smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=S(=O)(O)c1cc(O)c2c(O)cc(S(=O)(=O)O)cc2c1 1532215 HLVXFWDLRHCZEI-UHFFFAOYSA-N 320.300 0.744 0 50 DCAA biogenic,in-vivo NS(=O)(=O)c1ccc(NC(=O)CSc2ncn[nH]2)cc1 4603751 STPZUUYFRHSOLM-UHFFFAOYSA-N 313.364 0.183 0 50 DCAA CCCc1cc(C(=O)N2CCC[C@@H](C(=O)NCCCO)C2)[nH]n1 55414166 JXDFYIFIJCOLRY-GFCCVEGCSA-N 322.409 0.713 0 50 DCAA O=C(c1ccsc1)N1C[C@H](O)[C@@H](N2CCC(CO)CC2)C1 72424495 GYKKTJHZDDLQFL-KBPBESRZSA-N 310.419 0.638 0 50 DCAA CC[C@H]1c2cccn2CCN1C(=O)Cn1cc(C)c(=O)[nH]c1=O 72438373 SVLOWMDKDQOBDV-LBPRGKRZSA-N 316.361 0.640 0 50 DCAA COc1ccccc1CN1CCN(C(=O)[C@@H]2COCCO2)CC1 76227303 GQDOLKWENVNHGE-INIZCTEOSA-N 320.389 0.755 0 50 DCAA COCc1noc(CCNC(=O)c2cnc(N(C)C)nc2C)n1 95357418 PNKUPSUAOWNZHU-UHFFFAOYSA-N 320.353 0.353 0 50 DCAA CC(C)=CC(=O)N1CCN(Cc2cnn(C)c2C)C[C@H](O)C1 97394397 YCMAUKNGPMIGMA-HNNXBMFYSA-N 306.410 0.700 0 50 DCAA N[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 122414341 UDLUSDFPRTZCHE-LBPRGKRZSA-N 323.418 0.925 0 50 DCAA CCOc1ccc(OCCNC(=O)CN(C)C[C@H](C)O)cc1 131273697 SEJHFXLDEZKBGI-ZDUSSCGKSA-N 310.394 0.893 0 50 DCAA O=C1[C@@H](Nc2ncc(Br)cn2)CCCN1CCO 133178588 GBBLBLQEXDKYBE-VIFPVBQESA-N 315.171 0.634 0 50 DCAA CN1CCO[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 174373172 NLJWUZADADQGDZ-HNNXBMFYSA-N 307.369 0.805 0 50 DCAA O=C(NCCCn1cccn1)N1CCN(C[C@@H]2CCOC2)CC1 175723806 TUGIPTQJCVIHGK-HNNXBMFYSA-N 321.425 0.637 0 50 DCAA O=C(N[C@@H]1CCOC1)c1cccc(S(=O)(=O)NC2CC2)c1 179049784 CDESOFPUZQBBAG-GFCCVEGCSA-N 310.375 0.646 0 50 DCAA CNc1ncc(CN(C)c2nccc(N3CC[C@@H](O)C3)n2)cn1 216470329 VFJXWJNEIQIGQC-GFCCVEGCSA-N 315.381 0.516 0 50 DCAA CN(CC(=O)N(C)CC1(CO)CCOCC1)Cc1ccccn1 222406527 ZXXIMVZRQOBEDG-UHFFFAOYSA-N 321.421 0.761 0 50 DCAA Cc1nc([C@@H](C)NC(=O)c2cn(C)c(=O)[nH]c2=O)c(C)s1 222585864 RYNWTOJRVZXIOO-ZCFIWIBFSA-N 308.363 0.638 0 50 DCAA COC(=O)c1ncsc1S(=O)(=O)N[C@@H]1CCCN[C@@H]1C 239882225 DAOZRIMHJKOTOH-HTQZYQBOSA-N 319.408 0.349 0 50 DCAA Cn1nccc1N1CCC[C@@H](NC(=O)[C@@]2(C)CCC(=O)NC2)C1 253394830 ASANBEWOGLKCAN-WBMJQRKESA-N 319.409 0.421 0 50 DCAA Cc1nc([C@@H]2CCCN2C(=O)CN2CCOCC2=O)cs1 280436168 JYKFCXLUYSVHLQ-LBPRGKRZSA-N 309.391 0.974 0 50 DCAA C[C@@H]1CN(CC(=O)N2CCc3ccccc3C2)C[C@H]1C(N)=O 286379483 ZFJADBOLNDOTQQ-IUODEOHRSA-N 301.390 0.625 0 50 DCAA NC[C@H]1CCN(C(=O)c2cccc(CN3CCOCC3)c2)C1 299740267 XSWKMTAAOPHRNC-OAHLLOKOSA-N 303.406 0.940 0 50 DCAA Cn1nc(CC(=O)N2CC[C@@H](C(=O)O)C2)c2ccccc2c1=O 299744260 RMTSUXWSVPPPKG-SNVBAGLBSA-N 315.329 0.409 0 50 DCAA Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCOC[C@H]1C(=O)O 299750061 MOEKBKJRWYVSIB-ZANVPECISA-N 309.366 0.528 0 50 DCAA COC(=O)CCNC(=O)c1nn(CC2CC2)c2c1CNCC2 299773730 FKFSEIYZLACWGK-UHFFFAOYSA-N 306.366 0.232 0 50 DCAA COC(=O)[C@@H]1C[C@H](NC(=O)c2cc(OC)cc(OC)c2)CN1 299795604 LTBICANWRZJHFF-GWCFXTLKSA-N 308.334 0.337 0 50 DCAA Cc1cc(CC(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)on1 299800225 WFNHJASUQBUJPY-STQMWFEESA-N 303.322 0.489 0 50 DCAA Cn1ncc2c(N)nc(N3CC[C@@H](Oc4cccnc4)C3)nc21 302890090 PEXDAYHLZHIPKN-LLVKDONJSA-N 311.349 0.998 0 50 DCAA CN(C)C(=O)N1CCC(C(=O)NCC2(C(=O)O)CCC2)CC1 317094808 DUCHNOBWPMYOFW-UHFFFAOYSA-N 311.382 0.751 0 50 DCAA CN(CC(=O)O)[C@H]1CN(C(=O)c2cc3ccccc3o2)C[C@H]1O 328604667 KTRSFZWKLORJGU-NWDGAFQWSA-N 318.329 0.635 0 50 DCAA CN(Cc1cc(=O)n2[nH]cnc2n1)Cc1cnc2ccccn12 334159653 KAXGDLIXYSDZSW-UHFFFAOYSA-N 309.333 0.697 0 50 DCAA CC1(C)CN(S(=O)(=O)c2cnc[nH]2)C[C@]2(CCOC2)O1 373680275 IZIHLHXPEIWNOO-LBPRGKRZSA-N 301.368 0.368 0 50 DCAA CN(Cc1n[nH]c2c1CCCC2)C(=O)[C@@H]1CCS(=O)(=O)C1 426388622 YUACEXSJWVKYPO-SNVBAGLBSA-N 311.407 0.682 0 50 DCAA O=C(NCCc1cnc[nH]1)N1CCCC[C@@H]1CN1CCOCC1 426490220 QAXKSMQQYCMGIK-OAHLLOKOSA-N 321.425 0.849 0 50 DCAA CCS(=O)(=O)CCNC(=O)N1CCC[C@H]1c1nc(C)no1 584896426 YRWWIFUFKJCVNH-JTQLQIEISA-N 316.383 0.659 0 50 DCAA OC[C@H]1C[C@@H](O)CN1c1nccc(N2Cc3ccccc3C2)n1 624070109 BSBWYXNLHXOZJT-HUUCEWRRSA-N 312.373 0.929 0 50 DCAA C[C@]1(C(=O)Nc2ccc(N3CCOCC3)cn2)CCNC1=O 635196672 SAKQHPQQDZXLLT-HNNXBMFYSA-N 304.350 0.383 0 50 DCAA COC[C@]1(C(N)=O)CCCN1C(=O)c1ccnc2ccncc12 644059445 ZBCWFMHIZCQKOD-INIZCTEOSA-N 314.345 0.736 0 50 DCAA CC1(C)NC(=O)CC[C@H]1NC(=O)Cc1ccc2c(c1)NC(=O)C2 670001062 BDJJDDZIFOLWDY-CYBMUJFWSA-N 315.373 0.897 0 50 DCAA O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)C1CCN(C2CC2)CC1 818524919 BOGQKKBUFCOVHQ-BBWFWOEESA-N 321.465 0.965 0 50 DCAA CC(=O)N[C@@H](C)c1nc(CC(N)=O)nn1-c1cccc(F)c1 820585269 UDLCHGLQOWOHBB-QMMMGPOBSA-N 305.313 0.631 0 50 DCAA CCCn1nccc1S(=O)(=O)NCCN1CCCCC1=O 823033409 VGOVMHUPUGANSZ-UHFFFAOYSA-N 314.411 0.584 0 50 DCAA CO[C@@]1(C(=O)O)CCCN(S(=O)(=O)c2cncc(F)c2)C1 871772827 WCWCHWZKTXBVPE-LBPRGKRZSA-N 318.326 0.475 0 50 DCAA COc1cccc2c1CC[C@@]2(N)C(=O)NCC1CCNCC1 911673164 SDDMRSNWODSULZ-KRWDZBQOSA-N 303.406 0.911 0 50 DCAA Cc1noc(CN2CCC(CNC(=O)Cn3cccn3)CC2)n1 952971835 YJMANKWVPAXUPC-UHFFFAOYSA-N 318.381 0.603 0 50 DCAA O=C(O)C[C@@H]1CN(C(=O)c2cncs2)C[C@@H]1c1cnn[nH]1 1076030659 GGPSQJLYEBCXKY-SFYZADRCSA-N 307.335 0.592 0 50 DCAA CN(C)S(=O)(=O)C[C@@H]1CN(C(=O)c2cccs2)C[C@H]1O 1529093997 FOUCSOMCSCOJCK-VHSXEESVSA-N 318.420 0.072 0 50 DCAA C[C@]1(O)CCN(C(=O)c2ccc3nc(CO)[nH]c3c2)C[C@H]1O 1565526841 ONUUMGCBPMWGEZ-DOMZBBRYSA-N 305.334 0.013 0 50 DCAA CN(CCCNS(=O)(=O)[C@H]1COC[C@@H]1O)c1ccccc1 1615058282 QZSLIUZREMXMNO-KBPBESRZSA-N 314.407 0.192 0 50 DCAA Cc1cc(C(=O)NCCS(N)(=O)=O)c(-n2cccc2)s1 1615590067 IKZLBWIZGFAUEQ-UHFFFAOYSA-N 313.404 0.866 0 50 DCAA Cn1c(O)nc(N2CC[C@H](NC(=O)c3ccccc3)C2)cc1=O 1616032347 LXUCSVGDRNNKIV-LBPRGKRZSA-N 314.345 0.495 0 50 DCAA O=S(=O)(C1Cc2ccccc2C1)N1CC(c2nc[nH]n2)C1 1775999660 VZFPNIUNBJUZSJ-UHFFFAOYSA-N 304.375 0.701 0 50 DCAA c1nc2[nH]cnc(NCCc3cn([C@H]4CCOC4)nn3)c-2n1 1875318778 WDHDJCFFILBYSL-JTQLQIEISA-N 300.326 0.512 0 50 DCAA COc1cccc2nc(N3C[C@@H](O)[C@H](CC(N)=O)C3)ccc12 1875398635 ZQZSFKJELGBYHA-ZWNOBZJWSA-N 301.346 0.916 0 50 DCAA CCOC(=O)c1cn(C)nc1Cn1cnc2[nH]ccc2c1=O 2325788899 QCUWIAHANRVPPD-UHFFFAOYSA-N 301.306 0.683 0 50 DCAA CCOC(=O)N1CCN(C(=O)[C@H](C)NC(=O)c2ccco2)CC1 6746531 RASGOKZZIQLSRQ-NSHDSACASA-N 323.349 0.699 0 50 DCAA CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCn1ccnn1 347172275 SLXLPZNGUZPSTC-HZSPNIEDSA-N 308.382 0.711 0 50 DCAA CCOc1ccc(N2C(=O)C[C@H](NCC(=O)OC)C2=O)cc1 100566636 GUKWKFGUBWNPRM-LBPRGKRZSA-N 306.318 0.480 0 50 DCAA CN1C[C@@H](c2n[nH]c(=O)n2CCc2ccccc2F)CC1=O 65406739 VUWFHLAVRLWNJR-NSHDSACASA-N 304.325 0.899 0 50 DCAA O=C(O)CN1CCC(c2n[nH]c(=O)n2Cc2ccccc2)CC1 67851284 NOZJZCFNORYEHT-UHFFFAOYSA-N 316.361 0.884 0 50 DCAA COC(=O)[C@H]1C[C@@H](O)CCN1Cc1ccc(-n2cncn2)cc1 65427363 HLBXQHCUOFRPCG-LSDHHAIUSA-N 316.361 0.766 0 50 DCAA Cn1c(=O)n(C)c2cc(CNC(=O)C(=O)c3ccco3)ccc21 67489685 ASPBUXWYOJUUHQ-UHFFFAOYSA-N 313.313 0.969 0 50 DCAA CC(C)(C)[C@H](NC(=O)Nc1ccc(C(N)=O)c(F)c1)C(N)=O 170591709 ARBWWIUYTWUAPU-SNVBAGLBSA-N 310.329 0.946 0 50 DCAA Cc1cc(NC(=O)[C@H](C)N2CCO[C@@H](c3nc(C)n[nH]3)C2)on1 229284630 PYFMZJXHUPFYDP-GXSJLCMTSA-N 320.353 0.810 0 50 DCAA CN(C)c1cc(C(=O)N2C[C@@H](O)[C@H](CO)C2)c2ccccc2n1 424061971 UNSAIJXQPCQQJJ-XHDPSFHLSA-N 315.373 0.726 0 50 DCAA C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1ncn(C(C)(C)C)n1 329750295 UXTPIAIAXWUDFQ-STQMWFEESA-N 321.425 0.968 0 50 DCAA Cc1nn(C)c2ncnc(N(C)C[C@@H](C)N3CCOCC3)c12 72423388 DZZADMURVGPWEZ-LLVKDONJSA-N 304.398 0.829 0 50 DCAA O=C(C[C@H]1COCCN1)N1CCC(Nc2ccccn2)CC1 72161581 RXSNAKUBBWWWKQ-AWEZNQCLSA-N 304.394 0.863 0 50 DCAA CC(C)N1CCN(C2CCN(C(=O)C3(O)CCC3)CC2)CC1 363695706 BQLHWDRMJVMSCG-UHFFFAOYSA-N 309.454 0.918 0 50 DCAA CNC(=O)c1cc(S(=O)(=O)N[C@](C)(CN)C(C)C)cn1C 155955217 VZYFKIRPOGFKJM-CYBMUJFWSA-N 316.427 0.036 0 50 DCAA CN1C(=O)CN(NC(=O)[C@@]2(N(C)C)CCc3ccccc32)C1=O 370358631 QHHWMFZSNLRFOJ-MRXNPFEDSA-N 316.361 0.315 0 50 DCAA O=C(O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCO1 262027929 YKYYPDUAWBTIQL-JQWIXIFHSA-N 310.350 0.090 0 50 DCAA CC(C)(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)O 262953374 LLXJMUYBLADWRO-HOSYDEDBSA-N 317.407 0.911 0 50 DCAA O=C(O)C[C@H]1CN(C(=O)CN2Cc3ccccc3C2=O)CCO1 262869475 XLDSIZYSCUABDI-LBPRGKRZSA-N 318.329 0.345 0 50 DCAA CC1=C(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@H]32)Cn2nnnc2N1C 241897331 TXSOUVVKQJCZOP-NWANDNLSSA-N 322.372 0.851 0 50 DCAA O=C(Cn1ccc([C@@H]2CCCNC2)n1)N1CCc2nc[nH]c2C1 426420024 UBDWSXDPTKCNDD-GFCCVEGCSA-N 314.393 0.658 0 50 DCAA Cn1nc([C@@H]2CCCN2CC(=O)Nc2nccs2)nc1N 284258908 LYEJRTJBELAUJO-QMMMGPOBSA-N 307.383 0.629 0 50 DCAA N[C@H]1C[C@@H](C(=O)O)N(C(=O)CCc2nc(-c3ccco3)no2)C1 82083453 RKLLDIXEHWGSNI-IUCAKERBSA-N 320.305 0.275 0 50 DCAA Cc1cnc(CNC(=O)Cc2ccc(-n3nnnc3C)cc2)[nH]1 426465426 HLDMRYYQHJVSTI-UHFFFAOYSA-N 311.349 0.861 0 50 DCAA O=C(N[C@H]1C=CS(=O)(=O)C1)c1cnn(-c2ccccc2)c1 96133389 DSTWTQSDVZHZNS-LBPRGKRZSA-N 303.343 0.913 0 50 DCAA CN[C@@H](CO)C(=O)N1CCC2(CCC(=O)N(C3CCC3)C2)CC1 91444587 UNKFFYZEGFDDIS-AWEZNQCLSA-N 323.437 0.350 0 50 DCAA CS(=O)(=O)N1CC[C@]2(CCCN(C3CCOCC3)C2=O)C1 91769579 FKZALNXJIKXNQP-CQSZACIVSA-N 316.423 0.440 0 50 DCAA CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)C1CN(C(C)=O)C1 291619153 IEMQFHXKDSGMOL-AWEZNQCLSA-N 301.346 0.169 0 50 DCAA CSCc1noc(CN2CCc3[nH]nc(C(=O)O)c3C2)n1 244708238 KPWTUHROQZQEDK-UHFFFAOYSA-N 309.351 0.912 0 50 DCAA CN1CCO[C@H](CNS(=O)(=O)CCOc2ccccc2)C1 289280439 FLNLGZPKJSOTET-CQSZACIVSA-N 314.407 0.315 0 50 DCAA CSCC(=O)N1CCC(CNC(=O)c2cncn2C)CC1 824881438 UFJGRRVDJWGGLC-UHFFFAOYSA-N 310.423 0.752 0 50 DCAA Cc1csc(S(=O)(=O)NC[C@@H]2CN(C)C(=O)CO2)c1 823755826 YXXKKKXTYVNFAE-SECBINFHSA-N 304.393 0.192 0 50 DCAA CCc1cc2c(=O)n(CCS(=O)(=O)NC)cnc2s1 584886766 NYESOQDFPHQSAW-UHFFFAOYSA-N 301.393 0.570 0 50 DCAA CC1=NO[C@](C)(C(=O)NCc2cccnc2-n2cncn2)C1 670444998 CJMWPWVUUGYSSQ-AWEZNQCLSA-N 300.322 0.833 0 50 DCAA CO[C@@H](C)C(=O)N1CCC(CNC(=O)CN2CCCC2)CC1 952972972 VUZBAWVEVUDVPR-ZDUSSCGKSA-N 311.426 0.472 0 50 DCAA CC(C)(CNCCN1CCCC[C@H]1CO)CN1CCOCC1 952970245 KCBPOURUMWTIAJ-INIZCTEOSA-N 313.486 0.781 0 50 DCAA O=C(CN1CCOc2ccccc2C1)N[C@H]1COCC[C@@H]1O 1565507425 FUFWFJGGRXJPAF-KBPBESRZSA-N 306.362 0.147 0 50 DCAA CO[C@@H]1COCC[C@@H]1CC(=O)NS(=O)(=O)CC1CCC1 408491234 GPQCAWFHGTZWJG-VXGBXAGGSA-N 305.396 0.674 0 50 DCAA CC(C)NS(=O)(=O)c1cccnc1N1CCS(=O)CC1 573539457 FYOITDLEQLJZAI-UHFFFAOYSA-N 317.436 0.337 0 50 DCAA CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1c(C)nn(C)c1C 192910425 PGVKRAMITNWISW-LLVKDONJSA-N 314.411 0.326 0 50 DCAA C[C@@H]1CN(C(=O)c2csc(-c3ncccn3)n2)CC(=O)N1C 669747870 SFJADAQSBXGDAD-SECBINFHSA-N 317.374 0.903 0 50 DCAA CC(C)(C)CS(=O)(=O)NC(=O)CCC(=O)N1CCOCC1 733056112 SZSSEPWPQICXQL-UHFFFAOYSA-N 320.411 0.118 0 50 DCAA CC[C@H](C)NC(=O)CN1C[C@H](C(=O)OC)[C@@H](c2cncn2C)C1 1615614974 LPVCSETXKMIHLU-AVGNSLFASA-N 322.409 0.523 0 50 DCAA CN1C[C@@H]2C[C@H](N(C)C(=O)c3coc(CN)n3)C[C@@H]2CC1=O 1529191961 KWTNOAYSUROIAE-OUAUKWLOSA-N 306.366 0.462 0 50 DCAA O=C(N[C@H]1CCN(C(=O)c2cc[nH]c2)C[C@@H]1O)c1ccccn1 212516783 NCJKGMSSHMIGMN-JSGCOSHPSA-N 314.345 0.415 0 50 DCAA Cc1cc(S(=O)(=O)N2CC[C@@H](O)[C@@H](C(=O)O)C2)c(C)s1 1704344433 QDIHKWXNBPLTKH-VHSXEESVSA-N 319.404 0.821 0 50 DCAA 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DCAA CN(C)C(=O)NCC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1704297155 IWNVYWRVBUGGAS-CHWSQXEVSA-N 306.366 0.027 0 50 DCAA CO[C@@H](CNC(=O)c1cc(Cl)c2c(c1)OCO2)C(=O)O 227264783 WJQLRVYLNFIPIU-VIFPVBQESA-N 301.682 0.898 0 50 DCAA CNC1CCN(S(=O)(=O)c2cc(Cl)cnc2N)CC1 237100625 OTZLNLRZPCGCQC-UHFFFAOYSA-N 304.803 0.690 0 50 DCAA Cc1ccc(C(=O)NC(=S)NCCN2CCOCC2)cc1 19883419 MLZRBVVWHVXESI-UHFFFAOYSA-N 307.419 0.932 0 50 DCAA OC[C@H]1O[C@@H](Oc2cccc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O 5234418 CVAOQMBKGUKOIZ-IBEHDNSVSA-N 306.314 0.019 0 50 DCAA biogenic,in-vitro O=S(=O)(N[C@H]1CC[C@H](O)CC1)c1cnn([C@@H]2CCOC2)c1 328729466 HJKNRMZOACCFLX-IJLUTSLNSA-N 315.395 0.426 0 50 DCAA CC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCO3)C1 331975193 LMHJDSWVBBYUMD-CYBMUJFWSA-N 324.402 0.911 0 50 DCAA CS(=O)(=O)N1CCC[C@@H]1CNC(=O)C[C@@H]1CC[C@H]2C[C@@H]12 333523688 HNFMHSSTIIVBIS-WUHRBBMRSA-N 300.424 0.963 0 50 DCAA CCO[C@H]1C[C@@H](NC(=O)c2cc(C)ccc2S(N)(=O)=O)C1 457891427 WUMQTOUREMICJI-PHIMTYICSA-N 312.391 0.940 0 50 DCAA 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C=CC(=O)N(C)CC(=O)N1CC(O)(c2ccc(F)c(F)c2)C1 1875370541 SNAHQYOLZKYCRO-UHFFFAOYSA-N 310.300 0.639 0 50 DCAA C[C@@H](Cn1cc(C2CCCC2)nn1)NC(=O)C1(CO)COC1 1875323925 WPIHXQJIYGRAFG-NSHDSACASA-N 308.382 0.449 0 50 DCAA CN(C)C(=O)C[C@@H]1CN(Cc2c(F)cncc2N(C)C)C[C@H]1O 1875398198 GJAONGAQXBQSKO-IAQYHMDHSA-N 324.400 0.558 0 50 DCAA CO[C@@H]1CCN([C@H]2CCC[C@H]2N(C)C(=O)c2nnn(C)c2C)C1 886093745 GCQGXAYXZBCSJH-MCIONIFRSA-N 321.425 0.837 0 50 DCAA Cc1ccc(C(=O)O)c(N2CCN3[C@H](CCS3(=O)=O)C2)n1 2325804992 HRWGGYSIBXVGGW-SNVBAGLBSA-N 311.363 0.312 0 50 DCAA N[C@@]12CCOC[C@@H]1CN(C(=O)c1cnn(-c3ccncc3)c1)C2 2325809087 DNBVUKZKLQCHTN-XJKSGUPXSA-N 313.361 0.457 0 50 DCAA O=C(O)c1ccc(Cl)c(S(=O)(=O)N(CCO)CCO)c1 390543 LTYKKEDATQXSSZ-UHFFFAOYSA-N 323.754 0.014 0 50 DCAA Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H](C)C2)cc1 405409 JYFADIMTXBKXTG-LLVKDONJSA-N 303.405 0.803 0 50 DCAA COc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 4071310 CEIRLAPLCMSOEO-SECBINFHSA-N 305.377 0.161 0 50 DCAA 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303.362 0.769 0 50 DCAA COc1cccn(CC(=O)N(C)CCN2CCCCC2=O)c1=O 95527206 HPSCSVULZQBDDB-UHFFFAOYSA-N 321.377 0.328 0 50 DCAA CNC(=O)C[C@H](C)N(C)C(=O)c1cc(OC)cc(C(=O)O)c1 97579027 ZLEKRJDVLQBIAA-VIFPVBQESA-N 308.334 0.990 0 50 DCAA Cc1nccn1CCN(C)c1nccc(N2CC[C@@H](O)C2)n1 106270949 SNROZXAVZKLRTP-CYBMUJFWSA-N 302.382 0.689 0 50 DCAA CN(CCn1cccn1)C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 171880448 PDWNTUZIUJZQHD-NXEZZACHSA-N 318.299 0.799 0 50 DCAA Cn1c(Cn2cc(NC(=O)C(C)(C)C)cn2)cc(=O)n(C)c1=O 172712232 YFYXDDMPLQBLBN-UHFFFAOYSA-N 319.365 0.313 0 50 DCAA Cn1cnc(CNC(=O)N2CCN(CC(F)(F)F)CC2)n1 179676032 ROAZPJJVNMPRGQ-UHFFFAOYSA-N 306.292 0.205 0 50 DCAA O=C(Cc1cccc(O)c1)N[C@H]1COC[C@@H]1N1CCOCC1 218791900 ASSRNFRXXMLHBU-GJZGRUSLSA-N 306.362 0.151 0 50 DCAA CC(C)Cn1cncc1CNC(=O)[C@@H](C)NS(C)(=O)=O 223086134 BFMYWTMXAJVAHF-SNVBAGLBSA-N 302.400 0.093 0 50 DCAA Cc1cc(N)n(CC(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)n1 223242918 HDUYNUKWPNPFHI-OZVIIMIRSA-N 315.377 0.797 0 50 DCAA CCc1nsc(N2CCN(C(=O)[C@H]3CCC[C@H]3N)CC2)n1 237082723 NTKINNUHEQGRSO-WDEREUQCSA-N 309.439 0.877 0 50 DCAA Cc1cc(C(=O)N2CCC(CN)CC2)ccc1S(N)(=O)=O 237678177 DWNPBOKEXMMIIB-UHFFFAOYSA-N 311.407 0.453 0 50 DCAA CCn1c(CN(C)Cc2cnccn2)nnc1[C@H]1C[C@@H](N)C1 252519076 AWIMJROYXWVREQ-TXEJJXNPSA-N 301.398 0.925 0 50 DCAA CC(=O)N1CCN([C@@H]2CN(CC(=O)N3CCCC3)C[C@H]2C)CC1 257365901 BFMDOGMBRFWSQA-GDBMZVCRSA-N 322.453 0.093 0 50 DCAA O=C(O)CNC(=O)Cc1ccc(NC(=O)[C@@H]2CCCCO2)cc1 261889680 BTFXVQLBPADMQO-ZDUSSCGKSA-N 320.345 0.938 0 50 DCAA O=C1C[C@H](C(=O)N2CCO[C@H](C(=O)O)C2)c2ccc(F)cc2N1 262455765 XCHGAALUHSVQIJ-JQWIXIFHSA-N 322.292 0.564 0 50 DCAA CCC(=O)N1CC[C@H](NC(=O)N2C[C@@H](C)C[C@H](C(=O)O)C2)C1 263347971 PATNURHOJYTUIR-SRVKXCTJSA-N 311.382 0.750 0 50 DCAA CNC(=O)c1ccc(CN[C@H]2COC[C@H]2n2ccnn2)cc1 284482492 BATFDAJXUGZKDB-UONOGXRCSA-N 301.350 0.367 0 50 DCAA COc1ccnc(N2CCC(C(=O)N(C)CCC(=O)O)CC2)n1 299749819 LSUMUMGZYXZRFV-UHFFFAOYSA-N 322.365 0.635 0 50 DCAA 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0 50 DCAA CS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN2CCCC[C@@H]12 229713959 HCSCPAIDTALWEC-FRRDWIJNSA-N 315.439 0.153 0 50 DCAA O=C(NC1CC1)c1noc([C@@H]2CCCN2CCn2cccn2)n1 328625893 DQSXCJOYZSCOQH-LBPRGKRZSA-N 316.365 0.995 0 50 DCAA O=C(O)[C@@H]1CN(C(=O)CCc2ccc3c(c2)OCO3)CCN1 71757263 XEGXXMWBLOWYCM-NSHDSACASA-N 306.318 0.233 0 50 DCAA CCc1c(C(=O)NC[C@](C)(O)CSC)[nH]c(C)c1C(N)=O 124733892 FMQAINCKPJTQJW-AWEZNQCLSA-N 313.423 0.828 0 50 DCAA CN(C)CCN1C[C@H](C(=O)NCCc2cscn2)CC1=O 73475404 WUALWJPXIGEKRP-LLVKDONJSA-N 310.423 0.212 0 50 DCAA CNS(=O)(=O)C1CCN(C(=O)c2cn3ccccc3n2)CC1 332260609 SWTRMGNIKCWFGC-UHFFFAOYSA-N 322.390 0.488 0 50 DCAA O=S(=O)(N[C@H](CO)[C@@H]1CCCOC1)N1CCCCCC1 332347883 OTEWLWIMLGIPSL-CHWSQXEVSA-N 306.428 0.484 0 50 DCAA O=C(CCCn1cnnn1)N[C@@H]1COCC[C@@H]1OCC1CCC1 219035523 ZPOYVRHHQDQDQW-KGLIPLIRSA-N 323.397 0.544 0 50 DCAA CCOC1CC(O)(CNC(=O)c2nn(C)c3c2CCCC3)C1 451210987 HVABGNKFTTZUPW-UHFFFAOYSA-N 307.394 0.959 0 50 DCAA CN(C)S(=O)(=O)CCN[C@]1(CO)CCOc2ccccc21 375685112 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O=C1C=C(C2=C3OCCN=C3NC=N2)CCN1CC(F)(F)F 2325799745 VSOMAHTYVCZYCX-UHFFFAOYSA-N 314.267 0.979 0 50 DCAA COc1ccc(S(=O)(=O)NCC(=O)NC2CC2)cc1Cl 36105243 KTKOLLMGXFCFBE-UHFFFAOYSA-N 318.782 0.906 0 50 DCAA CCN(Cc1ccncc1)C(=O)[C@@H]1CCCN(CC(N)=O)C1 55308899 UYDGUZPQNCQLQA-CQSZACIVSA-N 304.394 0.627 0 50 DCAA CN1[C@H]2CC[C@@H]1CN(C(=O)CCc1cc3n(n1)CCNC3)CC2 72433446 ALOWVFKIJBJVIS-LSDHHAIUSA-N 317.437 0.614 0 50 DCAA OC[C@@H](O)Cn1cc(-c2ccc(Oc3ncccn3)cc2)nn1 91503904 ZDSCOPSDMGRNLF-LBPRGKRZSA-N 313.317 0.881 0 50 DCAA CN(C)[C@H]1CN(C(=O)C2(C(N)=O)CC2)C[C@@H]1c1ccccc1 91657338 NHVQJNFJDXXXTH-KGLIPLIRSA-N 301.390 0.808 0 50 DCAA Nc1ncccc1CN1CCN(C(=O)c2ccc[nH]2)C[C@H](O)C1 97324068 BORTWAWVKNNZJJ-CYBMUJFWSA-N 315.377 0.311 0 50 DCAA CC1(C)NC(=O)N(CCN2CCCC[C@@H]2c2nc[nH]n2)C1=O 121784144 JYVIJIYTGIZGNC-SNVBAGLBSA-N 306.370 0.662 0 50 DCAA CN[C@H]1CCCN(C(=O)CCn2cnc3ccccc3c2=O)C1 133741269 JLQZWDZOYVXEMP-ZDUSSCGKSA-N 314.389 0.997 0 50 DCAA CNC(=O)c1cncc(/C=C/C(=O)N2CCC[C@@H](NC)C2)c1 151039705 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0.467 0 50 DCAA Cn1cc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H](n3ccnn3)C2)cn1 333336252 XDGFTAAEOYXHDN-HZSPNIEDSA-N 300.366 0.979 0 50 DCAA CCN1CCN([C@H]2CCN(C(=O)Cc3ccncc3)C2)CC1 355145600 VFPQOEWWUJXFRK-INIZCTEOSA-N 302.422 0.863 0 50 DCAA CNC(=O)COc1cccc(CC(=O)N2CCOCC[C@@H]2C)c1 367644641 LPAYJVSDLFYCNN-ZDUSSCGKSA-N 320.389 0.991 0 50 DCAA Cc1cc(O)nc(NCCNC(=O)C2(C)CCN(C)CC2)n1 426505917 VJWDGEBZHFTPNV-UHFFFAOYSA-N 307.398 0.751 0 50 DCAA NCCOc1ccc(Cl)cc1C(=O)NCCn1cnnc1 426674036 AQNBTQMIEIHDSY-UHFFFAOYSA-N 309.757 0.699 0 50 DCAA COC(=O)[C@H]1CCn2c(nnc2C(=O)Nc2ccccn2)C1 601045837 YSULKSXCKMSPMD-VIFPVBQESA-N 301.306 0.661 0 50 DCAA CC(C)[C@@H]1C[C@H]1CNC(=O)N1CC[C@H](n2cc(C(N)=O)nn2)C1 644510646 ZESVTLQFXHBPGZ-SRVKXCTJSA-N 320.397 0.626 0 50 DCAA CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cc(OC)no2)C1 648627560 QLECPNMTZUMSNU-NSHDSACASA-N 321.255 0.824 0 50 DCAA CN(C)CC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 663020458 XMQOVZFVGKEONO-CYBMUJFWSA-N 320.441 0.087 0 50 DCAA COCCC(=O)N1CCC(Nc2ccnc(N(C)C)n2)CC1 676031009 YBAHEPDGSOTXJW-UHFFFAOYSA-N 307.398 0.982 0 50 DCAA COC[C@H]1CCCN1S(=O)(=O)N1CCCN(C(C)C)CC1 824370938 DSVZOEKMBQBQKM-CQSZACIVSA-N 319.471 0.758 0 50 DCAA CCn1cc(C(=O)N(C)C[C@H](O)CO)c(C2CCOCC2)n1 886089111 YACLARDPSVAJLV-LBPRGKRZSA-N 311.382 0.222 0 50 DCAA Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)o1 888099313 VPUPWLMTQJMFRF-GHMZBOCLSA-N 301.364 0.796 0 50 DCAA Cc1nc(C)c(C(=O)N(C)C[C@H]2OCC[C@H]2c2nc[nH]n2)[nH]1 952887652 BRJMSVLYAVPOFT-GHMZBOCLSA-N 304.354 0.789 0 50 DCAA CO[C@@H]1CCNC[C@@H]1NC(=O)CCn1cnc2ccccc21 1506400641 FMIMAVXYKAFAIP-DZGCQCFKSA-N 302.378 0.920 0 50 DCAA C[C@]1(O)CCN(C(=O)c2cccc(-n3cnnc3)c2)C[C@H]1O 1565506147 FJLQBMRVGMJONN-HIFRSBDPSA-N 302.334 0.225 0 50 DCAA O=C(Cn1ccccc1=O)N[C@H]1CCOC[C@@H]1OCC1CC1 1565506926 LLCFPYZESFKEEE-KBPBESRZSA-N 306.362 0.549 0 50 DCAA CN1CCn2nc(NC(=O)N3C[C@@H](N)C4(CCC4)C3)cc2C1 1775961262 LRRKOOPODYCHHO-GFCCVEGCSA-N 304.398 0.674 0 50 DCAA O=C(NC[C@H]1CC[C@@H]2CCC[C@@H]21)c1cc(-n2cnnn2)n[nH]1 1857678217 IVACKIPXDFKHPT-AXFHLTTASA-N 301.354 0.942 0 50 DCAA O=C(CCn1cnnc1)N1CCc2[nH]nc(C3CC3)c2CC1 1857709630 JKTXJTQVLUCELG-UHFFFAOYSA-N 300.366 0.896 0 50 DCAA Cc1cn(CC(=O)N2[C@H]3CCC[C@@H]2C[C@H](O)C3)c(=O)nc1O 2356134723 ZDRSQNKVGWUPAR-GDNZZTSVSA-N 307.350 0.162 0 50 DCAA CN(C)CCNC(=O)c1c(O)c2cccc3c2n(c1=O)CCC3 376792 CZJPSQZNTGPZCS-UHFFFAOYSA-N 315.373 0.945 0 50 DCAA biogenic COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc1OC 1236689 FDEWUQADCXNEKR-NSHDSACASA-N 308.334 0.479 0 50 DCAA CN1CC[C@@H](O)[C@H](C(=O)NCCCn2cc(Cl)cn2)C1 2356160209 INZVSYVRXHCLFB-VXGBXAGGSA-N 300.790 0.355 0 50 DCAA COc1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)cc1OC 4840241 NKZRHXFUNLNUKC-LLVKDONJSA-N 308.334 0.938 0 50 DCAA C/C=C/Cn1c(=O)c2c(nc3n(CCO)c(C)cn23)n(C)c1=O 9059858 BYDXQPASRJBULH-SNAWJCMRSA-N 317.349 0.026 0 50 DCAA O=C(NC[C@H](O)CN1CCOCC1)C1(C(F)(F)F)CCCC1 416135850 KXFQRQXQLWZVGJ-NSHDSACASA-N 324.343 0.918 0 50 DCAA CCc1nc(C)c(CN2CCC(NS(C)(=O)=O)CC2)[nH]1 65525539 YDBCCIDHMZOCCT-UHFFFAOYSA-N 300.428 0.794 0 50 DCAA Cc1c(-c2cc(F)c3c(c2)C[C@@H](CN)O3)c(=O)n(C)c(=O)n1C 67679378 IFKNJVDDXWSGSH-NSHDSACASA-N 319.336 0.461 0 50 DCAA CN(C)CCCN(C)C(=O)[C@H]1CC[C@@H](NC(=O)c2ncn[nH]2)C1 72435924 MTIZPBWJLLVULH-NWDGAFQWSA-N 322.413 0.113 0 50 DCAA O=C(NCc1ccc(-n2cncn2)cc1)[C@@H]1NCCc2[nH]cnc21 72432007 VPDIOEHNHYZLDM-OAHLLOKOSA-N 323.360 0.494 0 50 DCAA Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)Nc1nnn[nH]1 218529049 PQTPLRMKKNLFFL-SNVBAGLBSA-N 318.337 0.410 0 50 DCAA CC(=O)N1CSC[C@H]1C(=O)N1CCC(n2cncn2)CC1 120362998 JPYLBPUKKGWXMU-LBPRGKRZSA-N 309.395 0.363 0 50 DCAA Cc1ccc(N2CC[C@@H](NC(=O)c3ccccn3)[C@H](O)C2)nn1 77303667 MVDXNGMUPKSDIE-TZMCWYRMSA-N 313.361 0.550 0 50 DCAA CCOCCn1nc(C)cc1C(=O)N1CCOC[C@@H](CO)C1 77419737 MJMFHEGTHKQPNZ-CYBMUJFWSA-N 311.382 0.309 0 50 DCAA COc1cccc(CCCN2C[C@H](N(C)CC(=O)O)[C@H](O)C2)c1 328602784 CYIFHPKPHFNPBB-JKSUJKDBSA-N 322.405 0.689 0 50 DCAA CCc1nnc(CNC(=O)[C@H]2CC3(CCNCC3)CN2C)s1 72427238 QBZAQAUSSQIASV-LLVKDONJSA-N 323.466 0.791 0 50 DCAA COCCN1CCC(NC(=O)c2cc(=O)c(OC)co2)CC1 330370376 FEMDPCPJIMEZSB-UHFFFAOYSA-N 310.350 0.489 0 50 DCAA COc1cccc2c1OCCCN(C[C@]1(O)CNCCOC1)C2 77505882 ZGRWFIQWVVGQKU-QGZVFWFLSA-N 322.405 0.631 0 50 DCAA CC(C)[C@@H]1CN(S(=O)(=O)N(C)C)CCC(=O)N1CC1CC1 71754279 COLMGQGHLJQQSU-ZDUSSCGKSA-N 317.455 0.762 0 50 DCAA COCC(=O)N1CCN(C)C[C@H]1c1nc(C2CCOCC2)n[nH]1 219620626 VMQHTKYNERFOTA-LBPRGKRZSA-N 323.397 0.160 0 50 DCAA CCNC(=O)CN1CCN(Cc2cnc(SC)nc2)CC1 72126395 FLUNXQFJWIZTJV-UHFFFAOYSA-N 309.439 0.452 0 50 DCAA Cc1onc(C(=O)NCCCc2nnc3ccccn23)c1CO 222839225 UDCOLHCSTYEUBI-UHFFFAOYSA-N 315.333 0.881 0 50 DCAA CSCC(=O)N[C@@H]1COCC[C@H]1Oc1ccc(C(N)=O)cc1 220359546 SXMXBLAQKVXNSC-CHWSQXEVSA-N 324.402 0.801 0 50 DCAA CCO[C@@H]1COCC[C@H]1NC(=O)c1cccc(-n2cnnc2)n1 222809151 WKUFWFLARVMWAH-DGCLKSJQSA-N 317.349 0.586 0 50 DCAA COC(=O)CNC(=O)Cn1nc(-c2ccccc2F)ccc1=O 49544538 PCXKVRALCWWAPE-UHFFFAOYSA-N 319.292 0.339 0 50 DCAA C[C@H](NC(=O)C(C)(C)N1CCCC1)c1n[nH]c(CC(=O)O)n1 426575193 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PMRJNNSOLPZSAE-LSDHHAIUSA-N 323.393 0.304 0 50 DCAA O=C(O)[C@@H]1CC(=O)N([C@H]2CCN(C(=O)OCC(F)(F)F)C2)C1 952876110 YOVRIQHIELLTAH-SFYZADRCSA-N 324.255 0.693 0 50 DCAA O=c1oc2ccccc2n1CCN1CCO[C@H](c2nn[nH]n2)C1 2100482629 MRUZKZFRHCOMDK-LBPRGKRZSA-N 316.321 0.181 0 50 DCAA O=C(N[C@@H]1C(=O)NCC12CCNCC2)c1cc2cnccc2[nH]1 2325786321 BOWZKANKJDCYPG-CYBMUJFWSA-N 313.361 0.161 0 50 DCAA CC(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)NCCC(=O)O 1811703 JTQSYXYEJIQZGU-IZZDOVSWSA-N 320.301 0.483 0 50 DCAA biogenic CN(C)S(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCO2)c1 2868509 WETGAAGHIZGJRO-GFCCVEGCSA-N 312.391 0.846 0 50 DCAA Cc1nc(N(C)C)ncc1C(=O)N1C[C@H]2CCC[C@H](C1)C(=O)N2 102704699 HCPKHJSHUVZZRG-VXGBXAGGSA-N 317.393 0.592 0 50 DCAA CC(C)Cn1cncc1CNC(=O)[C@H]1CCCN(CC(N)=O)C1 55089935 YAHFHEBJFZHLJX-ZDUSSCGKSA-N 321.425 0.353 0 50 DCAA CCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1cccn1-c1ncccn1 67714717 YUUMPHPERPFSIC-OCCSQVGLSA-N 314.393 0.305 0 50 DCAA CCCN(CCC)C(=O)[C@@]12CNC[C@@H]1CN(S(C)(=O)=O)C2 65385271 LMDODLDYCNLDGD-TZMCWYRMSA-N 317.455 0.116 0 50 DCAA CN(C)CCn1nc(C(=O)O)c2c1CCN(C(=O)C1CCC1)C2 67727195 VZSBUDNTAWCMBI-UHFFFAOYSA-N 320.393 0.828 0 50 DCAA CCOC(=O)c1cnc(-n2[nH]c3c(c2=O)CCCC3)[nH]c1=O 1857456 JMQKUBQDZZKADW-UHFFFAOYSA-N 304.306 0.304 0 50 DCAA CCN1CCN(C(=O)c2cc(OC)no2)C[C@H]1c1nccn1C 328630828 QGFRJHDDXSDFFJ-NSHDSACASA-N 319.365 0.936 0 50 DCAA CCN1CCN(C(=O)CS(=O)(=O)CC)C[C@H]1c1ncc[nH]1 328619551 GAMVWJDGJJLGHR-NSHDSACASA-N 314.411 0.050 0 50 DCAA Nc1cc(O)nc(CCNC(=O)Cn2ncc3ccccc32)n1 219473583 RQBVQORWBMUXET-UHFFFAOYSA-N 312.333 0.473 0 50 DCAA COc1ccc(C(=O)NC[C@@H]2CN(C)CCN2C)c(F)c1F 219347552 IXVBVGHOMPLDJE-SNVBAGLBSA-N 313.348 0.949 0 50 DCAA Cn1nccc1S(=O)(=O)N1C[C@@H](CO)Cc2ccccc21 366217952 PNUAMYMSHUQEBR-NSHDSACASA-N 307.375 0.780 0 50 DCAA CC(C)Oc1cccc2c1c(NC(=O)Cn1cnnn1)nn2C 77407485 JSNVBWGDOJVCIC-UHFFFAOYSA-N 315.337 0.986 0 50 DCAA C[C@@]1(C(=O)O)CCN(C(=O)c2ccccc2OCC(N)=O)C1 262150056 BIOLFYSMLLMKQS-OAHLLOKOSA-N 306.318 0.488 0 50 DCAA CN1CCN(c2cc(=O)n3ccccc3n2)C[C@H]1c1nccn1C 373679909 HOIOLTAFMPXKFN-ZDUSSCGKSA-N 324.388 0.921 0 50 DCAA O=C(O)[C@H]1CCCN(C(=O)Cn2ncc3ccccc3c2=O)C1 49550556 CYASIKPACPKGDW-LBPRGKRZSA-N 315.329 0.720 0 50 DCAA CN(C)C(=O)CN1CC[C@@H](NC(=O)c2ccccc2F)[C@H](O)C1 426581058 XIBXJHABSBXGLB-ZIAGYGMSSA-N 323.368 0.079 0 50 DCAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cc(C)on1)C2 91434475 SNRVNRDKXINJJV-NWDGAFQWSA-N 307.350 0.692 0 50 DCAA C[C@H]1CN(C(=O)c2cccc(CS(N)(=O)=O)c2)C[C@@H](C)N1 179149681 SZRYUUMEBGNMRQ-PHIMTYICSA-N 311.407 0.298 0 50 DCAA CO[C@@H]1CN(C(=O)c2cccc3nc[nH]c23)C[C@H]1c1cnn[nH]1 622167120 KZFWVMFUWYMENN-GXFFZTMASA-N 312.333 0.936 0 50 DCAA CCc1n[nH]c([C@@H]2CN(CC(=O)NC[C@H]3CCCO3)CCO2)n1 299754270 XBSPJVDFWVMMQH-NEPJUHHUSA-N 323.397 0.036 0 50 DCAA Cc1nn(C)c(C)c1CC(=O)N1CCC[C@H]1Cn1ccnn1 299744811 PZSPHMJLXLLKRK-ZDUSSCGKSA-N 302.382 0.862 0 50 DCAA O=C(O)[C@@H]1C[C@H]1C(=O)N1CCC(CN2CCCCC2=O)CC1 299752231 SYFUEPRPSWHEJU-CHWSQXEVSA-N 308.378 0.958 0 50 DCAA C[C@@H](Cn1cccn1)NC(=O)c1ncn([C@H]2CCCNC2)n1 299739882 SPGBZFOJOJJXQK-RYUDHWBXSA-N 303.370 0.218 0 50 DCAA CNS(=O)(=O)CCNC(=O)Nc1ccc2c(cnn2C)c1 299794725 NFXIAJFRZJSHOF-UHFFFAOYSA-N 311.367 0.244 0 50 DCAA C[C@H]1CN(CC(=O)NCCCn2ccccc2=O)C[C@@H](C)O1 299801917 ZDDIXVKSHCIVOG-OKILXGFUSA-N 307.394 0.464 0 50 DCAA CN(CC(=O)NCc1ccc2nc[nH]c2c1)C1CCNCC1 584899559 TZEKDLJJPBPPQP-UHFFFAOYSA-N 301.394 0.863 0 50 DCAA Cc1ccc2[nH]c(CN3C[C@H](CO)[C@@H](CO)C3)cc(=O)c2c1 1565528628 PPMPAKDVPRSOGX-CHWSQXEVSA-N 302.374 0.869 0 50 DCAA Cc1cc(S(=O)(=O)N2CCOC[C@@H]2C(=O)O)ccc1F 275180561 WMZOBLDCDXJQKK-LLVKDONJSA-N 303.311 0.608 0 50 DCAA CN(C[C@@H]1C[C@H](F)CN1CC(N)=O)C(=O)CCc1ccco1 275750761 QWXNBBCLSWVAGN-RYUDHWBXSA-N 311.357 0.568 0 50 DCAA C[C@@H]1C[C@H](N)CN1C(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F 638930813 MLQPVUPDLRNSTG-VPOLOUISSA-N 310.316 0.919 0 50 DCAA Cc1cnc([C@@H](NC(=O)C2=NN3CCCN=C3N2)C2CC2)s1 649341741 UQKVCIPBXVVBQC-JTQLQIEISA-N 318.406 0.997 0 50 DCAA CN(C)[C@]1(C)CCN(S(=O)(=O)c2cnn3c2OCCC3)C1 1615585995 OLBHMWOKYIJFHS-CYBMUJFWSA-N 314.411 0.380 0 50 DCAA COc1cc2c(cc1CN1CCOC[C@@H](C(=O)O)C1)OCCO2 1772812002 DZNYLWRYKCLIIG-LBPRGKRZSA-N 323.345 0.999 0 50 DCAA C[C@H]1CN2C[C@@H](NC(=O)Cn3nc4ccccc4n3)C[C@H]2CO1 1857709977 BKTMOTUFVINMKW-AVGNSLFASA-N 315.377 0.409 0 50 DCAA CCn1c(CNC(=O)[C@H]2C[C@@H](N)[C@H](O)C2)nc2ccccc21 1857726699 CRTDVQVNUWFSES-MISXGVKJSA-N 302.378 0.771 0 50 DCAA O=C(O)CCc1ccccc1C(=O)N1CCn2cnnc2C1 911355950 XKUNWPIJFVQQMZ-UHFFFAOYSA-N 300.318 0.951 0 50 DCAA COc1cc(F)c(C(=O)N[C@H]2CO[C@@H]3[C@H](O)CO[C@H]23)c(F)c1 1875243062 NZJQLVPEPMCMBK-XKAARJIMSA-N 315.272 0.230 0 50 DCAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CN1CSCC1=O 221720755 ORHDNQHWUOYFCX-VWYCJHECSA-N 312.391 0.764 0 50 DCAA O=C([C@@H]1CCCc2nn[nH]c21)N1CCOC[C@H]1[C@H]1CCCO1 614715756 GLEKYFKLRHBJTH-KGYLQXTDSA-N 306.366 0.631 0 50 DCAA Cn1cc([C@@H]2CN(S(=O)(=O)CC3CCC3)C[C@H]2CO)cn1 328624085 JQZHWXJGHDKMJN-KBPBESRZSA-N 313.423 0.558 0 50 DCAA Cc1ccccc1[C@@H](CC(=O)N1CCN[C@@H](C)C1)NC(N)=O 237608039 LASUMRJJNFQUQW-GXTWGEPZSA-N 304.394 0.915 0 50 DCAA Cc1n[nH]cc1S(=O)(=O)N[C@@H](Cc1ccncc1)C(=O)O 821252689 YNNMTJIWMIDAFS-JTQLQIEISA-N 310.335 0.087 0 50 DCAA C[C@H](CCS(C)(=O)=O)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1 247024350 ZNOGTDSTDOJKAD-XQHKEYJVSA-N 302.440 0.847 0 50 DCAA C[C@H](ONC(=O)[C@H]1CNC(=O)C[C@@]12CCOC2)c1ccncc1 1875297677 AFXAQLKHHVLFAI-NORZTCDRSA-N 319.361 0.733 0 50 DCAA CCc1ccccc1-n1cc(C(=O)NCCc2cnn[nH]2)nn1 1875273724 OQIAQNYBDYEUEH-UHFFFAOYSA-N 311.349 0.920 0 50 DCAA Cc1nnc(N2CCN(C(=O)c3cnn4c3CCC4)CC2)s1 1875274440 RSBSRUKPTHJCBN-UHFFFAOYSA-N 318.406 0.952 0 50 DCAA C=CC(=O)N1CCC(C(=O)NCCCc2nc(C)no2)CC1 1875369346 JLXIUVGKXMLZGB-UHFFFAOYSA-N 306.366 0.851 0 50 DCAA COCCn1ncc(C(=O)N[C@@]23CCCC[C@@H]2NC(=O)C3)c1C 891280164 KYDYIHSECNUKAQ-XJKSGUPXSA-N 320.393 0.769 0 50 DCAA CC(C)N1C[C@@H](C(=O)NCc2cccc(C(N)=O)c2)CC1=O 2325724067 SGCFBCCQOKDBND-ZDUSSCGKSA-N 303.362 0.659 0 50 DCAA O=C(Cc1ccc(F)cn1)N[C@@H]1C[C@@H](Cn2ccnc2)C[C@H]1O 2325786218 UYEWCOCYGNAWQT-KCPJHIHWSA-N 318.352 0.916 0 50 DCAA Cn1c(O)nc2ncn(Cc3cccc(OC(F)F)n3)c2c1=O 2325850101 LXFOZOFVRVNSEN-UHFFFAOYSA-N 323.259 0.880 0 50 DCAA COc1ccc(OC)c(NC(=O)CN2CCC(C(N)=O)CC2)c1 307079 POOGWUNWZKKKAP-UHFFFAOYSA-N 321.377 0.840 0 50 DCAA C[C@H](c1nnnn1-c1ccccc1)N1C[C@@H]2OCCN(C)[C@@H]2C1 221931752 GKKXFAURACPONY-YUELXQCFSA-N 314.393 0.738 0 50 DCAA Cc1nc(CCNC(=O)CCNS(C)(=O)=O)sc1C 177875201 LZWFQADNTDKORP-UHFFFAOYSA-N 305.425 0.358 0 50 DCAA O=C(CCC(=O)NC1CCCC1)NC[C@@H]1CCS(=O)(=O)C1 55393178 GXEGOKXMKOMWHG-NSHDSACASA-N 316.423 0.376 0 50 DCAA Cn1ccnc1C(=O)N1CCC[C@H](Cn2cc(CN)nn2)C1 23379691 UENPNWVSYXAOND-NSHDSACASA-N 303.370 0.023 0 50 DCAA Cc1noc(-c2ccnc(N3CCN(C)[C@@H](C(=O)O)C3)c2)n1 106687498 VEDGVGFBVBKYMS-LLVKDONJSA-N 303.322 0.645 0 50 DCAA C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccc(C(N)=O)c1 246837207 CXARFAHOHLXJRA-AAEUAGOBSA-N 323.418 0.643 0 50 DCAA CCn1cc(C(=O)NCC[C@H](C)N2CCN(C)CC2)c(C)n1 216158554 KSGARQOEVUCBIJ-ZDUSSCGKSA-N 307.442 0.967 0 50 DCAA Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2cc(F)c[nH]2)cn1 349619123 XQPILZRBVIGJER-GTJPDFRWSA-N 310.354 0.833 0 50 DCAA CCn1c(CC2CCN(C[C@H]3CCOC3)CC2)nn(C)c1=O 67788718 PTPGWTCEMTWUEE-CQSZACIVSA-N 308.426 0.893 0 50 DCAA C[C@H](C(=O)NC1=NCCS1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 252457397 FGKNYHBWMACBRP-OPRDCNLKSA-N 307.375 0.545 0 50 DCAA CC1CCN(C[C@H](O)CN2CCO[C@@H](Cn3cncn3)C2)CC1 229554802 BRJWQOTUAZYODE-JKSUJKDBSA-N 323.441 0.072 0 50 DCAA O=C(NC1CC1)[C@H]1CNCCN1C(=O)CCOc1ccccc1 72150693 AVHJBKNORPSOAO-OAHLLOKOSA-N 317.389 0.535 0 50 DCAA COCc1noc(CCNC(=O)c2cnc(SC)nc2)n1 219229175 LRNUWQIPMKATFX-UHFFFAOYSA-N 309.351 0.700 0 50 DCAA CN1C[C@]2(CCCN(C(=O)CCn3cnnc3)CC2)OC1=O 72158508 DIXPADMSEQDVQM-CQSZACIVSA-N 307.354 0.502 0 50 DCAA Nc1nc2c(c(NC3CC3)n1)CCN(C(=O)[C@@H]1C=CCN1)CC2 72423170 NMEUMXAKYAFTSP-ZDUSSCGKSA-N 314.393 0.088 0 50 DCAA COC(=O)c1n[nH]cc1CN1CCC(N2CCCC2=O)CC1 71760750 BMGGBEOPYHQTQJ-UHFFFAOYSA-N 306.366 0.783 0 50 DCAA CO[C@H]1C[C@@H](C(=O)NCc2ccc3c(c2)C(=O)NCC3)N(C)C1 332145239 QTQQOATZNJSYTI-ZFWWWQNUSA-N 317.389 0.308 0 50 DCAA CN1C(=O)CC[C@@H](NC(=O)NC2CC(C)(C)NC(C)(C)C2)C1=O 333669436 CJUVAIHMLQZOFX-LLVKDONJSA-N 324.425 0.742 0 50 DCAA CC[C@@]1(O)CCN(C(=O)c2ccc(-n3cnnc3)cc2)C[C@H]1O 72440810 HGCGNUGBLRLLSG-GDBMZVCRSA-N 316.361 0.615 0 50 DCAA O=C(CCn1cnnn1)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 223178868 QCSUNLSSOUJWQV-MYPMTAMASA-N 305.382 0.773 0 50 DCAA Cn1cnnc1CCC(=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 220575487 XCPWJAAKBCCKOF-OZVIIMIRSA-N 315.377 0.771 0 50 DCAA CC(=O)Nc1ccc(OCCN2CCN(CCO)CC2)cc1 45068804 URIFNBYHHWEOSM-UHFFFAOYSA-N 307.394 0.634 0 50 DCAA CN1C[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)C[C@H]1C(=O)O 426503616 VQUZMGIZBFILEG-JSGCOSHPSA-N 314.345 0.759 0 50 DCAA Cc1nc2c(s1)CCC[C@@H]2NC(=O)CN1C(=O)CNC1=O 91807010 GBBHNBZJAWENDE-QMMMGPOBSA-N 308.363 0.497 0 50 DCAA NC(=O)Cn1ccnc1[C@@H]1CCCN(C(=O)CN2CCCC2)C1 95497521 GYYNHVZTJOCQGW-CYBMUJFWSA-N 319.409 0.170 0 50 DCAA 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O=C(O)Cn1cc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cn1 321682173 WRMDBUPDLANATJ-SNVBAGLBSA-N 320.349 0.697 0 50 DCAA CCS(=O)(=O)c1ccc(N2CCN([C@H]3CCNC3)CC2)cc1 262398613 CDCOVRVFVCQWTE-HNNXBMFYSA-N 323.462 0.964 0 50 DCAA O=C1COc2cc(NS(=O)(=O)C[C@@H]3CCCO3)ccc2N1 265445434 YABZOPVVFGWMPK-JTQLQIEISA-N 312.347 0.938 0 50 DCAA C[C@@H]1CN(C(=O)NCc2ccc(C(N)=O)cc2)C[C@H]1CCN 1875321806 WIUCPBOVHUYUCT-BXUZGUMPSA-N 304.394 0.912 0 50 DCAA CO[C@H]1CCCCN(CC(=O)NCCc2c(C)noc2C)C1=O 886075129 CAAYZJZXAIXPDX-AWEZNQCLSA-N 323.393 0.978 0 50 DCAA C[C@@H]1CCCCN1C(=O)N1CCO[C@H](Cn2cc(CO)nn2)C1 1775992478 ZZYPVRIUTDIGQJ-OCCSQVGLSA-N 323.397 0.466 0 50 DCAA Cc1cc(C[C@@H]2CN(CC(=O)N=c3cc(C)o[nH]3)C[C@@H]2O)on1 2100539267 AJPPDXSJVATYJJ-YPMHNXCESA-N 320.349 0.175 0 50 DCAA O=C(CC1=CCNCC1)N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 2325796525 WKKZFANTDZSPKY-RRFJBIMHSA-N 304.394 0.449 0 50 DCAA O=C1N[C@H](C(=O)N2CC[C@H](NC(=O)c3ccccc3)C2)CO1 937625058 ULULPXAKFZHIBI-RYUDHWBXSA-N 303.318 0.126 0 50 DCAA CC[C@H](COC)NC(=O)/C=C/c1ccc(S(N)(=O)=O)cc1 225407051 QPFOCJNUMVQXJZ-UVMWJGKXSA-N 312.391 0.888 0 50 DCAA CN(C)CC(=O)N[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 347879481 PWFSYYXPILZOGW-CJNGLKHVSA-N 302.378 0.564 0 50 DCAA CO[C@H]1C[C@@H](C(=O)NCCn2c(O)nc3ccccc32)N(C)C1 345432479 YXPORCQUZOJRQQ-FZMZJTMJSA-N 318.377 0.577 0 50 DCAA OCCOCCN1CCN(Cc2ccc3c(c2)OCO3)CC1 23115186 WOZHIKBKCNENHJ-UHFFFAOYSA-N 308.378 0.542 0 50 DCAA Cc1nc2ccc(C(=O)NCCS(=O)(=O)N(C)C)cc2o1 215136223 SKNZCERZKRSGHL-UHFFFAOYSA-N 311.363 0.757 0 50 DCAA COCCNC[C@@]1(O)CCCN(Cc2cccc(OC)c2)C1=O 67878603 QRXSZPDJAOTSBA-KRWDZBQOSA-N 322.405 0.785 0 50 DCAA CC[C@@H]1CN(C(=O)[C@H]2CCN(C)C(=O)C2)C[C@@H]1N1CCOCC1 229828167 KCFNHNLSFLDWAK-ILXRZTDVSA-N 323.437 0.424 0 50 DCAA COc1ccc(CNC(=O)[C@H](O)c2cncn2C)c(OC)c1 253405169 HSQXTZRLYUCENN-CQSZACIVSA-N 305.334 0.787 0 50 DCAA C[C@H](C(=O)N[C@@H](CO)c1cccc(F)c1)N1CCN(C)CC1 330894321 REVUIJTYLKUQLO-DOMZBBRYSA-N 309.385 0.611 0 50 DCAA C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1ncn(C(C)(C)C)n1 360718238 SLCUSDAOSWCXDH-GFCCVEGCSA-N 323.441 0.950 0 50 DCAA Cc1cc(=O)[nH]c(NCCNC(=O)c2cnn(C(C)C)c2)n1 77356560 KUXGSEIBCAWGLG-UHFFFAOYSA-N 304.354 0.698 0 50 DCAA O=C(Cn1cnnn1)N1CCC[C@]2(C1)C(=O)Nc1ccccc12 72130985 MLVVEZVHMPEMHN-OAHLLOKOSA-N 312.333 0.186 0 50 DCAA Cc1c[nH]c(C(=O)NC[C@H]2CCN(c3cnn(C)c(=O)c3)C2)n1 72143596 ABGUZAPXZSCACU-LLVKDONJSA-N 316.365 0.068 0 50 DCAA CCCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 38139719 QTFHNLLSFLTQCR-UHFFFAOYSA-N 301.144 0.986 0 50 DCAA CCS[C@@H]1CCCC[C@H]1NC(=O)N1CCO[C@H](C(N)=O)C1 370171299 YDKDAXDSLBTXON-GRYCIOLGSA-N 315.439 0.946 0 50 DCAA CC(C)(O)[C@@H]1CCCN1C(=O)Cc1ccc(-n2cnnn2)cc1 128314229 OJTRINKWOYOAOD-AWEZNQCLSA-N 315.377 0.967 0 50 DCAA O=C(O)[C@H]1CCCN(C(=O)c2ccccc2-n2cnnn2)C1 238076725 MRAHERLHNFQERU-JTQLQIEISA-N 301.306 0.599 0 50 DCAA COCCn1cc(CNC(=O)N2C[C@@H]3CCCN3C[C@H]2C)cn1 282437492 JXKUCLAFKDGEBH-HIFRSBDPSA-N 321.425 0.908 0 50 DCAA CO[C@H]1C[C@@H](C(N)=O)N(c2ccc(-n3nc(C)cc3C)nn2)C1 284492727 JSYFUXJOKUYTIS-RYUDHWBXSA-N 316.365 0.358 0 50 DCAA O=C(CN1CCC[C@](O)(Cn2ccnn2)C1)NCc1ccco1 284596834 PNUANHCIXXBGRB-OAHLLOKOSA-N 319.365 0.014 0 50 DCAA Cn1c(CN2CCC=C(c3cccnc3)C2)cc(=O)n(C)c1=O 289343105 MBTIRHCBJAZOHK-UHFFFAOYSA-N 312.373 0.768 0 50 DCAA CC(C)c1nnc([C@@H](C)NC(=O)CCNS(C)(=O)=O)o1 426613044 ZRMRXKCDPLBTIU-MRVPVSSYSA-N 304.372 0.310 0 50 DCAA COCc1nc(NCc2nccn2C)cc([C@H]2CCOC2)n1 426387339 VSZXOGLCHJVVJL-NSHDSACASA-N 303.366 1.473 0 50 DCAA CN(C)C/C=C/C(=O)NCCc1ccc(S(N)(=O)=O)cc1 264593718 BJMPHDNDVBSQKX-ONEGZZNKSA-N 311.407 0.111 0 50 DCAA Cc1cnn(CC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)c1 426596411 ACELCCDGVBQLHY-GFCCVEGCSA-N 319.365 0.028 0 50 DCAA O=C(NCCn1cccn1)N1CCCO[C@H](CN2CCCC2)C1 426445528 KLTHNSAFFFVVCK-OAHLLOKOSA-N 321.425 0.779 0 50 DCAA COc1cccn(CC(=O)N(C)CCn2nc(C)cc2C)c1=O 95519255 OMGKNIPXZOTZOW-UHFFFAOYSA-N 318.377 0.829 0 50 DCAA Cc1c(Cl)c(C(=O)N2CCC3(CC2)[C@@H](O)C[C@H]3O)nn1C 91645115 YCKRUJSUGZOTJL-AOOOYVTPSA-N 313.785 0.730 0 50 DCAA CC(C)[C@@H](NC(=O)c1cnc2nc[nH]n2c1=O)c1nccn1C 534651661 KJYWBKXIFOUJEH-SNVBAGLBSA-N 315.337 0.278 0 50 DCAA O=C(N[C@H]1COC[C@@H]1N1CCCC1)c1ccn(C(F)F)n1 299786505 MLEVRKGQOFITDJ-QWRGUYRKSA-N 300.309 0.871 0 50 DCAA COCCn1cncc1CNC(=O)c1cc(C(C)C)nc(N)n1 299782265 MXWHEGDUECMTNN-UHFFFAOYSA-N 318.381 0.955 0 50 DCAA NS(=O)(=O)C[C@@H]1CCN(C(=O)c2n[nH]c3ccccc23)C1 299797231 NCAUSEDOYGGTKK-SECBINFHSA-N 308.363 0.314 0 50 DCAA Cc1cc(O)n2nc(Cc3nc([C@@H]4CCOC4)n[nH]3)nc2n1 825138862 CWAIEFTZLRZASF-MRVPVSSYSA-N 301.310 0.351 0 50 DCAA CC(C)S(=O)(=O)N1C[C@@H](CC(=O)O)[C@@H](c2cnn[nH]2)C1 1076085706 IPMQUCPXXJVFHR-BDAKNGLRSA-N 302.356 0.033 0 50 DCAA O=C1CCCCCN1CCC(=O)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 952982474 XWJKLEREKRNDDG-PYHGIMPFSA-N 324.421 0.369 0 50 DCAA COc1cc(NC(=O)C2=NN(C)C(=O)CC2)ccc1NC(N)=O 268757896 UPFDAQHKGHKXQL-UHFFFAOYSA-N 319.321 0.733 0 50 DCAA C[C@H]1Oc2ccccc2N(CC(=O)N2CC[C@H](C(=O)O)C2)C1=O 269174653 JAOXJDALUZVXST-MNOVXSKESA-N 318.329 0.734 0 50 DCAA COc1ccc(CNC(=O)/C=C/C(=O)N[C@@H](C)CCO)cc1 585122101 NOXQNYQJGKVEFG-GUOLPTJISA-N 306.362 0.755 0 50 DCAA Cc1cc2c(N3CCC[C@](O)(CC(=O)N(C)C)C3)nccn2n1 643719112 SJOMCKWGJVWJSW-INIZCTEOSA-N 317.393 0.847 0 50 DCAA Cc1c([C@H]2CNC[C@@H]2C(=O)N2CCNC(C)(C)C2)cnn1C 643773819 ZWSCKWZXANDNIM-KGLIPLIRSA-N 305.426 0.242 0 50 DCAA CCC(=O)N[C@H]1CCCN(C(=O)c2cc3ncccn3n2)C1 644940301 GNQQNZVVSAAENR-NSHDSACASA-N 301.350 0.860 0 50 DCAA O=C([C@H]1NCCOc2ccccc21)N1CCCS(=O)(=O)CC1 1615614469 HPUCCWOTIJDBGF-AWEZNQCLSA-N 324.402 0.357 0 50 DCAA Cc1nc(C(=O)N2C[C@H](Cc3cnccn3)[C@@H](O)C2)cs1 1615736596 JAAIFYDMEMYVCD-GWCFXTLKSA-N 304.375 0.917 0 50 DCAA O=C(O)[C@@H]1CN(S(=O)(=O)c2sccc2Cl)CCO1 654786496 YAPQQNMEZMNBEX-ZETCQYMHSA-N 311.768 0.876 0 50 DCAA Cc1nc(N2CCCC2)nc(NC[C@H]2CN(C)C(=O)CO2)c1C 1704335694 QLGVABBQCNNRRW-ZDUSSCGKSA-N 319.409 0.963 0 50 DCAA COc1nc(N2CCC3(CC2)N=C(N(C)C)NC3=O)ncc1F 1772700930 GODNBPXUNORHTQ-UHFFFAOYSA-N 322.344 0.011 0 50 DCAA CN(CC(=O)N1C[C@H]2[C@H](C1)C2(CO)CO)Cc1ccccc1 1772711947 MEWTVGKQLQYZKY-GJZGRUSLSA-N 304.390 0.178 0 50 DCAA Cc1cc(Cl)ccc1OC[C@H](O)CN(CCO)CCO 5925737 CCEXBZJETAGAOP-CYBMUJFWSA-N 303.786 0.675 0 50 DCAA Cc1[nH]nc(O)c1CC(=O)N[C@@H]1C[C@H]2CO[C@@H](C(C)C)CN2C1 1857725892 RMYSCSGORRSNFL-MBNYWOFBSA-N 322.409 0.580 0 50 DCAA CC(=O)c1cnc(N2C[C@@H]3CCOC[C@]3(C(=O)O)C2)nc1C 1857669305 VXJVXADIVSVBDG-XHDPSFHLSA-N 305.334 0.915 0 50 DCAA O=C(NCc1nc(-c2ccncc2)n[nH]1)c1ccn2ncnc2c1 1857675400 WRIINBQYORCEDK-UHFFFAOYSA-N 320.316 0.839 0 50 DCAA Cn1nc(C(=O)N2CCOc3ccc(CO)cc3C2)nc1Cl 1857688993 AKAUJXSTABFEDM-UHFFFAOYSA-N 322.752 0.996 0 50 DCAA CCn1cc(CN2CC[C@@](NC(C)=O)(c3nc(C)no3)C2)cn1 643722858 WQQMPMRWDJOFPU-HNNXBMFYSA-N 318.381 0.832 0 50 DCAA O=C(O)[C@H]1CN(C(=O)c2cccc(N3CCCC3=O)c2)CCO1 262346529 AQFYLBDGJQDZKZ-CYBMUJFWSA-N 318.329 0.739 0 50 DCAA Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1n[nH]c(C)c1O 952888105 MOBPWNBZVQDUGA-SNVBAGLBSA-N 305.338 0.977 0 50 DCAA N[C@@H]1CN(C(=O)CCOCc2ccccc2)C[C@@H]1n1ccnn1 952852999 VBQVORSRSJUTCE-CABCVRRESA-N 315.377 0.596 0 50 DCAA CN1CCOC[C@@]1(CO)CNc1cc(Br)ccn1 1875287093 VFEGIKNTTFMNSE-LBPRGKRZSA-N 316.199 0.949 0 50 DCAA O=C(c1cc(O)nc(C2CC2)n1)N1C[C@@H]2C[C@H](O)[C@H](O)C[C@H]2C1 1875332683 FBWDHSUVGOHIPS-XRRVDJEJSA-N 319.361 0.263 0 50 DCAA O=C1NCC2(CCN(C(=O)c3cc(O)nc(C4CC4)n3)CC2)N1 1875332723 GNNWGGFMDOGYKS-UHFFFAOYSA-N 317.349 0.347 0 50 DCAA O=C1C[C@H](NC2CCN(C(=O)c3cccc(F)c3)CC2)C(=O)N1 20059441 MWDAPWSUFRBMCK-ZDUSSCGKSA-N 319.336 0.435 0 50 DCAA CCc1nc(O)ccc1C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 2356143596 OUBZNBQPJFJMLA-SNVBAGLBSA-N 304.310 0.076 0 50 DCAA OCCN(CCO)C[C@@H](O)COCc1ccc(Cl)cc1 2686818 LTBRAHAUVQHJAX-CQSZACIVSA-N 303.786 0.504 0 50 DCAA COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)CSc1nnc(C)s1 55154707 UEPVEVXITUXLHA-SFYZADRCSA-N 317.392 0.073 0 50 DCAA CC(C)[C@@H](C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O)N(C)C 343450791 QALKCAFWBHZFFH-NSHDSACASA-N 310.398 0.115 0 50 DCAA Cc1nc2ccc(F)cc2c(=O)n1CC(=O)Nc1nnc[nH]1 170622272 MBIXDFSNSWWAMG-UHFFFAOYSA-N 302.269 0.601 0 50 DCAA CN1CCN([C@H]2CN(Cc3ccccc3C(=O)O)C[C@@H]2O)CC1 67872247 RMAFBCTXNSXYJS-HOTGVXAUSA-N 319.405 0.177 0 50 DCAA CC(C)N1CCC[C@H](C(=O)NCCS(=O)(=O)N(C)C)C1 67743825 BOUISWBSIBHUFI-LBPRGKRZSA-N 305.444 0.114 0 50 DCAA CN1CCOc2cc(C(=O)N3CCN(C)[C@@H](C(=O)O)C3)ccc21 216433246 RCCHYIGTYCLJOG-CYBMUJFWSA-N 319.361 0.356 0 50 DCAA Cn1c(Cl)cnc1CN1CCC[C@@H]1c1nc(C(N)=O)no1 328640725 QCKHCIKNDUIARJ-SSDOTTSWSA-N 310.745 0.893 0 50 DCAA Cc1cc(CC(=O)N2CCO[C@@H](CN(C)CC3CC3)C2)n[nH]1 328639073 PKIMXKIVHBIAIO-HNNXBMFYSA-N 306.410 0.830 0 50 DCAA CC(=O)N1CCOC[C@@H]1C(=O)N1CC=C(C(F)(F)F)CC1 362433600 PEMGWCKIGFBUAD-LLVKDONJSA-N 306.284 0.955 0 50 DCAA C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)CN1CCOCC1=O 331950887 QXYWYGOVZRQCOE-KEYYUXOJSA-N 324.421 0.777 0 50 DCAA CSc1ncc(C(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)cn1 219913679 YUPUNYVGRBSTMU-CYBMUJFWSA-N 308.363 0.865 0 50 DCAA O=C1NC[C@@]2(CCCN(C(=O)CCn3ccccc3=O)CC2)O1 72156491 OXXCWZAABCYPIC-INIZCTEOSA-N 319.361 0.730 0 50 DCAA Cn1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CN)nc1Cl 237804530 IQMDOPBUICHKAN-RKDXNWHRSA-N 306.819 0.869 0 50 DCAA 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Cc1nn(C)c(C(=O)NCC2CCN(CCO)CC2)c1Cl 1506419003 LUCGLVQOIBBVKX-UHFFFAOYSA-N 314.817 0.816 0 50 DCAA C[C@@H](C(=O)N1CCCC1)N1CCC[C@@H](NS(C)(=O)=O)C1 229778499 HDQCIPSKGDISKP-NWDGAFQWSA-N 303.428 0.011 0 50 DCAA CCN1C(=O)N(C)C(=O)C12CCN(Cc1cnn(C)c1C)CC2 14750091 PWDBWMWXOAZZQV-UHFFFAOYSA-N 319.409 0.977 0 50 DCAA CS(=O)(=O)N1CCN2C(=O)OC[C@]2(Cc2ccccc2)C1 1857688163 WEMMMOBWGUTSAI-AWEZNQCLSA-N 310.375 0.695 0 50 DCAA O=C(c1ccc2nc[nH]c2c1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857732458 RESFTSYLMDQWKI-CJNGLKHVSA-N 312.329 0.736 0 50 DCAA CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)C[C@@H]2C(=O)O 258830915 JCHRSFNTOLNLGP-MRVPVSSYSA-N 305.352 0.353 0 50 DCAA in-vitro CCCN1N=C(C)Cn2c1nc1c2c(=O)n(CCC)c(=O)n1C 4316655 BAUHWERQHAJUDL-UHFFFAOYSA-N 318.381 0.913 0 50 DCAA O=C(NC[C@@H]1NCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 261597055 AMCTWTCRFIZUKW-JSGCOSHPSA-N 308.403 0.424 0 50 DCAA C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCOC[C@@H]1CC(=O)O 261676605 HQMQLXIYIDTYAV-ZIBATOQPSA-N 321.329 0.917 0 50 DCAA O=C(O)c1cn([C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@H]3O4)C2)nn1 818318872 WKLCZXLXPWXXEF-DNRKLUKYSA-N 306.322 0.317 0 50 DCAA CCc1nnc(N2C[C@@H]3COCC[C@@]3(C(=O)NC)C2)nc1CC 952852390 HUFGPDGCWBNQDV-BDJLRTHQSA-N 319.409 0.585 0 50 DCAA COc1cccnc1NC(=O)N[C@@H](C)[C@H]1CN(C)CCN1C 952884301 XHLHZKUCSLWLCT-NWDGAFQWSA-N 307.398 0.846 0 50 DCAA CN(C)C(=O)[C@@H](c1ccccc1)n1cc(Cn2cncn2)nn1 1875282641 MTDFTVGTWJDENT-CQSZACIVSA-N 311.349 0.596 0 50 DCAA CC(C)c1noc(=O)n1CC(=O)N1CCN(C(=O)C2CC2)CC1 1875391641 NPBBHSIJTWXCSK-UHFFFAOYSA-N 322.365 0.041 0 50 DCAA Cc1cc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2nccn2C)on1 886084769 GGMYMYSBRRQTOM-ZWNOBZJWSA-N 317.349 0.808 0 50 DCAA CN1C(=O)C[C@@H](CNC(=O)C2(C)COC2)[C@@H]1c1ccncc1 886031114 PNXRHUQOGMMNQG-JSGCOSHPSA-N 303.362 0.754 0 50 DCAA CCc1ncnc(N2CCN([C@@]3(C(=O)O)CCOC3)CC2)c1F 886095482 XTEDOCYJKKMNGD-HNNXBMFYSA-N 324.356 0.544 0 50 DCAA CC(C)Cn1cc(CN2Cc3nncn3C[C@@H]2C(=O)O)cn1 1775962299 DJAUYXRVXAUOKV-GFCCVEGCSA-N 304.354 0.600 0 50 DCAA CCOC(=O)C1=NN[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]12 100057535 PLHWYAWDTNCCGB-UWVGGRQHSA-N 305.265 0.206 0 50 DCAA Cc1cccc2c(=NCc3nnc4n3CCNC4=O)cc[nH]c12 2325761443 DPDNLIMACPJRFV-UHFFFAOYSA-N 308.345 0.912 0 50 DCAA O=C1NC[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc2nc(O)oc2c1 2325818973 JHIYYZWQIIUSLE-GMSGAONNSA-N 323.330 0.185 0 50 DCAA O=C(O)[C@@]1(C(=O)N2CCC[C@H](c3nc(O)n[nH]3)C2)CCCCO1 2325829741 RAROPJZWKBMVPK-XPTSAGLGSA-N 324.337 0.240 0 50 DCAA O=C(N=c1cc[nH]cc1N1CCNCC1)c1ncn2ccccc12 2325855796 OXZYLGGIFUQXIR-UHFFFAOYSA-N 322.372 0.813 0 50 DCAA O=C(NCc1ccc2c(c1)CNC2)c1cc2c(=O)[nH]ccn2n1 2325857834 QZFOTEKAVFPRQV-UHFFFAOYSA-N 309.329 0.556 0 50 DCAA O[C@H]1CN(CCN2CCOCC2)CC[C@]1(O)c1ccccc1 2356142077 CHOIOAFDKBJKDZ-IRXDYDNUSA-N 306.406 0.273 0 50 DCAA CCc1ocnc1C(=O)N1CCC2(CC1)OCC[C@@](C)(O)[C@@H]2O 2356153266 YWAIXIWGKCACSD-LSDHHAIUSA-N 324.377 0.744 0 50 DCAA Cn1c2c(c(=O)n(C)c1=O)N1CC(c3ccccc3)=NN=C1N2 4136691 GFPHNBMCCFBBPT-UHFFFAOYSA-N 310.317 0.090 0 50 DCAA biogenic CC[C@H](C(=O)NC1CCCCC1)N1CCS(=O)(=O)CC1 65506130 SXDDCMPRWOUHFD-CYBMUJFWSA-N 302.440 0.944 0 50 DCAA CN(CCO)C[C@]1(O)CCCN(CCc2ccccc2)C1=O 67947883 UQCXZATYZCYCKD-QGZVFWFLSA-N 306.406 0.507 0 50 DCAA CN1CCN2C[C@@H](NC(=O)C(=O)CCc3ccccc3)C[C@H]2C1 67982885 UKKZAWQERGGOLX-HOTGVXAUSA-N 315.417 0.693 0 50 DCAA CC(C)N1CCCC[C@@H]1C(=O)N1CCc2c(ncn(C)c2=O)C1 328633046 SHVHGLMMQJROJW-OAHLLOKOSA-N 318.421 0.928 0 50 DCAA CCN1C(=O)/C(=C\c2cnn(CC)c2)N=C1SCC(N)=O 2785477 FCXKROYMRAQHJW-BJMVGYQFSA-N 307.379 0.681 0 50 DCAA CN1C[C@@]2(CCN(C(=O)c3c4c(nn3C)CCCC4)C2)OC1=O 72170398 CJHSGBDUMWQANH-MRXNPFEDSA-N 318.377 0.966 0 50 DCAA CCC[C@@H](NC(N)=O)C(=O)N1CCN(Cc2ccco2)CC1 143622529 PEOFSNLGFUSERZ-CYBMUJFWSA-N 308.382 0.761 0 50 DCAA COc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCCO)c(O)c1 219869044 CTUNYIBMUSIDHP-TZMCWYRMSA-N 311.334 0.297 0 50 DCAA C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)c2ncn(C(C)(C)C)n2)CC1=O 329638820 WGKJDNOOSFOTRG-MXWKQRLJSA-N 305.382 0.772 0 50 DCAA Cn1nccc1[C@H]1CCCCN1C(=O)Cn1ccc(O)nc1=O 328690018 BNUDYTGFDLRQKR-GFCCVEGCSA-N 317.349 0.436 0 50 DCAA COCCn1cc(CN2CCOC[C@@H]2[C@H]2CCC[C@H]2O)cn1 336923308 SGIWZBXMBDIRLI-BZUAXINKSA-N 309.410 0.891 0 50 DCAA CC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1cnn2ccccc12 71278667 FGAPTRRPVSEIEP-FZMZJTMJSA-N 315.377 0.401 0 50 DCAA Cc1c(C(=O)N2CCOC[C@@H](O)C2)sc2ncn(C)c(=O)c12 77453989 MWGNWSPFTYZMOP-VIFPVBQESA-N 323.374 0.137 0 50 DCAA C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)CN1CCOCC1=O 331950885 QXYWYGOVZRQCOE-CPUCHLNUSA-N 324.421 0.777 0 50 DCAA Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCC[C@@H]1C(C)(C)O 128649332 UXCHHKRJZSSMFD-GFCCVEGCSA-N 318.377 0.635 0 50 DCAA Cc1nccn1Cc1cccc(CNC(=O)[C@@H]2CNCCO2)c1 237630978 FAYNCWOZGGHAHA-INIZCTEOSA-N 314.389 0.844 0 50 DCAA Cc1cn(CC(=O)N(C)CCC[C@H]2CCCO2)c(=O)[nH]c1=O 220058706 VTUSBKVPRLNVFB-LBPRGKRZSA-N 309.366 0.263 0 50 DCAA Nc1nc(CCCNC(=O)C[C@@H]2C=CS(=O)(=O)C2)cs1 220377721 GQUFUYWHHVBCKA-VIFPVBQESA-N 315.420 0.723 0 50 DCAA CCn1ncc(NC(=O)Cn2ccc(-c3nccnc3C)n2)n1 48187725 GGWIKGMSXRTGHN-UHFFFAOYSA-N 312.337 0.899 0 50 DCAA COCC(=O)N1CCC(C(=O)N2CC(c3ccccn3)C2)CC1 95359115 GDDPPXUWBAHBOO-UHFFFAOYSA-N 317.389 0.892 0 50 DCAA CCN(CCn1cccn1)C(=O)Cn1ncc(N(C)C)cc1=O 95520177 ANIWOQLEMZCDLC-UHFFFAOYSA-N 318.381 0.055 0 50 DCAA N[C@H]1CN(S(=O)(=O)c2ccccc2C(=O)O)C[C@@H]1C1CC1 91694262 XFDWVSVNEOGFAV-NEPJUHHUSA-N 310.375 0.743 0 50 DCAA CCn1nc(C)c(CCNC(=O)[C@H]2CCCN(C(N)=O)C2)c1C 91665108 KVRQLWQVSZWWEK-ZDUSSCGKSA-N 321.425 0.969 0 50 DCAA O=C(O)[C@@H]1CN(CCN2CCCC2=O)C[C@H]1c1ccncc1 91997497 GDGXWOJFFYHWOT-UONOGXRCSA-N 303.362 0.804 0 50 DCAA COc1cccc(O[C@H](C)CNC(=O)N2CCO[C@@H](CO)C2)c1 267531679 AGIPAGLGLWUMDH-IUODEOHRSA-N 324.377 0.865 0 50 DCAA CN(Cc1ccccc1)C(=O)CCC(=O)N1CCNC(=O)C1 604419483 DHWNMFMSRZSOEJ-UHFFFAOYSA-N 303.362 0.384 0 50 DCAA c1cc(-c2noc(CN3CCN([C@@H]4CCNC4)CC3)n2)ccn1 244899421 ZJQVXCFOLNDBRT-CQSZACIVSA-N 314.393 0.611 0 50 DCAA CN(C)C[C@@H]1CN(C(=O)c2cccc(-n3ccnc3)n2)CCO1 180810734 BFFPGOAQORJKJB-CYBMUJFWSA-N 315.377 0.670 0 50 DCAA CNC(=O)c1[nH]nc2c1CN(C(=O)CSCC1CC1)CC2 252509032 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DCAA O=C1N[C@]2(C(=O)NCc3nc(C4CC4)n[nH]3)C[C@H]3C[C@H]1[C@H]2C3 652390756 GULPIMHZWQLIGF-RMLKNWPSSA-N 301.350 0.213 0 50 DCAA COc1cccc2c1CC[C@]2(N)C(=O)NCCN1CCCC1=O 1615553962 OLLMDWDOYUPOSX-QGZVFWFLSA-N 317.389 0.534 0 50 DCAA Cc1ccc2ncnc(N3CCN4CCOC[C@@]4(CO)C3)c2c1 1615613590 ZKQTYVHKBPHUSZ-KRWDZBQOSA-N 314.389 0.822 0 50 DCAA N[C@H]1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 237922770 YKNSOUXMOVGCCV-JTQLQIEISA-N 302.783 0.673 0 50 DCAA O=C(CN1C[C@H]2CNC[C@@]2(CO)C1)NC1CCCCCCC1 1772703513 XRQQICFPFOHIIY-PBHICJAKSA-N 309.454 0.729 0 50 DCAA COc1ncccc1NC(=O)N1C[C@H](O)[C@@H](n2ccnn2)C1 1857533164 IYFUHVJQHWQGSH-QWRGUYRKSA-N 304.310 0.131 0 50 DCAA O=C1NCCN(CC2COCCOC2)[C@H]1c1cccc(F)c1 1857692855 XLYBNOVTRXCZCN-HNNXBMFYSA-N 308.353 0.962 0 50 DCAA COC(=O)c1ccc(CNC(=O)[C@H]2CC[C@@H](O)[C@H](N)C2)cc1 1857732745 DYPLIVSMJFEOPU-BFHYXJOUSA-N 306.362 0.578 0 50 DCAA O=C(NCc1cccnc1-n1cncn1)[C@@H]1CCn2nccc2C1 1857740380 HHNRBQMOGYTMSR-GFCCVEGCSA-N 323.360 0.738 0 50 DCAA 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320.349 0.545 0 50 DCAA C=CC(=O)N1CCC(C(=O)N2CCCC[C@@H]2CNC(N)=O)CC1 1875369285 FMRXAXDLJNBQHZ-CYBMUJFWSA-N 322.409 0.460 0 50 DCAA CC(C)[C@H]1N(C)C[C@]12C[C@@H](O)[C@H](NC(=O)c1ccncn1)C2 888095460 YUJUQDUILRATOW-KQTLUZQSSA-N 304.394 0.686 0 50 DCAA N[C@@]12CCOC[C@@H]1CN(C(=O)c1ccc3c(n1)OCCO3)C2 2325809065 BBWNTRWGWQQWNV-ZUZCIYMTSA-N 305.334 0.043 0 50 DCAA CC1(C)CO[C@@H](CNC(=O)C(=O)Nc2cnn3cccnc23)C1 2325817805 YDKCTXHHJXYWFL-SNVBAGLBSA-N 317.349 0.599 0 50 DCAA CCN(Cc1noc(C2CCC2)n1)C(=O)c1nc(=O)n(C)[nH]1 2356150872 CZVADMCFRLSKRC-UHFFFAOYSA-N 306.326 0.421 0 50 DCAA CC(C)C(=O)N1CCC(CNC(=O)[C@@H](O)C(F)(F)F)CC1 2356153231 XPYNXQDUMMURPK-SNVBAGLBSA-N 310.316 0.920 0 50 DCAA Cc1nn(C)cc1S(=O)(=O)NCCCN1CCCC1=O 6741058 PELSDBRLUIKMBK-UHFFFAOYSA-N 300.384 0.019 0 50 DCAA Cc1ccn(CCn2ncc(N3CCCN(C)CC3)cc2=O)n1 20661272 SAXSNIJKWJIILG-UHFFFAOYSA-N 316.409 0.590 0 50 DCAA CN1CCN(CN2C(=O)C(=O)N(C)C2=O)[C@@H](c2ccccc2)C1 229548589 FRPGJVPZOFFFCH-CYBMUJFWSA-N 316.361 0.353 0 50 DCAA C[C@@H](Cn1cccn1)C(=O)NCc1nnnn1-c1ccccc1 217911278 JWCVVLOBHKVPOW-LBPRGKRZSA-N 311.349 0.811 0 50 DCAA CN1C[C@]2(CCCN(c3ncccc3C(N)=O)CC2)OC1=O 72146014 PIVJNANYTLTNMH-OAHLLOKOSA-N 304.350 0.992 0 50 DCAA C[C@@H](C(=O)N(CCCO)Cc1ccncc1)N1CCCC1=O 215659401 BPWRSYCUAKPTLD-ZDUSSCGKSA-N 305.378 0.804 0 50 DCAA O=C(c1cnn2ccccc12)N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1 71749212 BORDELJEUUZYDR-AGCIHXOGSA-N 301.346 0.538 0 50 DCAA COCCOC1CCC(C(=O)N2CCCNC(=O)[C@@H]2C)CC1 373591102 FRJQSQJWLSHTRN-HSBZDZAISA-N 312.410 0.945 0 50 DCAA Cn1nncc1C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O 240886249 IOEKAHXDYKJANN-NSHDSACASA-N 317.324 0.880 0 50 DCAA CN(CCc1nc2ccc(Cl)cc2[nH]1)C(=O)Cn1cnnn1 221433372 PKNVRMVXPMEKNA-UHFFFAOYSA-N 319.756 0.904 0 50 DCAA COCCc1noc([C@H](C)NC(=O)N(C)Cc2cc[nH]n2)n1 426399154 CMZHKNIBPABDOO-VIFPVBQESA-N 308.342 0.884 0 50 DCAA CSC1=N[C@H]2[C@H](NN1)N(c1ccccc1)C(=O)[C@H]2C(C)=O 334157469 DQZQSFIODUGNKW-QJPTWQEYSA-N 304.375 0.760 0 50 DCAA COc1cc(OC)c(CN2CCNC(=O)[C@@H]2C)c(C(=O)O)c1 97572186 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DCAA C[C@H]1CN(CCC(=O)NCc2cnc3cnccn23)C[C@@H](C)O1 584893936 GGRLDVLBDWBCSZ-BETUJISGSA-N 317.393 0.845 0 50 DCAA CCn1nc(CO)c2c1CCN(Cc1nc(COC)no1)C2 670463611 BUWZSUCPQIRUSZ-UHFFFAOYSA-N 307.354 0.483 0 50 DCAA CN1CCO[C@@H]2CN(C(=O)c3ccnn3CC3CCC3)C[C@@H]21 633410261 JBKZXLANROYCBE-LSDHHAIUSA-N 304.394 0.838 0 50 DCAA CN(Cc1cn(C)nn1)C(=O)[C@@H]1NCCOc2ccccc21 1615552558 FAOKZBHDMGQXJJ-CQSZACIVSA-N 301.350 0.497 0 50 DCAA CN(CC(=O)O)C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 1615622436 VJLPTEQSDQFBPB-WFASDCNBSA-N 319.361 0.932 0 50 DCAA CC(C)C(C)(C)CNC(=O)N1CC[C@@H](CS(N)(=O)=O)C1 1615614816 LFVSPQHNWNPHHR-LLVKDONJSA-N 305.444 0.989 0 50 DCAA CN1CC(=O)N2CCN(C(=O)NC3CCCCC3)C[C@@H]2C1=O 14532711 OJBWPCCLSBDNBB-GFCCVEGCSA-N 308.382 0.014 0 50 DCAA COc1ccc(CN2CCN(CCOCCO)CC2)cc1OC 19606971 HHOVMBBEBVEFCU-UHFFFAOYSA-N 324.421 0.830 0 50 DCAA O=C([C@H]1CCn2nccc2C1)N1CCC(N2CCOCC2)CC1 1857673269 MTEHZUZKKDKBFH-AWEZNQCLSA-N 318.421 0.769 0 50 DCAA CC(C)c1ccc(CC(=O)N[C@H]2CO[C@@H]3[C@H](O)CO[C@H]23)cc1 1875245063 IPCNOHGLNFWZLP-XOSAIJSUSA-N 305.374 0.996 0 50 DCAA COc1cc(Cl)ccc1C(=O)N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875244648 XQQBONDOTYLLHV-XKAARJIMSA-N 313.737 0.606 0 50 DCAA O[C@H]1C[C@@H](c2cccc(F)c2)N(c2ccc3nnnn3n2)C1 225647467 PSVUCDIDDVVYBD-RYUDHWBXSA-N 300.297 0.971 0 50 DCAA Cc1nc(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2ccnn2C)no1 331450462 MFEROFMGOBCLSA-WCQYABFASA-N 318.381 0.924 0 50 DCAA COCCC(=O)N1CCN(C(=O)Nc2ccncc2F)CC1 241326088 LZEGHIXQRGHPBG-UHFFFAOYSA-N 310.329 0.933 0 50 DCAA O=S1(=O)CCC[C@@H](NS(=O)(=O)CC=C(Cl)Cl)C1 585115820 UPJBNPWVGLPLLQ-SSDOTTSWSA-N 322.235 0.802 0 50 DCAA CC(C)[C@H](NS(=O)(=O)c1ccc(CC(=O)O)cc1)C(=O)O 833471409 RBHTVAGTLZWNGK-LBPRGKRZSA-N 315.347 0.701 0 50 DCAA COCCOc1cccc(C(=O)N2CC(N3CCOCC3)C2)c1 863947737 DCXZPOBFZJDNIU-UHFFFAOYSA-N 320.389 0.868 0 50 DCAA Cc1nc(CNC(=O)[C@@H](N)Cc2ccoc2)sc1C(N)=O 1875345550 BGULRECNTFQJJL-VIFPVBQESA-N 308.363 0.330 0 50 DCAA Cc1ncncc1C(=O)NCc1cc(O[C@@H]2CCNC2)ccn1 888102890 SSBGJQCLZYUXDX-CQSZACIVSA-N 313.361 0.851 0 50 DCAA Cc1ccc(CNC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)nc1 889298559 XIQYMIIDADOQSY-CYBMUJFWSA-N 319.409 0.651 0 50 DCAA N[C@@H]1C[C@H](O)[C@H]1CC(=O)NC[C@@H]1CC(=O)Nc2ccccc21 2325849672 XJTHPFYSUOZHSI-ZKCLLBTKSA-N 303.362 0.327 0 50 DCAA CO[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(-c3nc(=O)o[nH]3)n2)C1 2325849828 BKTAEJXDFRDHGF-NXEZZACHSA-N 318.333 0.922 0 50 DCAA CCOC(=O)CCC(=O)Nc1ccc(S(N)(=O)=O)cc1 2134161 RFJNBIUPOREESK-UHFFFAOYSA-N 300.336 0.616 0 50 DCAA CN(C)C[C@H]1[C@@H]2CC[C@@]3(CN(c4ncnc5n[nH]cc45)C[C@@H]13)O2 2356145392 AGTIKDVCLJDCSU-DVZHBHJUSA-N 314.393 0.898 0 50 DCAA O=C(Cc1cccnc1)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 2356147541 BBAFNIJFBAKPSX-CZUORRHYSA-N 303.362 0.114 0 50 DCAA CC(C)N1CCC[C@@]2(CCCN2C(=O)c2cncc(=O)[nH]2)C1=O 2356148372 STCPCNMPYKAVPE-MRXNPFEDSA-N 318.377 0.776 0 50 DCAA Cn1nnc([C@H]2CN(C(=O)c3ccn(C(C)(C)C)c3)CCO2)n1 2356153304 ZNDMDQGMPMIUJE-GFCCVEGCSA-N 318.381 0.980 0 50 DCAA Cc1cc(C)n2nc(C(=O)N[C@H](CO)C3CCOCC3)nc2n1 225572845 BJVGLSZUCGNISP-GFCCVEGCSA-N 319.365 0.258 0 50 DCAA Cn1cc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCCO)C2)cn1 72478010 MGBSLFWFGBQCNO-LSDHHAIUSA-N 306.410 0.615 0 50 DCAA CN1N=C(C(=O)N2CCN[C@H](c3cccnc3)C2)CCC1=O 374349799 KLQKTLDINQZEAD-ZDUSSCGKSA-N 301.350 0.163 0 50 DCAA Cn1nccc1[C@@H]1CCCCN1S(=O)(=O)c1cnnn1C 329580558 PSPLZDRDFFHTIA-NSHDSACASA-N 310.383 0.465 0 50 DCAA CCN1CCN(C2CCN(C(=O)[C@@H]3CC(=O)N(C)C3)CC2)C1=O 371017304 IJBUFZWCMCNPIW-GFCCVEGCSA-N 322.409 0.213 0 50 DCAA Nc1cnn(CC(=O)NC[C@@H]2CCCN(c3ccccn3)C2)c1 218933090 QGTPDWOARGRGPQ-ZDUSSCGKSA-N 314.393 0.893 0 50 DCAA COc1ccnc(N2CCN(C(=O)[C@@H](C)n3cncn3)CC2)c1 170924067 MZPFRXRPQVQQMO-GFCCVEGCSA-N 316.365 0.592 0 50 DCAA CCOC(=O)C[C@@H]1CCCCN1C(=O)c1cc(=O)[nH]c(O)n1 72408357 UQAVJYDQVHCVHG-VIFPVBQESA-N 309.322 0.423 0 50 DCAA CC(=O)c1c(C)nn(CC(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3)c1C 221403294 MLHKIOBADAZWAU-OLZOCXBDSA-N 318.377 0.440 0 50 DCAA Cc1cc(C(=O)NN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cs1 225648179 AHCCMFSQBMPLSK-ZNSHCXBVSA-N 306.343 0.864 0 50 DCAA CN1CCN(C)[C@H](CNC(=O)Cc2nc3ccccc3[nH]2)C1 426739122 WONVXKXDVLOVGS-GFCCVEGCSA-N 301.394 0.467 0 50 DCAA Cc1n[nH]c(SCC(=O)NCCCc2csc(N)n2)n1 222643576 PHOKTYSOOJYWNM-UHFFFAOYSA-N 312.424 0.993 0 50 DCAA CCn1cc(CCN2CCC[C@@](O)(Cn3ccnn3)C2)cn1 285583447 BEHMKIABJLFFIY-HNNXBMFYSA-N 304.398 0.564 0 50 DCAA COC(=O)N[C@@H](C)C(=O)NCCn1ncc2ccccc2c1=O 220267808 XESJYWNJVVAXGD-JTQLQIEISA-N 318.333 0.257 0 50 DCAA Cc1ccc([C@@H](C(=O)NCc2cc(=O)[nH]cn2)N(C)C)cc1 91594079 SPAQPEPUYYTGPN-HNNXBMFYSA-N 300.362 0.997 0 50 DCAA O=C1C[C@H](C(=O)O)C2(CCN(Cc3noc(C4CC4)n3)CC2)N1 91462287 ZWLXYSNBLKLPEK-SNVBAGLBSA-N 320.349 0.502 0 50 DCAA CCc1nc(CN(C)c2cc([C@H]3C[C@@H](N)C3)nc(N)n2)no1 244723954 MKWOXXZUGBZILD-DTORHVGOSA-N 303.370 0.845 0 50 DCAA O=C(CCN1CCCCO1)N[C@H]1C[C@@H](c2cc(O)ncn2)C1 253535334 LNSQYTGJFXQYTN-TXEJJXNPSA-N 306.366 0.962 0 50 DCAA CCCc1nc(CNS(=O)(=O)N2CCOCC2)cs1 534576184 LGZLKPNSOOSEMF-UHFFFAOYSA-N 305.425 0.762 0 50 DCAA COc1ccc(OCCCN)c(C(=O)N(C)[C@H]2COC[C@@H]2O)c1 299781721 ORSQURSPPHKFJQ-KBPBESRZSA-N 324.377 0.255 0 50 DCAA CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cnc2c(c1)CCCC2 670465041 LPFLRJLNGBYFGF-ZIAGYGMSSA-N 324.402 0.502 0 50 DCAA O=C(CCc1nc2ccc(F)cc2[nH]1)N[C@H]1CCOC[C@@H]1O 1565529802 CYPYRVJWBHHPBM-AAEUAGOBSA-N 307.325 0.901 0 50 DCAA Cc1ncc(S(=O)(=O)NC[C@@H](C(=O)O)c2ccccc2)n1C 629301291 FQHYLVXDMJDPJJ-GFCCVEGCSA-N 323.374 0.875 0 50 DCAA CNC(=O)c1ccn([C@H]2CCCN([C@H]3CCN(C)C3=O)C2)n1 275946682 LRDWETCCTBNEPK-AAEUAGOBSA-N 305.382 0.110 0 50 DCAA CCc1nn(C)cc1CN1CCC[C@@](O)(C(=O)N2CCCC2)C1 671494410 MEOAHGXWTPCGLB-KRWDZBQOSA-N 320.437 0.932 0 50 DCAA CCN1C[C@@H](C(=O)N2CC3(CCOC3)C2)[C@H](c2cn(C)cn2)C1 1614995875 MXYMLEALWIHFNJ-ZIAGYGMSSA-N 318.421 0.704 0 50 DCAA c1ccc(CCN2CCN(C[C@@]34CN[C@@H](CO3)C4)CC2)cc1 1616037720 BHNJNJPECNEQCP-QZTJIDSGSA-N 301.434 0.978 0 50 DCAA COCCn1ccnc1CN1C[C@H](O)[C@H](Cc2cc(C)no2)C1 1529186291 WVJBOWDKMWPQCY-HIFRSBDPSA-N 320.393 0.861 0 50 DCAA Cc1ccc(C(=O)N2CC[C@@H]3CNC[C@@H]32)cc1N1CCNC1=O 222303682 GIVSICOPKWJFKY-HIFRSBDPSA-N 314.389 0.959 0 50 DCAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(N)nc3)C[C@H]2O)on1 1704339102 NZUPEWWQDSUIFP-DGCLKSJQSA-N 302.334 0.636 0 50 DCAA CC(C)NC(=O)NCCNS(=O)(=O)N(C)C1CCCC1 1615548645 HFWAAOWMZJECIN-UHFFFAOYSA-N 306.432 0.403 0 50 DCAA NC[C@H]1CCCN1C(=O)c1c[nH]c(=O)c(Br)c1 238046759 SFOOKBZZTRTHEZ-MRVPVSSYSA-N 300.156 0.701 0 50 DCAA CC[C@@H]1NC(=O)[C@@H]2C[C@H](NCc3cc(F)ccc3F)CN2C1=O 14754802 ZBDVVRADPZPFNX-UBHSHLNASA-N 323.343 0.932 0 50 DCAA N=c1nc(O)c2c([nH]1)C1(CC2)CCN(C(=O)[C@@H]2CCOC2)CC1 1857738361 DJXVHERKXBWMDV-SNVBAGLBSA-N 318.377 0.438 0 50 DCAA Cc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)no1 347880 KFGWNIGZMCIXJX-UHFFFAOYSA-N 309.347 0.603 0 50 DCAA in-vitro CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2ccc(OC)nn2)cn1 328625986 LHPNTCYOISZIRU-SMDDNHRTSA-N 317.349 0.962 0 50 DCAA CNC[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)cnc2N)C1 237207908 JQDZORUEDUSBOV-VIFPVBQESA-N 318.830 0.937 0 50 DCAA O=C(O)CN1CCCC[C@@H](NC(=O)Cc2cccnc2)C1=O 902427715 GHMXIDSXGATBFK-GFCCVEGCSA-N 305.334 0.206 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COCC(=O)N1CCN(C(=O)[C@H]2CCCc3nccn32)CC1 377408403 FHUTUEAXIVMRAQ-GFCCVEGCSA-N 306.366 0.078 0 50 DCAA O=C(CCn1c(CO)nc2ccccc21)N[C@@H]1COCC[C@H]1O 220186382 KDPPCQZFHRHJKY-TZMCWYRMSA-N 319.361 0.185 0 50 DCAA C[C@@H](Cn1cncn1)NC(=O)Nc1cccc2c1OCC(=O)N2 290277376 WVHGTHTVSVYZGJ-VIFPVBQESA-N 316.321 0.819 0 50 DCAA O=C(c1nc[nH]c2nccc1-2)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 614636040 KYGIUSVEUGHUEC-RAIGVLPGSA-N 316.361 0.912 0 50 DCAA Nc1ncccc1CN1CC[C@]2(CCCN(CCO)C2=O)C1 92004569 HZUDRAKPLWZGQQ-MRXNPFEDSA-N 304.394 0.471 0 50 DCAA O=C(CC[C@@H]1NC(=O)NC1=O)NCc1ccc2c(c1)OCO2 92080899 KFEVXUJDNWHDKB-VIFPVBQESA-N 305.290 0.020 0 50 DCAA COCCCN1CC2(CCN(c3nccc(N)n3)CC2)CC1=O 95379599 YZFILTIATNZXBX-UHFFFAOYSA-N 319.409 0.914 0 50 DCAA O=C(NCCS(=O)(=O)N1CCCC1)c1ccc2nccn2c1 92097540 WSHZJDMBXTYTCS-UHFFFAOYSA-N 322.390 0.490 0 50 DCAA Cc1onc(C(=O)N[C@@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)c1CO 243957135 CGJDPWYWZWBPPK-SUZMYJTESA-N 320.349 0.451 0 50 DCAA CCCNc1ncc(CN2CCN3CCN(C)C[C@H]3C2)cn1 244795098 QZLFERIXCXCCIW-HNNXBMFYSA-N 304.442 0.730 0 50 DCAA CC[C@@]1(C)NC(=O)N(NC(=O)COc2cccc(OC)c2)C1=O 299448168 FNHGPOCAGKVRKB-OAHLLOKOSA-N 321.333 0.826 0 50 DCAA Cc1ccnn1CCC(=O)N[C@H]1COC[C@@H]1N1CCCCC1 534579715 DCJVDACOMOSREZ-GJZGRUSLSA-N 306.410 0.951 0 50 DCAA Cn1ccc2c(C(=O)N[C@@H]3CO[C@@H]4[C@H](O)CO[C@H]34)cccc21 1940197423 PGSIAEKCIOXEBO-NMFUWQPSSA-N 302.330 0.435 0 50 DCAA O=C(CCN1CCCCC1=O)NCCN1CCCC[C@H]1CO 670438028 DMACGBUNSDORTG-AWEZNQCLSA-N 311.426 0.352 0 50 DCAA CCn1ncnc1[C@@H](C)NC(=O)CCC(=O)Nc1nncs1 952988169 MPMPKLAXGJRGKO-MRVPVSSYSA-N 323.382 0.746 0 50 DCAA CN(C)C(=O)CCN(C)C(=O)/C=C/c1cnc(N(C)C)nc1 952968096 ASKOVXNXUIELFA-VOTSOKGWSA-N 305.382 0.493 0 50 DCAA O=C(CCSc1ccc2c(c1)OCCO2)N[C@H]1CNC[C@@H]1O 1565514215 VEHMDLUGRQXZPP-RYUDHWBXSA-N 324.402 0.389 0 50 DCAA C[C@@]1(NC(=O)C(F)F)CCN(C(=O)c2cnc3n2CCC3)C1 1390186760 OEIPULVWBZMLLF-CQSZACIVSA-N 312.320 0.815 0 50 DCAA CCn1cc(S(=O)(=O)N[C@H]2CCCS(=O)(=O)C2)nc1C 408060132 SHGPFRKFVOOTFQ-JTQLQIEISA-N 321.424 0.067 0 50 DCAA C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)c1ncn(C(C)(C)C)n1 408359269 LJLDOKBCKDRDIK-NWDGAFQWSA-N 309.414 0.560 0 50 DCAA O=C(O)[C@@H]1CCN(C(=O)c2ccc(N3CCNC3=O)cc2)C1 269166973 FUKLPQURDNHQBM-LLVKDONJSA-N 303.318 0.763 0 50 DCAA O=C(Cn1c(=O)sc2ccccc2c1=O)NC[C@@H]1CCCO1 274772110 VCNBJAADVHBXGC-JTQLQIEISA-N 320.370 0.718 0 50 DCAA C[C@@H](c1nnnn1C1CC1)N1CCC(N2CCCNC2=O)CC1 192122740 UVKSBQIQLGAGOV-NSHDSACASA-N 319.413 0.949 0 50 DCAA CCn1cc(S(=O)(=O)N[C@@H](C(=O)O)C2CCOCC2)cn1 776527279 SJSXIEFIOSRXNN-LLVKDONJSA-N 317.367 0.061 0 50 DCAA O=C(N1CCS(=O)(=O)CC1)N1CC[C@@H](N2CCCC2)C1 378251823 WYNWMJXQHJAHMS-GFCCVEGCSA-N 301.412 0.007 0 50 DCAA O=C(Cn1nc2ccccc2n1)N1CCC([C@H](O)CO)CC1 1772709092 HPWXQKHXCPIQLX-CQSZACIVSA-N 304.350 0.023 0 50 DCAA COC(=O)c1ccc(NC(=O)C[C@H]2SC(=N)NC2=O)cc1 5558162 SOZTYNOOCQSWJW-SECBINFHSA-N 307.331 0.968 0 50 DCAA Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1cccc(O)c1 12549607 WCUXYURPHKHGIK-UHFFFAOYSA-N 311.301 0.679 0 50 DCAA biogenic Cc1cc(C)c(OC[C@H](O)CN2CCN(CCO)CC2)c(C)c1 19770820 WGZWASWNFQPPFI-QGZVFWFLSA-N 322.449 0.961 0 50 DCAA CCc1cncc(C(=O)N2C[C@@H]3COCC[C@@]3(C(N)=O)C2)c1 1857528092 GKEKKAAXCNONFR-CZUORRHYSA-N 303.362 0.608 0 50 DCAA O=C1C[C@H]2CN(C(=O)c3cc(=O)n(-c4ccccc4)[nH]3)C[C@H]2N1 1857679438 LVSZIWOVJBDXJT-GXFFZTMASA-N 312.329 0.126 0 50 DCAA O=C(N[C@@H]1COc2ccccc2C1)c1cn2c(n1)CCNCC2 1857722641 LFRRPVQDHBAOAC-ZDUSSCGKSA-N 312.373 0.762 0 50 DCAA CN1C(=O)[C@H]2COC[C@@H]1CN(CCOCc1ccccc1)C2 1875241372 VNCRDQAYGPCTOO-CVEARBPZSA-N 304.390 0.992 0 50 DCAA CN(Cc1nnnn1C)[C@H]1CCCN(c2ccccc2)C1=O 363219078 OUDZGDQXILHAKG-ZDUSSCGKSA-N 300.366 0.838 0 50 DCAA Cc1cnn(C)c1S(=O)(=O)N[C@@H]1Cc2ccccc2[C@H]1N 903549878 JNGRWQRJPKSDEO-CHWSQXEVSA-N 306.391 0.632 0 50 DCAA COCCN1C[C@@H](C(=O)Nc2nccnc2C2CC2)CC1=O 906412561 MYKQJHSPNDMABV-NSHDSACASA-N 304.350 0.787 0 50 DCAA C[C@@](O)(CN1CCC[C@@H](N2CCNCC2=O)C1)C(F)(F)F 952877369 OZAUOBKIZXCOFS-ZYHUDNBSSA-N 309.332 0.196 0 50 DCAA CS(=O)(=O)c1cccnc1C(=O)N[C@H]1CCn2nccc2C1 1875285905 FXKPITSSAIALLK-JTQLQIEISA-N 320.374 0.426 0 50 DCAA CSCC[C@H](NC(=O)c1cnc2n1C[C@@H](C)CC2)C(N)=O 1875318426 PBYRFHGITQOQEF-UWVGGRQHSA-N 310.423 0.802 0 50 DCAA Cc1nnc([C@H]2CCCN(C(=O)CN3CCOCC3=O)[C@H]2C)o1 886084960 OGXDOMPGFQHHFC-JQWIXIFHSA-N 322.365 0.331 0 50 DCAA CCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 4821484 RKEDSJXDPXDTFL-UHFFFAOYSA-N 312.391 0.766 0 50 DCAA Cn1nnnc1SCCNCc1ccc2c(c1)OCCO2 4999748 RVWHSNPIEGOUBI-UHFFFAOYSA-N 307.379 0.863 0 50 DCAA CN1CCO[C@H]2CCN(S(=O)(=O)c3ccccc3F)C[C@@H]21 225451536 LGFZFXWUAUTRJM-STQMWFEESA-N 314.382 0.919 0 50 DCAA CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CCCCO2)CC1=O 248893924 GFTQCWCADGIKDP-KBPBESRZSA-N 309.410 0.873 0 50 DCAA NC(=O)NC(=O)CCNC(=O)[C@@H]1CCN(C2CCCCC2)C1 137081840 JIHFZIDPEQVCMW-LLVKDONJSA-N 310.398 0.342 0 50 DCAA Cc1cc(F)ccc1OC1(C(=O)O)CCN(C(=O)CO)CC1 72425495 OJBJIXPUWAEPCM-UHFFFAOYSA-N 311.309 0.951 0 50 DCAA Cc1nc(C)c(CC(=O)N2CCC[C@@]3(CNC(=O)O3)C2)c(=O)[nH]1 72167081 MXRDDDALDQNWIM-OAHLLOKOSA-N 320.349 0.030 0 50 DCAA CNCCN1C(=O)CC[C@H]2CN(C(=O)Cn3cccc3)CC[C@H]21 72420370 PBRMYBKSVHOXHU-LSDHHAIUSA-N 318.421 0.547 0 50 DCAA CCc1nc(C2CCN(C(=O)[C@@H]3C[C@H](OC)CN3C)CC2)n[nH]1 329134207 PZOKAAPPYSGRMB-STQMWFEESA-N 321.425 0.792 0 50 DCAA CN(C)C/C=C/C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 493222562 BNHBUBZWYRWIPL-ZCRIDZFUSA-N 324.402 0.455 0 50 DCAA Cc1cc(C(=O)N2CCC(=O)N(CCN(C)C)CC2)cc(C)n1 215381131 AWRUOMMPZOABNG-UHFFFAOYSA-N 318.421 0.935 0 50 DCAA O=C(CN1CCCS1(=O)=O)NC[C@H]1Cc2ccccc2O1 129296218 UBQFGIHFQCAKOP-GFCCVEGCSA-N 310.375 0.142 0 50 DCAA C[C@]12CN(C(=O)CN3CCCS3(=O)=O)C[C@@H]1[C@@H]1CC[C@H]2C1 333552247 UWGXMWKXNRPVBN-QVHKTLOISA-N 312.435 0.917 0 50 DCAA CCOC(=O)C[C@H](NC(=O)c1ccc(N)cc1)C(=O)OCC 44125291 NFYBFXGDBKRYRE-LBPRGKRZSA-N 308.334 0.884 0 50 DCAA Cc1cccc([C@@H]2C[C@H]2[C@H](C)NC(=O)NC(C(N)=O)C(N)=O)c1 240465892 GBEBFFXJHBVCIL-DLOVCJGASA-N 318.377 0.125 0 50 DCAA CCN(C(=O)c1ccc2c(c1)CCN2C(C)=O)[C@H]1CCNC1=O 282960846 INRFUKCLHBSPKF-HNNXBMFYSA-N 315.373 0.946 0 50 DCAA CCn1nc(CC(C)C)cc1C(=O)N1C[C@@H](N)C[C@H]1C(=O)O 82138806 VFGCHIQWHDWJMS-GWCFXTLKSA-N 308.382 0.728 0 50 DCAA Cn1nnc(-c2cccc(NC(=O)N3CCC[C@@H]3C(N)=O)c2)n1 426620020 KJRRASHWPPBWFJ-LLVKDONJSA-N 315.337 0.359 0 50 DCAA NC1CC(c2cc(NCCCN3CCC(O)CC3)ncn2)C1 220221196 MITPXVNRPPQYEM-UHFFFAOYSA-N 305.426 0.940 0 50 DCAA CN1C(=O)N[C@@H]2CN(c3ncncc3Br)CC[C@@H]21 284464100 CYZMXHSHAMLXIP-BDAKNGLRSA-N 312.171 0.841 0 50 DCAA O[C@@]1(c2c[nH]nn2)CCN(c2ncnc3cccc(F)c23)C1 284587287 PZZVGXDIRNSVNO-AWEZNQCLSA-N 300.297 0.985 0 50 DCAA CS(=O)(=O)NCCC(=O)N1CC[C@@H](Oc2ccccc2)C1 426420574 JPSVLAWFBPLDHM-CYBMUJFWSA-N 312.391 0.606 0 50 DCAA CCc1noc([C@H]2CCC(=O)N(CCN3CCOCC3)C2)n1 91391128 LBVPDQJNIJKIOH-LBPRGKRZSA-N 308.382 0.670 0 50 DCAA O=C(c1nc[nH]c2nccc1-2)N1CCS(=O)(=O)C[C@H]1C1CC1 615766553 DPJGXYRAUDEOCE-NSHDSACASA-N 320.374 0.559 0 50 DCAA Cc1cccc2nc(CN(C)C(=O)[C@H](C)NS(C)(=O)=O)[nH]c12 244873298 WNQDZCQNGZLKRX-JTQLQIEISA-N 324.406 0.767 0 50 DCAA CN1CCN(CCC(=O)N[C@@H](CC(=O)O)c2ccccc2)CC1 244811477 SDLMEPRJBHRDMP-HNNXBMFYSA-N 319.405 0.956 0 50 DCAA CCN1C[C@H](NS(=O)(=O)Cc2ccc(F)cc2)[C@@H](OC)C1 534645469 VGXIWPZBSVUXEN-KBPBESRZSA-N 316.398 0.964 0 50 DCAA CN(C)S(=O)(=O)NC1CCN(C(=O)N2CCCC2)CC1 827931216 WNARGGHXXDLMQN-UHFFFAOYSA-N 304.416 0.063 0 50 DCAA O=C(NCc1nc(-c2ncccn2)no1)N1CCSCC1 584890221 VHAOQNKPPRTFKN-UHFFFAOYSA-N 306.351 0.785 0 50 DCAA CC(C)(C)N1C[C@H](Cn2cnc3nccnc3c2=O)CC1=O 584894880 IMOGVJLLZHLRLB-JTQLQIEISA-N 301.350 0.834 0 50 DCAA COCc1noc(-c2ccc(NCCN3CCNC3=O)nc2)n1 72478248 QPUYHRQCEBBRSF-UHFFFAOYSA-N 318.337 0.715 0 50 DCAA C[C@]1(O)CCN(C(=O)c2cnc(-c3ccncc3)nc2)C[C@H]1O 1565516697 SLHPDCCEQXZJFI-CJNGLKHVSA-N 314.345 0.496 0 50 DCAA O=C(N[C@H]1CCOC[C@@H]1Oc1ccccn1)c1cnc(O)[nH]1 1565514525 LRQOAYPOILGPMQ-ONGXEEELSA-N 304.306 0.477 0 50 DCAA O=S(=O)(N[C@@H]1CCC[C@@H]1N1CC[C@@H](O)C1)c1ccco1 643771375 QESLMJZIJUWGTF-UTUOFQBUSA-N 300.380 0.546 0 50 DCAA Cc1noc(COCC(=O)N2C[C@H](N)CC[C@@H]2C(F)(F)F)n1 583619795 IETFJMQUWPFXJW-RKDXNWHRSA-N 322.287 0.775 0 50 DCAA CO[C@@H]1CS(=O)(=O)C[C@@H]1N[C@@H]1CCC[C@H]([C@H]2CCOC2)C1 657607285 YKEVIVRZZOXQNF-SBJFKYEJSA-N 317.451 0.983 0 50 DCAA CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CCCC[C@@]23CCOC3)O1 1615615331 OFZUAOJMBSWPIF-ZENOOKHLSA-N 310.394 0.794 0 50 DCAA O=C(c1ccc2nn[nH]c2c1)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704344200 QTUGVVYSQDBUQI-IAQYHMDHSA-N 324.344 0.424 0 50 DCAA CC(=O)N1CCCC[C@@H]1C(=O)NCC1(S(C)(=O)=O)CC1 332205615 UHXDZUWZCMZALV-LLVKDONJSA-N 302.396 0.081 0 50 DCAA NC(=O)C[C@]1(O)CCCN(c2ncncc2Br)C1 643714004 JBLQYYSAYZOXDY-LLVKDONJSA-N 315.171 0.446 0 50 DCAA CC1(C)O[C@@H]2O[C@H]([C@@H](O)COC(=O)c3ccccc3)[C@H](O)[C@@H]2O1 5500098 YZTNJMSUDMOQJM-AIUMHDJVSA-N 324.329 0.442 0 50 DCAA CC(C)[C@H]1NC(=O)[C@H]2CN(CCc3ccccc3)CCN2C1=O 14750593 NZXXBQSVCMHTCC-HZPDHXFCSA-N 315.417 0.896 0 50 DCAA CCN1CCN(C[C@H](O)COCc2ccc3c(c2)OCO3)CC1 19790782 SGZVHJPSMOCNHN-HNNXBMFYSA-N 322.405 0.930 0 50 DCAA COc1ccc2cc1OCCNCCCNC(=O)[C@H]1CNC[C@H]21 1857724476 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312.333 0.190 0 50 DCAA Cc1nsc(N2CCN(C(=O)c3cccc(=O)n3C)CC2)n1 124135830 IPTHHAJJHWQIJL-UHFFFAOYSA-N 319.390 0.508 0 50 DCAA O=C(O)[C@@H]1CN(C(=O)c2ccc(N3CCNC3=O)cc2)CCO1 262420664 QBIGSYGEVDQHMU-LBPRGKRZSA-N 319.317 0.142 0 50 DCAA NC(=O)[C@]1(O)CCCN(CCN2CCCc3ccccc32)C1 367488659 CQLCBHWEEGZWRK-KRWDZBQOSA-N 303.406 0.751 0 50 DCAA COCCN(Cc1cnn(C)c1)C(=O)c1nc[nH]c1C(=O)O 215173833 LRDWFWIKIDDICN-UHFFFAOYSA-N 307.310 0.130 0 50 DCAA O=C(c1cc(=O)c2ccccc2[nH]1)N1CC[C@H](CO)[C@@H](O)C1 72153011 XWXGUMIPBCXCMP-BMIGLBTASA-N 302.330 0.343 0 50 DCAA C[C@H]1C[C@H](C)CN(C(=O)Cn2nnc(-c3ccncn3)n2)C1 333716346 QOKAGSQEKVNAFB-QWRGUYRKSA-N 301.354 0.635 0 50 DCAA Cc1nc(C[C@H]2CCCN(C(=O)CNC[C@@H]3CCCO3)C2)no1 237773471 CZBJMVPXVSKLKG-KGLIPLIRSA-N 322.409 0.928 0 50 DCAA COc1cccc([C@H]2C[C@H](O)CN2c2ccc3nnnn3n2)c1 336928813 NWSPUXNAFBYDOU-WCQYABFASA-N 312.333 0.840 0 50 DCAA C[C@@H](CNS(=O)(=O)[C@H]1CCCOC1)N1CCCCC1=O 242389662 ZZJUQMYYJADQQY-RYUDHWBXSA-N 304.412 0.486 0 50 DCAA 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DCAA COCCn1cnnc1CCNc1ncc(F)c(N(C)C)n1 1704327424 FAFKXAXDUKOHQK-UHFFFAOYSA-N 309.349 0.574 0 50 DCAA CCc1c(C)nn(CC(=O)N2CCOC[C@@H](C(=O)O)C2)c1C 1775983232 UMIQHPUBQSJXST-LBPRGKRZSA-N 309.366 0.622 0 50 DCAA Cc1nn(C)cc1S(=O)(=O)NCc1cc(C(F)(F)F)n[nH]1 1775987040 KZPRQYYHUSXFAL-UHFFFAOYSA-N 323.300 0.949 0 50 DCAA Cc1ccc(OC[C@@H](C)NS(=O)(=O)c2nnn(C)n2)cc1 1875289737 LNRZAQIPUJPNRC-SNVBAGLBSA-N 311.367 0.264 0 50 DCAA Cn1nccc1CC1CCN(C(=O)c2cc(O)nn2C)CC1 1875293980 JMFLMMGPXQCNEK-UHFFFAOYSA-N 303.366 0.954 0 50 DCAA CCc1nc(O)ccc1C(=O)N1CCO[C@H](c2nn[nH]n2)C1 2356143595 OUBZNBQPJFJMLA-JTQLQIEISA-N 304.310 0.076 0 50 DCAA CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O 1533877 MPBVHIBUJCELCL-UHFFFAOYSA-N 319.231 0.500 0 50 DCAA biogenic,fda COc1cc(OC)cc(N2C(=O)C[C@@H](N3CCOCC3)C2=O)c1 18195547 BGFOYAGBMXNBLR-CQSZACIVSA-N 320.345 0.668 0 50 DCAA C[C@@H](CC1=CCCN(CC(N)=O)C1)NC(=O)c1cccnc1 67654199 ZKKYGJBXTZEEBV-LBPRGKRZSA-N 302.378 0.707 0 50 DCAA CC(C)C[C@@H](NC(=O)C1(N)CC1)c1nnc2n1CCNCC2 67822129 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CCc1cccc(NC(=O)CN2CCO[C@H](C)[C@H]2C(N)=O)c1 285257333 RRDVYPOHFJGTBZ-ABAIWWIYSA-N 305.378 0.762 0 50 DCAA CCn1nncc1C(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 293334942 KQBUNEKGGGBEOI-NSHDSACASA-N 305.382 0.961 0 50 DCAA CC(C)(C)c1nc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)no1 299739360 NQBGZKHLDXYVNH-VIFPVBQESA-N 319.369 0.899 0 50 DCAA NC(=O)[C@@H]1CN(C(=O)c2cncc(O)c2)C[C@H]1C(F)(F)F 299740990 CPPVXJJFDPCMBO-RKDXNWHRSA-N 303.240 0.523 0 50 DCAA C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H]2Cc3ccccc3CN2)CC1=O 299752434 UDEIRFMPDGCATQ-FWYOQMDTSA-N 313.401 0.826 0 50 DCAA Cc1ccc2[nH]c(CCNC(=O)CN3CCC[C@@H](O)C3)nc2c1 299799580 SLUJFDSMGVCNIN-CYBMUJFWSA-N 316.405 0.987 0 50 DCAA O=S(=O)(NCCN1C[C@@H](F)C[C@H]1CO)c1ccccc1 330576810 RHQIWYSOCYTXPY-RYUDHWBXSA-N 302.371 0.370 0 50 DCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cn(C(C)(C)C)nc2C)C1 345065982 VFDFLQGSMVEHPA-JQWIXIFHSA-N 308.382 0.661 0 50 DCAA Cc1nc(CN2CCC[C@@H](N(C)CC3(O)CCOCC3)C2)no1 372779632 IHKQCHJZVVTYLY-CQSZACIVSA-N 324.425 0.816 0 50 DCAA COCCc1nc(CNc2cc([C@H]3CCOC3)nc(C)n2)no1 426386992 XPIPXNAOBYFZRL-NSHDSACASA-N 319.365 1.473 0 50 DCAA COc1ncc(C(=O)NCCCOC2CCN(C)CC2)cn1 426547623 MLUHDPABDXYOBF-UHFFFAOYSA-N 308.382 0.716 0 50 DCAA N[C@H]1CCCN(S(=O)(=O)CCOc2ccc(F)cc2)C1 534591489 SFVVCTTXXXPSLM-LBPRGKRZSA-N 302.371 0.957 0 50 DCAA O=C(NCCn1nc(-c2ccccc2)ccc1=O)[C@H]1C=CCN1 534643440 MPSCUWGFNOCROU-OAHLLOKOSA-N 310.357 0.555 0 50 DCAA Cn1cncc1CCNC(=O)[C@H]1COCCN1CC1CCC1 585083089 RIHSXAOPMNTART-OAHLLOKOSA-N 306.410 0.580 0 50 DCAA CN1CCO[C@H](CS(=O)(=O)N2CCC[C@@H]2C2CCC2)C1 631897292 SNPQXMYZTZGHLW-UONOGXRCSA-N 302.440 0.911 0 50 DCAA O=C(O)[C@@H]1Cn2c(O)nnc2CN1C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 653290003 GDULTNPZFYFZOQ-YTWAJWBKSA-N 318.333 0.381 0 50 DCAA Cc1nnc(CN2CCC3(CC2)N=C(N(C)C)NC3=O)s1 825296743 KPJGQWJDKKHVQA-UHFFFAOYSA-N 308.411 0.229 0 50 DCAA CS(=O)(=O)CCn1ccc(NC(=O)C2(C(=O)O)CCC2)n1 852947116 FRIPNEZVIAWTFX-UHFFFAOYSA-N 315.351 0.121 0 50 DCAA COc1cccc(Cn2nnc(C(C)(C)S(C)(=O)=O)n2)n1 901743823 GIAJYGUMLYWTQF-UHFFFAOYSA-N 311.367 0.405 0 50 DCAA CN(CC(C)(CO)CO)C(=O)c1ccccc1CCC(=O)O 911406760 WYVIZSBDTWLAQK-UHFFFAOYSA-N 309.362 0.767 0 50 DCAA NC(=O)CN1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccccn2)C1 952971295 XQXBTBUJBUTISY-HIFRSBDPSA-N 316.405 0.942 0 50 DCAA O=C([C@@H]1CCN(c2ccccc2)C1)N1CC(NC2COC2)C1 1412734611 IVPKLKNPBKNSPV-CYBMUJFWSA-N 301.390 0.712 0 50 DCAA C=CC(=O)Nc1ccc(C(=O)N[C@@H]2CC(=O)N(C)C2=O)cc1 1448420113 PHOOQKGSKSITNW-LLVKDONJSA-N 301.302 0.298 0 50 DCAA CNCCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1C 1529166851 ADPZBOFFMMJEFJ-CABCVRRESA-N 305.378 0.229 0 50 DCAA COCCCCNS(=O)(=O)c1cccc(NCCO)n1 1616049077 NEPUUEUEDPLFTO-UHFFFAOYSA-N 303.384 0.191 0 50 DCAA Cc1cc(C[C@@H]2CN(C(=O)Cn3ccnc3C)C[C@@H]2O)n[nH]1 1704355623 UNTZSGFDPDBOHX-OCCSQVGLSA-N 303.366 0.285 0 50 DCAA O=C(N[C@H]1CCc2c[nH]nc2C1)c1cc(N2CCOCC2)no1 1772819822 USNQIWXGMOEASA-NSHDSACASA-N 317.349 0.522 0 50 DCAA O=C(O)CC[C@]1(NC(=O)c2cnn3ncccc23)CCOC1 1775999040 OXBBKCRVENRZKE-AWEZNQCLSA-N 304.306 0.483 0 50 DCAA CC(C)[C@@H](NCc1noc2c1COCC2)C(=O)N1CCOCC1 1875271364 XNGYQIKBIFZDQE-OAHLLOKOSA-N 323.393 0.720 0 50 DCAA Cc1csc(N2CCCN(C(=O)[C@@H](N)CC(=O)O)CC2)n1 1875346105 STKORIZWUKBMOJ-JTQLQIEISA-N 312.395 0.292 0 50 DCAA O=C(COc1ccccn1)N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 1875400578 DVYCSRAUHOUMDB-MGPQQGTHSA-N 316.361 0.613 0 50 DCAA COC(=O)[C@@H]1CN(C(=O)C2=NNC(=O)C2)Cc2ccccc21 2325758823 DYTISLVSCXNZHE-LLVKDONJSA-N 301.302 0.161 0 50 DCAA CS(=O)(=O)Nc1cccc(NC2CC(n3nnnc3O)C2)c1 2325822386 UNYKCLTVBOASRD-UHFFFAOYSA-N 324.366 0.566 0 50 DCAA N=c1nc(C2CCCC2)[nH]c(=NC2CC3(CCNC3=O)C2)[nH]1 2325854287 WEUDSCCRMHOFCC-UHFFFAOYSA-N 302.382 0.444 0 50 DCAA Cc1cn2nnc(C(=O)NC[C@@H](N)c3ccccc3)c2c(O)n1 2325858700 XPQZZSCTSHEYJN-LLVKDONJSA-N 312.333 0.568 0 50 DCAA CN1CCOC2(CCN(C(=O)[C@](C)(O)C(F)(F)F)CC2)C1 2356164095 FFQQCFTVVDPOKZ-NSHDSACASA-N 310.316 0.623 0 50 DCAA NC(=O)c1cc(N2CCC(N3CCCNC3=O)CC2)ccn1 132848927 IDISLFRNGRTIAA-UHFFFAOYSA-N 303.366 0.565 0 50 DCAA NCCCCNC(=O)C(=O)N[C@H]1COc2ccc(Cl)cc21 419091882 FIVVLXVEDJBOLY-NSHDSACASA-N 311.769 0.745 0 50 DCAA CNc1ccnc(N2CCC(n3cc(CCO)nn3)CC2)n1 20538995 KKOQSODYQIAWNT-UHFFFAOYSA-N 303.370 0.486 0 50 DCAA CCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCN(C)C)C1 65362980 MRXBMPRZXXZATO-GFCCVEGCSA-N 305.444 0.116 0 50 DCAA CCN(CC)C(=O)CN(C)S(=O)(=O)N1CCC[C@@H](C)C1 229663185 KARRNGHQTHVHSG-GFCCVEGCSA-N 305.444 0.763 0 50 DCAA CO[C@H]1CNC[C@@H]1NC(=O)CCc1nc(-c2ccccc2)no1 77439326 JDAGQPHCKQUYAH-STQMWFEESA-N 316.361 0.772 0 50 DCAA C[C@@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)C(=O)O 71375549 LTDZZHZNWVZEHS-SNVBAGLBSA-N 301.302 0.500 0 50 DCAA Cc1cc(N2CCN(C(=O)CN3CCOC3=O)CC2)cc(C)n1 77358763 AZKOPMUANLUCKO-UHFFFAOYSA-N 318.377 0.799 0 50 DCAA Cc1nc2n(n1)C[C@H](NC[C@H](O)COC[C@H]1CCCO1)CC2 257365340 NDUGJWXFBFAQOW-HZSPNIEDSA-N 310.398 0.047 0 50 DCAA O=C(c1ccc2nccn2c1)N1CCN([C@@H]2CCOC2)CC1 363902519 YXCYGTRHEPLKOV-CQSZACIVSA-N 300.362 0.881 0 50 DCAA CNC(=O)COc1cccc(CC(=O)N2CCOCC[C@H]2C)c1 367644640 LPAYJVSDLFYCNN-CYBMUJFWSA-N 320.389 0.991 0 50 DCAA O=C(CN1CCCC[C@@H]1CCn1cccn1)N1CCOCC1 77337241 WBISYWOQPQNTIC-OAHLLOKOSA-N 306.410 0.987 0 50 DCAA NC(=O)[C@@]1(O)CCN(CCCOc2ccc3c(c2)OCO3)C1 372693195 VLLPVKVCCOIDLM-OAHLLOKOSA-N 308.334 0.106 0 50 DCAA CN1C[C@]2(CCN(C(=O)c3c4c(nn3C)CCCC4)C2)OC1=O 72170397 CJHSGBDUMWQANH-INIZCTEOSA-N 318.377 0.966 0 50 DCAA C[C@H]1OCCN(C(=O)c2ccc(N(C)C)cc2F)[C@@H]1C(N)=O 284924782 BUEBEHZGTXFHAA-RNCFNFMXSA-N 309.341 0.607 0 50 DCAA Cc1nc(C)n(CCCNC(=O)[C@@H](C)N2CCN(C)CC2)n1 426647857 BROJFJZZJIGKIB-GFCCVEGCSA-N 308.430 0.037 0 50 DCAA C[C@H](NC(=O)CN1CCOC1=O)c1ccc(-n2cncn2)cc1 222419194 HOUZQMQMNYNPCB-NSHDSACASA-N 315.333 0.897 0 50 DCAA CN1CC[C@@]2(CCC1=O)CN(C(=O)c1ccon1)CCN2C 91694232 ULVGPYXSFXVEKZ-HNNXBMFYSA-N 306.366 0.443 0 50 DCAA O=C1CC[C@@H](c2nc(CN3CCOCC3)no2)CN1C1CC1 91848948 QIGZYXVMRBYQGD-LLVKDONJSA-N 306.366 0.770 0 50 DCAA CNCc1nnc(SCc2n[nH]c(C)n2)n1C[C@@H]1CCCO1 426535883 NPFZDNVQYRGVQU-JTQLQIEISA-N 323.426 0.895 0 50 DCAA COCCN1CCC[C@]2(CCN(C(=O)c3cc(O)no3)C2)C1=O 91411934 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0.361 0 50 DCAA COC(=O)c1nnn(-c2nonc2N)c1CN1CCC(C)CC1 51814 CFKCOWSKGMZMFT-UHFFFAOYSA-N 321.341 0.251 0 50 DCAA O=C(CCn1cc(Cl)cn1)N1CCC[C@@](O)(CO)CC1 72143031 XLGBEAIGCIZANT-ZDUSSCGKSA-N 301.774 0.663 0 50 DCAA CCn1cc(C2=NO[C@@H](C(=O)NC[C@H]3CCCO3)C2)c(C)n1 6804902 HEOVTMGUVIZSNV-BXUZGUMPSA-N 306.366 1.000 0 50 DCAA CSC[C@@H](C)C(=O)N1CCO[C@@H](CN(C)CC(=N)O)C1 328654395 XJMMWCHBODWMDB-MNOVXSKESA-N 303.428 0.680 0 50 DCAA O=C(N[C@@H]1COCC[C@H]1Oc1ccccn1)c1ccnnc1 219635434 LDBYDWMTQVIIPS-CHWSQXEVSA-N 300.318 0.838 0 50 DCAA CCc1ccsc1C(=O)N1C[C@H](N(C)CC(=O)O)[C@H](O)C1 328603054 DPFNXBGCMFOYHT-WDEREUQCSA-N 312.391 0.512 0 50 DCAA CN(Cc1cn2c(n1)CCCC2)S(=O)(=O)c1cnn(C)c1 328632404 RSYCIPPDFJBMAE-UHFFFAOYSA-N 309.395 0.774 0 50 DCAA C[C@@H]1COCCN1S(=O)(=O)N1C[C@H]2CCCN2C[C@H]1C 257365504 GJMNGNZVQPOBDA-JHJVBQTASA-N 303.428 0.120 0 50 DCAA O=S(=O)(c1ccc2nc(O)oc2c1)N1CCO[C@@H](CF)C1 332581279 BRGAKWLJFQBLET-QMMMGPOBSA-N 316.310 0.892 0 50 DCAA O=C(O)[C@@H]1COCCN1S(=O)(=O)c1cccc(F)c1F 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316.199 0.828 0 50 DCAA C[C@H]1CN(C(=O)CNCC(F)(F)F)CC2(CCOCC2)O1 365840373 VRNZEHWDVVESKX-JTQLQIEISA-N 310.316 0.935 0 50 DCAA CCOC(=O)C1=C(CC)N[C@]2(O)c3ccccc3C(=O)[C@@]12O 19300826 RIUUQYALSGAKLQ-HOTGVXAUSA-N 303.314 0.590 0 50 DCAA O=C1Nc2ccc(Br)cc2[C@]1(O)N1CCOCC1 4164590 OXYSQVHVWYQBAL-GFCCVEGCSA-N 313.151 0.879 0 50 DCAA O=C1C[C@H]2CN(CC(=O)N3CCOc4ccccc43)C[C@H]2N1 1857684501 QHRBZWDUOYFSPD-NWDGAFQWSA-N 301.346 0.232 0 50 DCAA CC(C)(CNC(=O)Nc1cnn(C[C@H]2CCCO2)c1)C(N)=O 122822256 ZRQNAEVWVUERDZ-LLVKDONJSA-N 309.370 0.695 0 50 DCAA CNC(=O)C[C@]1(O)CCCN(c2nnnn2-c2ccccc2)C1 643721057 RHEFSJZKKFCELD-OAHLLOKOSA-N 316.365 0.130 0 50 DCAA CN(C)C[C@@H]1CCN(C(=O)NCC(C)(C)N2CCOCC2)C1 129301127 YCXKXRNNHGQUPP-AWEZNQCLSA-N 312.458 0.690 0 50 DCAA C[C@@H](CC(=O)N1C[C@H](O)[C@H](O)[C@H](O)C1)Cc1cccc(F)c1 585127736 ICBSSZIMWJXKNY-HPAJIGNASA-N 311.353 0.319 0 50 DCAA Cc1cc(N2C[C@@H](C(=O)N[C@@H](C)C(N)=O)CC2=O)ccc1F 161529768 ABWBOOLDPDZIFJ-UWVGGRQHSA-N 307.325 0.477 0 50 DCAA CN1C(=O)[C@H]2COC[C@@H]1CN(Cc1ccc(-c3cc[nH]n3)o1)C2 1704335891 IAAUXZAUXDSTQR-NEPJUHHUSA-N 316.361 0.959 0 50 DCAA C[C@H]1CCCCN1C(=O)CN(C)Cc1cnn2c1CNCC2 952890362 ZEAROKCPHAWQOH-ZDUSSCGKSA-N 305.426 0.819 0 50 DCAA CN(C)CCn1ccc(C(=O)N[C@H]2CCn3nccc3C2)n1 1875285902 FRTZHKXXEWLIDR-LBPRGKRZSA-N 302.382 0.386 0 50 DCAA O=C(N1CCC(n2[nH]c(C3CC3)nc2=O)CC1)[C@@]12C[C@@H]1[C@H](O)C2 1875313332 OZTYFVSOIDUVIK-XHBSWPGZSA-N 318.377 0.383 0 50 DCAA CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2 1875319058 PLIJUKQQJCHGEE-BBFKJOKFSA-N 306.406 0.911 0 50 DCAA CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1 119498 JOBMRCLCHLUQNQ-UHFFFAOYSA-N 313.361 0.832 0 50 DCAA biogenic O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)NCCCO 4006225 GUGVWOLPOPTEEA-UHFFFAOYSA-N 312.325 0.934 0 50 DCAA O=C(O)CN1CCC(NC(=O)c2cccc3c2C(=O)NC3)CC1 2325898527 JBTKYSHJXDYWKM-UHFFFAOYSA-N 317.345 0.209 0 50 DCAA Cc1ccc(C(=O)Cn2cnc3c2c(=O)[nH]c(=O)n3C)c(C)c1 390137 YCAAVJDBUYIHRQ-UHFFFAOYSA-N 312.329 0.923 0 50 DCAA 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IEMUGTNZDVMDJE-CABCVRRESA-N 307.369 0.587 0 50 DCAA C[C@H](NC(=O)[C@@H]1CNCCO1)c1cn(-c2ccccc2)nn1 237461521 ZSLJNEPREHWLPP-FZMZJTMJSA-N 301.350 0.433 0 50 DCAA COc1cccc([C@@H]2C[C@@H](O)CN2c2ccc3nnnn3n2)c1 336928814 NWSPUXNAFBYDOU-YPMHNXCESA-N 312.333 0.840 0 50 DCAA Cc1ccc([C@@](C)(O)CNC(=O)N[C@H]2CCCCNC2=O)o1 173909382 ADXCAXGYVXZCTP-NHYWBVRUSA-N 309.366 0.763 0 50 DCAA COCCOc1ccc(CN2CCO[C@H](C)[C@H]2C(N)=O)cc1 284512782 FEXYZFIJTQOYEP-DOMZBBRYSA-N 308.378 0.786 0 50 DCAA Cn1cc(CCN2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)cn1 285415259 HAJZJDGIZAHXSE-LSDHHAIUSA-N 306.410 0.565 0 50 DCAA O=C1C[C@@]2(CCN(C(=O)c3ccc4c(c3)CCCO4)C2)C(=O)N1 82155870 ZDZIBVHGHPBBTP-QGZVFWFLSA-N 314.341 0.890 0 50 DCAA CC(=O)NC(Cc1cc(=O)[nH]c2ccccc12)(C(=O)O)C(=O)O 141445300 IPDTZVOWGHSNIR-UHFFFAOYSA-N 318.285 0.115 0 50 DCAA CCN(CCO)C[C@@H]1CN(c2ncnc(C)c2C)C[C@@H]1CO 91548181 HIOSOIOYGSUCCF-HUUCEWRRSA-N 308.426 0.452 0 50 DCAA Cc1ccc2[nH]c(CNCC(=O)N3CCNCC3)cc(=O)c2c1 95361664 HGDDBPRDTWSYOR-UHFFFAOYSA-N 314.389 0.358 0 50 DCAA Cc1nc([C@@H]2CCCN2CC(=O)N[C@H]2CCCCNC2=O)no1 248037354 NQFYJYPQWYXNGK-RYUDHWBXSA-N 321.381 0.300 0 50 DCAA CC(C)n1cnnc1[C@H](C)NC(=O)CCN1CCN(C)CC1 244673754 HUXFNGPLHWKNPG-ZDUSSCGKSA-N 308.430 0.674 0 50 DCAA CC(=O)c1cccc(C(=O)N2CCN(C(C)=O)C[C@@H](O)C2)c1 299788238 XVNLELPDTOHKME-OAHLLOKOSA-N 304.346 0.554 0 50 DCAA COC(=O)N1CCCC[C@@H]1C(=O)NCCc1nc(C)cc(O)n1 584902181 UXYZINSFNSWWFB-LLVKDONJSA-N 322.365 0.770 0 50 DCAA CN1CCN([C@H]2CCN(C(=O)c3c(O)cccc3F)C2)CC1 584898154 HVMYZUBPTQEDAI-LBPRGKRZSA-N 307.369 0.993 0 50 DCAA CN1C[C@@]2(CCN(Cc3nc4ccccc4[nH]3)C2)OCC1=O 670472356 KMQPHBSZCPFCMG-MRXNPFEDSA-N 300.362 0.996 0 50 DCAA O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)c1cccc(CO)c1 685941500 DERDPHAAMDHRHK-UONOGXRCSA-N 303.318 0.478 0 50 DCAA Cc1cc(N(C)C2CCN(S(C)(=O)=O)CC2)n2ncnc2n1 268238844 GZPYHDXUNQZXDS-UHFFFAOYSA-N 324.410 0.293 0 50 DCAA Cc1ccc(OCCS(=O)(=O)N[C@@H]2CNCC[C@@H]2O)cc1 1565515614 HIWIPSODEFROTM-KGLIPLIRSA-N 314.407 0.016 0 50 DCAA 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314.389 0.919 0 50 DCAA CN(C1CCCC1)S(=O)(=O)NCc1nc(C(C)(C)O)n[nH]1 1776005277 FRSKNGMGLAREDS-UHFFFAOYSA-N 317.415 0.241 0 50 DCAA Cn1c(=O)c2c(nc(Oc3ccc(F)cc3)n2C)n(C)c1=O 97445 PWVWOSNJQCSDQE-UHFFFAOYSA-N 304.281 0.902 0 50 DCAA CCc1c(C)nc2nc(=NC(=O)c3oc(C)nc3C)[nH]n2c1O 2100556822 IVMSOFITVFEOHZ-UHFFFAOYSA-N 316.321 0.980 0 50 DCAA CO[C@@H]1C[C@H](C(=O)O)CN(C(=O)Cc2nncn2C(C)C)C1 2325796178 XQMLSCWAAUABGS-WDEREUQCSA-N 310.354 0.350 0 50 DCAA CC(=O)Cn1c2ccccc2n2nc(CCC(=O)O)c(=O)nc12 90517 AZYWKIIWRUIEAR-UHFFFAOYSA-N 314.301 0.650 0 50 DCAA NC(=O)C1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 107128 LEXRRCJHMUDEFU-UHFFFAOYSA-N 315.329 0.007 0 50 DCAA O=C1N(CCO)CCC[C@]12CCCN2CCCn1ccnc1 2356153138 TVSYOWHYFAZGLL-INIZCTEOSA-N 306.410 0.723 0 50 DCAA NC(=O)[C@]1(O)CCCN(CC(=O)NCCC2=CCCCC2)C1 225480814 CXLSCFYTHOUJBW-INIZCTEOSA-N 309.410 0.305 0 50 DCAA NC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)CC1 28273714 QWXKQKPDJZSVEK-GFCCVEGCSA-N 319.361 0.352 0 50 DCAA 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Cn1cc(C(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3)c2ccccc21 1857712921 WYCKSQITHBIURE-NEPJUHHUSA-N 313.357 0.765 0 50 DCAA O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)[C@@H]1COCCN1 237906191 MWJDTMOFEJSKCQ-NEPJUHHUSA-N 323.780 0.550 0 50 DCAA C[C@@H]1CN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CCN1 155229844 LZAQCKNHWBQLJV-SNVBAGLBSA-N 316.810 0.934 0 50 DCAA Cn1nc(C2CC2)cc1S(=O)(=O)N[C@@H]1CCNC12CCC2 903509322 IOBVPGPMTUNKIK-GFCCVEGCSA-N 310.423 0.860 0 50 DCAA Cn1cncc1C(=O)NCc1cc(O[C@H]2CCNC2)ccn1 818245354 MZXJRMJIWSAOHB-ZDUSSCGKSA-N 301.350 0.486 0 50 DCAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1cncc(F)c1)C2 952851321 IJUVUWIEWFKYEZ-ABAIWWIYSA-N 307.325 0.445 0 50 DCAA CN(Cc1cnc(-n2cccn2)s1)C(=O)[C@H]1CCC(=O)N1C 1875297381 NQIOAMFMSWZHEE-LLVKDONJSA-N 319.390 0.908 0 50 DCAA COC(=O)c1c(C(=O)N=c2[nH]nc(C3CC3)n2C)n[nH]c1C 1875349581 CLYPLUBCILKIMY-UHFFFAOYSA-N 304.310 0.185 0 50 DCAA O=C1CC[C@](CC(=O)N2CCOCCN2)(C(F)(F)F)CN1 1875318242 LHNOSKRZYAPPTJ-LLVKDONJSA-N 309.288 0.199 0 50 DCAA CC(C)n1ccc(CN2CCN([C@@]3(C(=O)O)CCOC3)CC2)n1 886071991 VHDBIWNCDHUYFC-INIZCTEOSA-N 322.409 0.825 0 50 DCAA C[C@@]1(NC(=O)c2ccnc(O)c2)CCN(C(=O)c2ccon2)C1 956813406 DJJWZVMZUXVKBB-OAHLLOKOSA-N 316.317 0.810 0 50 DCAA C[C@@](NS(=O)(=O)c1c[nH]c(C(=O)O)c1)(C(=O)O)C(F)F 1775998414 CWEPQVIITDATPC-VIFPVBQESA-N 312.250 0.100 0 50 DCAA CC(C)(CO)N1CCN(C(=O)C2(O)Cc3ccccc3C2)CC1 1776002308 ZCGNACGJJWXNQU-UHFFFAOYSA-N 318.417 0.431 0 50 DCAA C[C@@H]1COCCN1Cc1cn(Cc2nc(C(C)(C)C)n[nH]2)nn1 899211923 YYAZBZRQTKVLMW-LLVKDONJSA-N 319.413 0.963 0 50 DCAA Cc1nn(C)c(C)c1CCC(=O)NC[C@H](O)c1cccc(O)n1 2356136943 CLQSHMQZYROXRX-AWEZNQCLSA-N 318.377 0.920 0 50 DCAA CCc1cc(=O)n2nc(N(CC)[C@H]3CCNC3=O)sc2n1 225646414 MMIVAMSLTMSPAN-VIFPVBQESA-N 307.379 0.428 0 50 DCAA COC(=O)c1ncn(C[C@@H](O)c2ccc3c(c2)OCO3)c1CO 409444185 QUYUVJPQTSYWLN-LLVKDONJSA-N 320.301 0.624 0 50 DCAA Cc1nc(CC(C)C)cc(C(=O)N[C@H](C)c2nc(=O)[nH][nH]2)n1 215379755 WLCXYSRHCDXQHJ-MRVPVSSYSA-N 304.354 0.886 0 50 DCAA O=C(O)c1cc(N2C(=O)CCC2=O)ccc1N1CCOCC1 4954481 YIDUXJJKQNMHGX-UHFFFAOYSA-N 304.302 0.875 0 50 DCAA CCN(Cc1nc(CSC)no1)[C@@H]1CCS(=O)(=O)C1 77504121 TZXAIUFAIXJPQS-SECBINFHSA-N 305.425 0.942 0 50 DCAA Cn1nc(C(=O)N[C@H]2CCN(c3ncccc3F)C2)ccc1=O 153660010 VLRKXSPQGIZVPV-JTQLQIEISA-N 317.324 0.323 0 50 DCAA O=C(NCCC(=O)N1CCOC[C@H](CO)C1)c1ccccc1F 77287485 IUNMTMDUMSUBLJ-LBPRGKRZSA-N 324.352 0.413 0 50 DCAA COc1cc(OC)nc(N2CCC[C@@]3(CN(C)C(=O)O3)C2)n1 72433350 FTOHUXAIXGIKFC-CQSZACIVSA-N 308.338 0.915 0 50 DCAA O=C1CSCN1CC(=O)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 331532885 LRRQYUOVOKRTSN-STQMWFEESA-N 324.377 0.993 0 50 DCAA Cc1ccc(N2CCN(Cc3nnc4n3CCOC4)CC2=O)o1 366671072 UNAVAKPFJSZVIP-UHFFFAOYSA-N 317.349 0.559 0 50 DCAA NC(=O)c1cc(N2CCC([C@@H](O)c3ncc[nH]3)CC2)ccn1 375656550 IFMYLMURWOYFTC-CYBMUJFWSA-N 301.350 0.854 0 50 DCAA O=C1CN(Cc2cc3n(n2)CCNC3)CCN1C1CCCC1 72131980 BJMFHSSAQDISKZ-UHFFFAOYSA-N 303.410 0.573 0 50 DCAA C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2)C(=O)N1c1ccccc1 237590459 MXLNWUSGAIZWBY-ZZVYKPCYSA-N 303.362 0.019 0 50 DCAA Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCCNCC2)[nH]n1 237722620 LDUDBMTWTCVZSR-UHFFFAOYSA-N 302.382 0.863 0 50 DCAA Cc1noc(C)c1CCCNC(=O)c1c[nH]c2ncnn2c1=O 220472224 ZJHFYKCBSULKST-UHFFFAOYSA-N 316.321 0.385 0 50 DCAA Cn1cc(N2CC[C@H](Nc3ncnc4c3ncn4C)C2=O)cn1 605148665 OMKZPZJZYAUESN-JTQLQIEISA-N 312.337 0.314 0 50 DCAA COC(=O)c1ccc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)o1 284257440 XJLINFPPXZCHCW-QWRGUYRKSA-N 308.334 0.611 0 50 DCAA CC(C)[C@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)C(=O)O 49546476 KCRRTSPBAVBYCI-HNNXBMFYSA-N 321.377 0.738 0 50 DCAA CO[C@@H]1COCC[C@@H]1CNC(=O)N1C[C@@H](C)C[C@@H](C(=O)O)C1 263307295 HKZHKYNUPKXVIN-UMSGYPCISA-N 314.382 0.790 0 50 DCAA CCn1ncnc1[C@H](C)NC(=O)C1CCN(C(=O)COC)CC1 95511753 OUEKNSIKFCXVQG-NSHDSACASA-N 323.397 0.360 0 50 DCAA COCC(=O)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2 92027955 JNFDWCGDNCHNAJ-QWHCGFSZSA-N 303.362 0.791 0 50 DCAA COCC(=O)N1CCC[C@@H](C(=O)N(C)CCc2noc(C)n2)C1 95379148 LGKDAGIFTIMYTH-GFCCVEGCSA-N 324.381 0.264 0 50 DCAA Cc1c(C(=O)N(C)[C@H]2CCNC2)cccc1N1CCNC1=O 179053014 BHLWIGPJHUQEAX-LBPRGKRZSA-N 302.378 0.959 0 50 DCAA N[C@H]1CN(C(=O)c2c[nH]nc2-c2cccc(F)c2)C[C@@H]1CCO 91694227 YMFBZFOLHGUQTN-FZMZJTMJSA-N 318.352 0.998 0 50 DCAA O=C(Cn1cnnn1)N1CC[C@H](Cc2cccc(CO)c2)C1 95376357 JTPBMPDXYJOJAZ-CYBMUJFWSA-N 301.350 0.257 0 50 DCAA COc1cncc([C@@H](NC(=O)Cn2ccnc2)[C@H]2C[C@@H](O)C2)c1 244708119 KNSZFDOJURKXLH-GHJWDPDVSA-N 316.361 0.915 0 50 DCAA CCC1=NO[C@@H](CN2CCN(c3ccnc4nncn34)CC2)C1 252483991 FLSHNNJJYJCDFT-CYBMUJFWSA-N 315.381 0.801 0 50 DCAA CCCc1nc(CN2CCC[C@@H](n3cnc(C(N)=O)n3)C2)no1 299749557 KRYYDUHYFRLXNJ-SNVBAGLBSA-N 319.369 0.550 0 50 DCAA CCc1ncc(S(=O)(=O)N[C@H]2COC[C@@H]2N2CCCC2)[nH]1 534581269 VGQVJIPUVYDCTP-QWRGUYRKSA-N 314.411 0.114 0 50 DCAA O=C(N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1ccc2ncsc2c1 1940196899 CLPCOWGLCMPURB-XKAARJIMSA-N 306.343 0.553 0 50 DCAA CO[C@@]12CC[C@@H](O)C[C@@H]1N(C(=O)CCc1cc(O)no1)CC2 299776849 MLZXSUVLLFUOCI-IFUGULHKSA-N 310.350 0.844 0 50 DCAA O=C1CN(C(=O)[C@H]2CCOC2)CCN1CCc1ccccc1 584888741 XKVYMHHEJLLEQC-HNNXBMFYSA-N 302.374 0.936 0 50 DCAA CCCn1cnnc1CNC(=O)C[C@@H]1CN(C(C)C)CCO1 823031349 WDVBTHDMXAJAQG-CYBMUJFWSA-N 309.414 0.804 0 50 DCAA CC(C)N1CCO[C@@H](CC(=O)N2CCC3(CCC(=O)N3)CC2)C1 670458646 YEGLFGCBCLBLSE-AWEZNQCLSA-N 323.437 0.757 0 50 DCAA NC(=O)COc1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)O)cc1 408513518 MQIRSUZOQONHAR-LJLILKBBSA-N 318.329 0.640 0 50 DCAA CN(CC(N)=O)C[C@@H]1CN(Cc2ccc3c(c2)CCC3)CCO1 275856510 XENMNHGBQMUGIW-QGZVFWFLSA-N 317.433 0.793 0 50 DCAA Cc1csc(=O)n1CCC(=O)N1CC(=O)N(CC2CC2)C1 279378701 HGSLMCHDHGMIGJ-UHFFFAOYSA-N 309.391 0.647 0 50 DCAA Cc1nn(C)cc1CC(=O)N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1 640866210 KGBKIZNXOPVBDC-ZNMIVQPWSA-N 306.410 0.375 0 50 DCAA COC(=O)C[C@H](NC(C)=O)C(=O)N1CCC[C@H]1C(F)(F)F 585127981 OGQKKKUVDHHNDO-IUCAKERBSA-N 310.272 0.608 0 50 DCAA O=C(Cn1cccnc1=O)N[C@H]1COC[C@@H]1Cc1ccncc1 1615735901 BWUSYKOZECGHTJ-KBPBESRZSA-N 314.345 0.012 0 50 DCAA Nc1nc(NC[C@H]2CC(=O)N(C3CCCC3)C2)cc2nncn12 1529152239 QLPQUODLICZNFP-SNVBAGLBSA-N 315.381 0.910 0 50 DCAA COc1nc2c(cc1C(=O)N1CCC([C@@H](O)CO)CC1)CCC2 1772711969 ZCBMMJARWWGVNT-HNNXBMFYSA-N 320.389 0.784 0 50 DCAA CCCCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCO 13759119 ZRBLVQXKDGBXAG-UHFFFAOYSA-N 309.370 0.408 0 50 DCAA Cc1cc(CC(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)cc(C)n1 1857741228 JQHNYICFTLLEBF-PBHICJAKSA-N 315.373 0.801 0 50 DCAA O=C(N[C@H]1CO[C@@H]2[C@@H](O)CO[C@H]12)c1cccnc1C(F)(F)F 1875240076 HOBOFCIILQSNJN-AXTSPUMRSA-N 318.251 0.357 0 50 DCAA O[C@@H]1C[C@H](c2ccc(F)cc2)N(c2ccc3nnnn3n2)C1 225513704 JBCNVBOMLKTLKB-VXGBXAGGSA-N 300.297 0.971 0 50 DCAA O=C(O)C[C@H]1COCCN1C(=O)[C@H]1COc2ccccc2C1 262040281 BUUXNPJGJSSEAQ-OLZOCXBDSA-N 305.330 0.940 0 50 DCAA NCCN(Cc1ccccc1)S(=O)(=O)NCC(F)(F)F 125907405 LHVZROWKTLVANI-UHFFFAOYSA-N 311.329 0.844 0 50 DCAA CC(=O)N1C[C@H]2CN(C(=O)Cc3ccccc3CO)C[C@H]2C1 908371004 YKYISQLZKKNORK-IYBDPMFKSA-N 302.374 0.658 0 50 DCAA CC1(C)C(=O)N[C@H]1C1CCN(CC(=O)Nc2cccnn2)CC1 930584730 JDGMUUSIESJTQE-AWEZNQCLSA-N 317.393 0.652 0 50 DCAA COc1cccc(CN(C)S(=O)(=O)[C@H]2COC[C@H]2OC)c1 1875362553 JSTOTDRWJAVOHD-KGLIPLIRSA-N 315.391 0.871 0 50 DCAA NC(=O)C12CC(CN1C(=O)c1ccc(Br)cn1)C2 888100822 YDAWWUAPUXRFOC-UHFFFAOYSA-N 310.151 0.934 0 50 DCAA CCC1(C(=O)Nc2nn(C)c(=O)n2-c2ccccc2)COC1 1775998908 MBUUAFGQBOIKBH-UHFFFAOYSA-N 302.334 0.936 0 50 DCAA CN1CCOC[C@]1(CO)CNC(=O)CCc1cccc(O)c1 1775994062 RHPADGVAFZSIHA-MRXNPFEDSA-N 308.378 0.134 0 50 DCAA CCc1nc(O)ccc1C(=O)N[C@@H](CC(=O)OC)C(=O)OC 2100482353 SRLYRBYPUNZSOP-JTQLQIEISA-N 310.306 0.184 0 50 DCAA Cc1cnc2nc(C(=O)N3CCOc4cc(CN)ccc43)nn2c1 2325775070 XGZRVKBTVNXIII-UHFFFAOYSA-N 324.344 0.931 0 50 DCAA CC(=O)N1CCCC[C@@H](NC(=O)c2cccc(C(N)=O)c2)C1 943357042 NIWGHJVYXHFVSV-CQSZACIVSA-N 303.362 0.916 0 50 DCAA Nc1c(S(=O)(=O)O)cc(S(=O)(=O)O)c2cccc(O)c12 1566610 ZFRBZRZEKIOGQI-UHFFFAOYSA-N 319.316 0.621 0 50 DCAA Cc1cnc(N=c2[nH]nc(CC(=O)N(C)C)s2)nc1N(C)C 2356149944 YPIRIBHJTCOYIM-UHFFFAOYSA-N 321.410 0.499 0 50 DCAA Cn1nnc([C@H]2CN(c3ncnc4ccsc34)CCO2)n1 2356160256 KHFBFNUVAQQNOX-SECBINFHSA-N 303.351 0.793 0 50 DCAA CN1CCN([C@H](CC(=O)Nc2cccc(O)c2)C(=O)O)CC1 20363115 UEGUKWRVKLSGJN-CYBMUJFWSA-N 307.350 0.421 0 50 DCAA COc1ccccc1Oc1ncccc1CNC(=O)C(N)=O 67677813 MJTAEOAKMZMCQW-UHFFFAOYSA-N 301.302 0.984 0 50 DCAA COc1cc(NC(=O)CSCC(=O)O)cc(-n2cnnn2)c1 2760523 OLVZGZCSVOBMJB-UHFFFAOYSA-N 323.334 0.427 0 50 DCAA Cc1cccc(CN2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)c1 72408722 OAXAYNVAMYNBNB-CQSZACIVSA-N 302.378 0.321 0 50 DCAA O=C([C@@H]1CCCCN1C(=O)[C@H]1CCC(O)=N1)N1CCOCC1 329090224 IYCBGWJLGGTIEP-NEPJUHHUSA-N 309.366 0.345 0 50 DCAA Cc1noc2ncc(S(=O)(=O)NCC(F)(F)CO)cc12 330999136 ZEOQBJRWORYSIP-UHFFFAOYSA-N 307.278 0.437 0 50 DCAA COc1ccnc(N2CCN(C(=O)Cc3cnn(C)c3)CC2)c1 171564651 LTGQCDORZOGPHQ-UHFFFAOYSA-N 315.377 0.715 0 50 DCAA c1cnc(N2CCN(Cc3cc4n(n3)CCCNC4)CC2)cn1 72138680 UDFLRDZTRMHDPH-UHFFFAOYSA-N 313.409 0.489 0 50 DCAA O[C@@]1(CN2CCC(CCn3cccn3)CC2)CNCCOC1 77375900 SQADHCZCRFJWGL-MRXNPFEDSA-N 308.426 0.336 0 50 DCAA 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301.350 0.125 0 50 DCAA Cc1cc(C)c(-c2nc(CC(N)=O)nn2-c2cnn(C)c2)cn1 1857674146 UADBLKDCDIBUSJ-UHFFFAOYSA-N 311.349 0.707 0 50 DCAA CNC(=O)Cc1nc(-c2cccc3nn[nH]c23)n(CCOC)n1 1857674750 WUQAMQMFKHFVQO-UHFFFAOYSA-N 315.337 0.151 0 50 DCAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)CCCc1cn[nH]c1)C2 1857737143 ZATDZGOKAXRFHZ-OLZOCXBDSA-N 306.366 0.048 0 50 DCAA C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1)c1ccc(N2CCCC2=O)cc1 237534835 VKAHEDJHKIROQC-NILFDRSVSA-N 317.389 0.713 0 50 DCAA O=C(O)[C@H]1CN(C(=O)c2ccccc2Cn2cncn2)CCO1 262053241 FVOWGMWPMXYGIH-CYBMUJFWSA-N 316.317 0.252 0 50 DCAA O=C(N[C@H]1CCN(c2ccccc2F)C1)[C@H](O)c1cnc[nH]1 868531547 ZIDZWJZWFYYOFT-IINYFYTJSA-N 304.325 0.977 0 50 DCAA COc1ccnc(NC(=O)[C@H]2CC(=O)N(C3CN(C)C3)C2)c1 952888640 URLAZRVYVXYZDC-JTQLQIEISA-N 304.350 0.191 0 50 DCAA Cc1nc(O)cc(C(=O)NC[C@H]2CCCN(C(=O)C3CC3)C2)n1 1875332107 LXAATIQYTSVQIX-LLVKDONJSA-N 318.377 0.869 0 50 DCAA CCn1nc(C)c(CN[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)n1 1875400411 YYFDNJWPBOLERO-UMVBOHGHSA-N 304.398 0.732 0 50 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Cn1c(O)ncc(C(=O)N2CCC[C@H](CCC(=O)O)C2)c1=O 262140713 AFSKQGSVLBBNTH-SECBINFHSA-N 309.322 0.203 0 50 DCAA CS(=O)(=O)CCN1CCC[C@]2(CCc3cnc(N)nc32)C1 1704302263 GLOAJKYMBPILDG-AWEZNQCLSA-N 310.423 0.383 0 50 DCAA CCN=c1[nH]nc(C(=O)N2CC[C@H](Oc3ccc(C)cn3)C2)o1 1875281900 DGZBPUCYHWIENY-NSHDSACASA-N 317.349 0.920 0 50 DCAA N[C@H]1CC[C@@H]1NS(=O)(=O)c1cnn(Cc2ccccc2)c1 2325757787 FVRUSDRUSUCYJY-KBPBESRZSA-N 306.391 0.699 0 50 DCAA Cc1cccc(CNC(=O)C(=O)N2[C@H]3CC[C@H]2C(=O)NC3)c1C 2325789045 AKGKIURLWKZLIU-KBPBESRZSA-N 315.373 0.409 0 50 DCAA O=C(c1n[nH]cc1Cl)N1CC(N2CCC(CCO)CC2)C1 2325811009 XCSGYUSOPXONJV-UHFFFAOYSA-N 312.801 0.982 0 50 DCAA Cc1nc2ccnn2c(N2CC[C@H]3OCC(=O)N[C@H]3C2)c1C 2356156825 SOMSOHXZTYNOAZ-NWDGAFQWSA-N 301.350 0.440 0 50 DCAA Cn1cnc2nc(N3CCC[C@]4(CC3)CNC(=O)O4)ncc21 2356169254 NSMCXTJMYYFFGK-AWEZNQCLSA-N 302.338 0.832 0 50 DCAA C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 248742756 AJFKLRABVXKMAV-KKOKHZNYSA-N 304.412 0.340 0 50 DCAA C[C@H](C(=O)Nc1cccc2ncccc12)N1C[C@@H](O)C[C@@H]1CO 249296816 MVEDNHIRKIZWLY-UPJWGTAASA-N 315.373 0.989 0 50 DCAA COc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1F 20568014 XEORFKOPWIBWEL-UHFFFAOYSA-N 318.370 0.445 0 50 DCAA O[C@@H]1[C@H](O)[C@@H](Oc2ccc(Br)cc2)OC[C@H]1O 484961 RYMCGIWYPIFYRA-VPOLOUISSA-N 305.124 0.267 0 50 DCAA biogenic Cc1n[nH]c([C@H]2CN(C[C@@H](O)COCc3ccco3)CCO2)n1 229302123 LAUULORXDFXSFE-TZMCWYRMSA-N 322.365 0.657 0 50 DCAA CC(C)CC(=O)NCC[C@H]1CN(c2cnn(C)c(=O)c2)CCO1 72168037 KNCXCRCTZMEEMJ-AWEZNQCLSA-N 322.409 0.538 0 50 DCAA Cc1ccc([C@@H](CNC(=O)c2n[nH]nc2C)N2CCOCC2)o1 188492733 XYAHAXXRSSNTMS-GFCCVEGCSA-N 319.365 0.818 0 50 DCAA NC1CCC(NC(=O)c2cnc3nc(O)nc(O)c3c2)CC1 262539082 DPWOMKHPSZHJME-UHFFFAOYSA-N 303.322 0.436 0 50 DCAA Cn1ncc(N2CCO[C@H](CCNC3CCOCC3)C2)cc1=O 77406136 AGSMKIPWNJPJHA-OAHLLOKOSA-N 322.409 0.144 0 50 DCAA Nc1cc(=O)[nH]c(CCN[C@H]2CCOC3(CCOCC3)C2)n1 77320310 IGBHYJKMJBTSJA-NSHDSACASA-N 308.382 0.212 0 50 DCAA O=C(Cn1nccn1)N[C@@H]1COCC[C@@H]1OCc1ccccc1 222605340 MBAYXPFVXFZVBT-CABCVRRESA-N 316.361 0.769 0 50 DCAA CCc1noc(CN2CC[C@]3(CCCN(CCO)C3=O)C2)n1 92098677 QUVGDAANFGKLSV-OAHLLOKOSA-N 308.382 0.439 0 50 DCAA Nc1ncccc1CN1CC[C@@]2(CCCN(CCO)C2=O)C1 92004578 HZUDRAKPLWZGQQ-INIZCTEOSA-N 304.394 0.471 0 50 DCAA CN1CCN(C(=O)CN2CCc3ccccc3C2)C[C@@H](O)C1 97743624 SRHIDPVQSDIGNZ-INIZCTEOSA-N 303.406 0.180 0 50 DCAA Cc1ccccc1[C@H](C(=O)N1CCN(C(N)=O)CC1)N(C)C 95530575 IMBWZFPFFIZIBO-CQSZACIVSA-N 304.394 0.821 0 50 DCAA CN(C(=O)[C@@H]1CNCCO1)[C@@H]1CCN(c2ccccc2F)C1=O 237281337 RJGMXSSXFYCBKW-KGLIPLIRSA-N 321.352 0.378 0 50 DCAA O=C(O)CNS(=O)(=O)c1cccc(NC(=O)C2CC=CC2)c1 621542355 BNKJVUROSSUALB-UHFFFAOYSA-N 324.358 0.954 0 50 DCAA O=C(NC1CC1)[C@H](O)C1CCN(Cc2nc(C3CC3)no2)CC1 299738689 FHIZTOROZUNWOD-CQSZACIVSA-N 320.393 0.799 0 50 DCAA COCCN1C(=O)N[C@@H]2CN(C(=O)c3[nH]ccc3C)CC[C@@H]21 299742384 HNAXBPMVPZKWIY-NEPJUHHUSA-N 306.366 0.578 0 50 DCAA Cc1ccc(CN(C)CC(=O)NCCc2nc(N)n[nH]2)cc1 534584235 NYTBOPZTHSKUJW-UHFFFAOYSA-N 302.382 0.486 0 50 DCAA CNc1cc(C(=O)N2CC[C@H]3[C@H](C2)OCc2cnnn23)ccn1 299760782 XGQFAZZUULGJSS-STQMWFEESA-N 314.349 0.701 0 50 DCAA Cc1ccc(C(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)n1C 299775762 JYLWLXVVSPJTKA-KBPBESRZSA-N 301.350 0.911 0 50 DCAA CC(=O)c1c(C)nn(CCC(=O)NCCc2cnn[nH]2)c1C 584903431 OBKBPCUWJSJGRT-UHFFFAOYSA-N 304.354 0.570 0 50 DCAA C[C@@H]1C(=O)N(C)CN1C(=O)c1cnc(C2CCN(C)CC2)[nH]1 685942411 PNZBYFBALBDTCH-SNVBAGLBSA-N 305.382 0.479 0 50 DCAA C[C@@H](Cn1cncn1)C(=O)NCCOc1cccc(C(=O)O)c1 952988124 MLXHYTHUEYXLFY-NSHDSACASA-N 318.333 0.808 0 50 DCAA Cc1nc(N)nc(C)c1CC(=O)N1CC[C@H]2CC[C@@H](C1)N2C 71278481 HWVOTOZMXGXWFM-OLZOCXBDSA-N 303.410 0.913 0 50 DCAA Cc1cc(NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c(N(C)C)nn1 667480466 NRFHPINDJCQJOU-ZYHUDNBSSA-N 318.381 0.593 0 50 DCAA CC(=O)N1CCN(C(=O)[C@H](C)Oc2cccc(CN)c2)CC1 584833845 SDVGRMWSEFNMLF-LBPRGKRZSA-N 305.378 0.603 0 50 DCAA CC(C)c1nc([C@@H]2CN(C(=O)C3(C(=O)O)CC3)CCO2)no1 779692346 MGFPGAQBLGGGLM-VIFPVBQESA-N 309.322 0.958 0 50 DCAA OC[C@@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O 19911868 MWHKPYATGMFFPI-ZVDSWSACSA-N 306.314 0.019 0 50 DCAA in-vitro O=C([C@H]1CCn2nccc2C1)N1CCN(c2cnccn2)CC1 1857708719 JQWCFCRRJWUISN-ZDUSSCGKSA-N 312.377 0.584 0 50 DCAA CCOCC(=O)N1C[C@H](O)[C@]2(C1)[C@H](c1ccccc1)[C@H]2CO 1857716656 CWHFZPGDYQUJIG-YALNPMBYSA-N 305.374 0.618 0 50 DCAA COc1cccc(C(=O)N2CCN([C@H](C)C(=O)O)CC2)c1OC 321104985 NEVICTRJCJOJPP-LLVKDONJSA-N 322.361 0.935 0 50 DCAA COc1ccc(C(=O)N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)cn1 628257379 KWQDOBZWVQDLJS-CHWSQXEVSA-N 318.333 0.088 0 50 DCAA COc1cccc(F)c1C(=O)N1CCC[C@](O)(CC(N)=O)C1 644003833 WXZNZTLVSFQUFS-HNNXBMFYSA-N 310.325 0.677 0 50 DCAA C[C@@H]1CN(S(=O)(=O)N2CCN3CCC[C@H]3C2)C[C@@H](C)O1 247493725 MEYHITQDBLVGPT-UPJWGTAASA-N 303.428 0.120 0 50 DCAA CCS(=O)(=O)c1ccc(N2CCN([C@@H]3CCNC3)CC2)cc1 262398633 CDCOVRVFVCQWTE-OAHLLOKOSA-N 323.462 0.964 0 50 DCAA CN1CCN(C(=O)N2CCN(C(=O)c3cccn3C)CC2)CC1 585130311 MTEVIBGPMBRNGM-UHFFFAOYSA-N 319.409 0.150 0 50 DCAA C=CC(=O)N(C)CC(=O)N1CCC([C@@H]2NC(=O)C2(C)C)CC1 861839673 AZMCEAAKHGAGOD-AWEZNQCLSA-N 307.394 0.394 0 50 DCAA O=C(N[C@H]1CCCN(C2CCCCC2)C1=O)[C@@H](O)c1cnc[nH]1 867674505 UOCZFYQPLCBPLE-JSGCOSHPSA-N 320.393 0.883 0 50 DCAA CNC(=O)[C@]12CCOC[C@H]1CN(c1nccn3c(C)nnc13)C2 952851155 VYXDSSIXBSFEST-ABAIWWIYSA-N 316.365 0.022 0 50 DCAA NC(=O)[C@@H]1CCO[C@@H]1CC1CCN(C(=O)C2(O)CCC2)CC1 952886236 JPWLBHCRRJVOJE-CHWSQXEVSA-N 310.394 0.421 0 50 DCAA O=C(NCCC(=O)N1C[C@@H]2C[C@H]1CS2)c1ncccc1O 1875294071 LZFANXFGPLBVDP-UWVGGRQHSA-N 307.375 0.623 0 50 DCAA O=C1CCCN1C(=O)Cn1c(Cc2ccc(F)cc2)noc1=O 1875316091 UJZWWNUFRFQWLU-UHFFFAOYSA-N 319.292 0.715 0 50 DCAA Cn1c(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)cc2ccccc21 885303154 KZLRPLVPFOQYCZ-NSHDSACASA-N 321.402 0.929 0 50 DCAA Cc1cc(C(=O)NC[C@]2(c3cnn(C)c3)CCCO2)ncn1 890151692 IQGWOXQZCMHOOE-HNNXBMFYSA-N 301.350 0.954 0 50 DCAA CCc1c(C)nc2ncnn2c1N1CCN(C2COC2)CC1 893074862 UFHKTJUTJNSCIM-UHFFFAOYSA-N 302.382 0.516 0 50 DCAA CN1CCC2(CCCN2C(=O)[C@H]2CCn3nncc3C2)CC1 2325790144 RMCGFQMCZGSZIY-ZDUSSCGKSA-N 303.410 0.927 0 50 DCAA CC1(C)NC(=O)N(C[C@H](O)Cn2nnc3ccccc32)C1=O 1312082 KVJVZBVYFIOVJH-VIFPVBQESA-N 303.322 0.123 0 50 DCAA O=C1NC[C@H]2CN(Cc3cnc(=NCc4ccccc4)[nH]c3)C[C@@H]12 2356139547 RPOAXCDVUGXERA-JKSUJKDBSA-N 323.400 0.688 0 50 DCAA C[C@]1(O)CC2(CCN(C(=O)c3ccc(O)cc3)CC2)OC[C@@H]1O 2356156354 XREYXQDYDGBENY-HOCLYGCPSA-N 321.373 0.899 0 50 DCAA Nc1cc(O)nc2nnc(SCC(=O)Nc3nccs3)n12 8834368 MAHJZDQMIMLWNM-UHFFFAOYSA-N 323.363 0.599 0 50 DCAA O[C@@H](COCc1ccco1)CN1CCC[C@H]1Cn1cncn1 247768821 NAHBSSURSLWONH-UONOGXRCSA-N 306.366 0.913 0 50 DCAA O[C@@H](CN1CCCN(C[C@H]2CCCO2)CC1)Cn1cccn1 247802840 WWBRNCNPONQIDQ-JKSUJKDBSA-N 308.426 0.431 0 50 DCAA CCCC(=O)NCCNc1cc(N2CCOCC2)nc(C)n1 67622931 JHVAKZKCUREHQH-UHFFFAOYSA-N 307.398 0.950 0 50 DCAA CCn1c(CC2CCN(C(=O)[C@H]3CCOC3)CC2)nn(C)c1=O 67878467 UZFWCYPCOBUQHU-ZDUSSCGKSA-N 322.409 0.419 0 50 DCAA CCn1nc(C)c(NC(=O)CN2CCN(C(C)=O)CC2)c1C 65463814 VVEZUFRRJRESMR-UHFFFAOYSA-N 307.398 0.622 0 50 DCAA CN1CC[C@@H](C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)C1 229457711 BGQCNEMKLKBLDL-IAGOWNOFSA-N 317.433 0.816 0 50 DCAA O=C(c1ccc2ccncc2n1)N1CC[C@H](N2CCNCC2)C1 424166936 GZTRROBXLLBUCA-AWEZNQCLSA-N 311.389 0.750 0 50 DCAA COc1ccc(CC(=O)N2CCc3c(ncn(C)c3=O)C2)cc1 328632448 RVYILMGXNHXCPB-UHFFFAOYSA-N 313.357 0.916 0 50 DCAA COCCNC(=O)[C@H]1C(=O)[C@H](C)N(Cc2ccccc2)C1=O 122139017 RSEIZSBDNUUUJJ-WCQYABFASA-N 304.346 0.365 0 50 DCAA CCn1nccc1S(=O)(=O)N1C[C@H](CO)Oc2ccccc21 364239887 CEVCYSSYFUOGFV-LLVKDONJSA-N 323.374 0.852 0 50 DCAA NC(=O)c1ccc(N2CCC[C@@H](C(=O)N3CCOCC3)C2)nc1 32565256 ZWFMSRAHTXVRSF-CYBMUJFWSA-N 318.377 0.256 0 50 DCAA CC(C)(CNC(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1)c1cccs1 333070975 AGCYLWOLGIOQSS-AOOOYVTPSA-N 321.402 0.940 0 50 DCAA CCOC(=O)CC1(S(=O)(=O)N2CCN3CCC[C@@H]3C2)CC1 242164681 WWYVNSXWYVUIEP-GFCCVEGCSA-N 316.423 0.582 0 50 DCAA Cc1ccnc(N2C[C@@H](COCC(=O)N(C)C)OC(C)(C)C2)n1 285122522 ROGPTLOWJPRFDW-ZDUSSCGKSA-N 322.409 0.874 0 50 DCAA 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CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)CCCOc1ccccc1 67587275 UEBMGLRZPIRCFU-JSGCOSHPSA-N 305.378 0.520 0 50 DCAA O=C([C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O 251291161 NQZHUYMGKCMZDB-AAVRWANBSA-N 315.435 0.963 0 50 DCAA Cc1cncnc1C1CCN(C(=O)CN2CCC[C@H](O)C2)CC1 216166080 ADPXGRCVJUCSEP-HNNXBMFYSA-N 318.421 0.948 0 50 DCAA O=C(NC1CCS(=O)(=O)CC1)c1cccc2c1OCCO2 219869815 FZOPVNUCULPEJY-UHFFFAOYSA-N 311.359 0.765 0 50 DCAA O=C(c1[nH]nc2c1CCCC2)N1CCO[C@]2(CNCCOC2)C1 72129490 HJVMOCKEZYNALA-MRXNPFEDSA-N 320.393 0.120 0 50 DCAA O=C(C1CC1)[C@H]1CN(S(=O)(=O)c2cncc(F)c2)CCO1 329301812 WAGTWXVZUGGWQS-GFCCVEGCSA-N 314.338 0.589 0 50 DCAA CCN1CCN(C2CCN(C(=O)[C@H]3CSCN3)CC2)C1=O 366358000 XYZRDQVLNQFDOB-GFCCVEGCSA-N 312.439 0.397 0 50 DCAA CN(C)c1cccc(C(=O)N2CCN(Cc3ncn[nH]3)CC2)c1 215955455 ZAXYOIOFUYORLG-UHFFFAOYSA-N 314.393 0.829 0 50 DCAA CN(C)C[C@]1(O)CCN(CCCOc2ccc(C(N)=O)cc2)C1 72174068 SOEHSPLFROKIGR-QGZVFWFLSA-N 321.421 0.553 0 50 DCAA O=C(O)[C@H]1CCCN1C(=O)CN1C(=O)COc2ccccc21 262165030 UDUIEVRLWMAZJF-LLVKDONJSA-N 304.302 0.488 0 50 DCAA COc1ccccc1OCc1cc(C(=O)N2CC(O)C2)n[nH]1 71749800 HZSYPALQRXXGTN-UHFFFAOYSA-N 303.318 0.814 0 50 DCAA COC(=O)c1ccc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)o1 284257439 XJLINFPPXZCHCW-MNOVXSKESA-N 308.334 0.611 0 50 DCAA NC(=O)[C@]1(O)CCCN(c2nc3ccccc3cc2CO)C1 284574858 IYFOXFLMAJQTFK-INIZCTEOSA-N 301.346 0.544 0 50 DCAA COc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCCN(C)C)ccn1 223722396 REMDYVMBVAXGAG-ZIAGYGMSSA-N 323.393 0.556 0 50 DCAA Cc1ncsc1CCC(=O)N1CCN(S(C)(=O)=O)CC1 82107029 REWSPRRMAJFCNV-UHFFFAOYSA-N 317.436 0.488 0 50 DCAA COC[C@@H]1[C@@H](NS(=O)(=O)c2c(C)noc2C)[C@@H]2CCO[C@@H]21 222564389 ZIFUZFSIMAKRKU-USZNOCQGSA-N 316.379 0.620 0 50 DCAA O=C1NC(=O)[C@@H](CCC(=O)N2CCC(c3ccncc3)CC2)N1 92078891 WCVYSHCICQSHJB-CYBMUJFWSA-N 316.361 0.776 0 50 DCAA COc1cccc(OC2CN(C(=O)Cn3cccnc3=O)C2)c1 91713809 HHFLEFGYIYIXMZ-UHFFFAOYSA-N 315.329 0.542 0 50 DCAA Cc1nc(C)n(C[C@@H](C)C(=O)N(C)CC2(CO)CCOCC2)n1 91664799 NHHDZMSNSYPFKW-GFCCVEGCSA-N 324.425 0.779 0 50 DCAA Cc1[nH]c(=O)c(C(=O)N2CCS(=O)(=O)CC2)c(C)c1Cl 97757925 XITLPJYINACDRF-UHFFFAOYSA-N 318.782 0.516 0 50 DCAA CC[C@@H](C)[C@@H](CO)NC(=O)CCc1c(C)nc2ncnn2c1O 252538768 NHOTUDZRAPVMNX-BXKDBHETSA-N 321.381 0.594 0 50 DCAA COc1cc(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)on1 184799519 UIUCOYREBHVKRY-LLVKDONJSA-N 309.366 0.914 0 50 DCAA NC(=O)[C@@H]1CCCN1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 534631896 UTXKHPPYHSHYQV-GJZGRUSLSA-N 316.405 0.920 0 50 DCAA COCCOc1cccc(NC(=O)N[C@@H]2C[C@@H](CO)N(C)C2)c1 299764316 ZLVLIQJQHFALND-KGLIPLIRSA-N 323.393 0.898 0 50 DCAA CCn1cnnc1[C@H](C)NC(=O)c1ccc(-n2cnnc2)nc1 823592498 MHPAPWUVYIBNRT-JTQLQIEISA-N 312.337 0.765 0 50 DCAA CN1C(=O)[C@@H]2CN(CC(=O)NCC3CCCCC3)C[C@@H]2C1=O 670449523 UZBFFRTVMCNMRQ-BETUJISGSA-N 307.394 0.230 0 50 DCAA Cc1nccn1CCCN1C[C@@H](CC(=O)O)[C@@H](c2cnn[nH]2)C1 1076034115 ULHHVDDSXRMWJS-OLZOCXBDSA-N 318.381 0.890 0 50 DCAA O=C(NCCN1C(=O)CCCC1=O)c1ccc(C(=O)O)nc1 405370058 YGVVSAJFNMRMOM-UHFFFAOYSA-N 305.290 0.049 0 50 DCAA CS(=O)(=O)N[C@H]1CCC[C@H]1CNc1ncnc(N)c1Cl 277893260 TUVWVWXHSHMOOJ-YUMQZZPRSA-N 319.818 0.842 0 50 DCAA Cc1cnccc1CCNC(=O)CN1CCCC[C@@H](O)C1=O 644405629 OFGCSMXMTBTVBZ-CQSZACIVSA-N 305.378 0.422 0 50 DCAA CO[C@H]1C[C@@H](C(N)=O)N(c2ncccc2Br)C1 583159381 VGBJDRFAACFCSS-CBAPKCEASA-N 300.156 0.923 0 50 DCAA C/C(=C\C(=O)NS(=O)(=O)C[C@@H]1CCOC1)c1ccncc1 584908280 TWFQVBMMAISEAZ-JATZPVMKSA-N 310.375 0.967 0 50 DCAA COc1cccc2c1CC[C@@]2(N)C(=O)N1CCNC(=O)CC1 1650432283 YDWAUHKMEBLMLE-INIZCTEOSA-N 303.362 0.144 0 50 DCAA Cc1cc(C[C@@H]2CN(C(=O)c3cnc(N)s3)C[C@H]2O)on1 1704328696 NFRIBFXKYYSKAI-PSASIEDQSA-N 308.363 0.697 0 50 DCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)Cc1ccc3c(c1)OCO3)C2 1704309289 MVPFEWQILDWFOK-KBPBESRZSA-N 318.373 0.747 0 50 DCAA Cc1cccn2c(CC(=O)N3CCOC[C@@H](C(=O)O)C3)cnc12 1775978070 AWMRZBBIIJFSEW-LBPRGKRZSA-N 317.345 0.745 0 50 DCAA O=C(Cn1ccnc1)N[C@H]1CC(=O)N(C2Cc3ccccc3C2)C1 12305397 YESWRNPQBRLJNP-HNNXBMFYSA-N 324.384 0.768 0 50 DCAA CCC[C@]1(CO)CCN(C(=O)CCc2cnccn2)C[C@H]1O 1857721972 AJUGPNWKIMMQAW-GDBMZVCRSA-N 307.394 0.781 0 50 DCAA Cn1ccnc1[C@H](O)C1CCN(c2nc(C(=O)O)nn2C)CC1 1857730069 IYVNFBXCNMUXHX-SNVBAGLBSA-N 320.353 0.197 0 50 DCAA CN1C[C@H]2COC[C@@H]1CN(c1ccc(S(C)(=O)=O)cn1)C2 1875242492 VRBOURVQUMNQPI-NEPJUHHUSA-N 311.407 0.252 0 50 DCAA C[C@@H]1CN(C(=O)NCc2ncc3c(n2)CCOC3)C[C@H]1N(C)C 651206917 BMCXDKURICNCRM-BXUZGUMPSA-N 319.409 0.641 0 50 DCAA O[C@H](CN1CCN(c2ccc(F)cn2)CC1)Cn1cccn1 378463418 QLEMXVUDEAJSGK-CQSZACIVSA-N 305.357 0.600 0 50 DCAA Cn1cc(C(=O)N2CCOc3ccccc3[C@@H]2C(=O)O)nn1 911061281 CJIFVSIKGOZPHM-GFCCVEGCSA-N 302.290 0.476 0 50 DCAA O=C(N[C@@H](Cc1ccncc1)C(=O)O)[C@H]1CCc2c[nH]nc2C1 848456843 MUVAYDTUMXQPOM-FZMZJTMJSA-N 314.345 0.722 0 50 DCAA CNC(=O)C(F)(F)C1(O)CCN(c2ncc(C)cn2)CC1 1776006581 XWUDLASGKHWGEP-UHFFFAOYSA-N 300.309 0.498 0 50 DCAA CN(C)S(=O)(=O)CCN1CCC[C@@](O)(C(F)(F)F)C1 407950243 JECXEQDPRBLQIP-VIFPVBQESA-N 304.334 0.267 0 50 DCAA CNC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2C)C1 420732651 LJWNLJBOSWYBSF-JTQLQIEISA-N 300.355 0.891 0 50 DCAA Cc1cc(C[C@@H]2CN(Cc3ccn4ncnc4c3)C[C@H]2O)n[nH]1 2356134595 UCNQCHKATYHPLB-UKRRQHHQSA-N 312.377 0.796 0 50 DCAA CCN1Cc2nnc(Cn3cncn3)n2[C@@H](CC(C)C)C1=O 2356159610 JDISNBMZNOJNKL-NSHDSACASA-N 303.370 0.867 0 50 DCAA CCC[C@@]1(C(=O)O)CN(c2nc(C)cc(=NC)[nH]2)CC[C@@H]1O 2356161442 WEMLFWOGIMWYNB-XHDPSFHLSA-N 308.382 0.691 0 50 DCAA C[C@H]1CN(C[C@H](O)Cn2nnc(-c3ccsc3)n2)C[C@@H](C)O1 225708926 LRRBZAOOCIKYLI-LOWVWBTDSA-N 323.422 0.872 0 50 DCAA O=C(Cn1cccn1)N1CCN(Cc2ccccc2CO)CC1 20859818 XXWHBQQVTFPEEA-UHFFFAOYSA-N 314.389 0.720 0 50 DCAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccc(OC)c(COC)c1 67515375 KMDMUDXHBYAROR-OLZOCXBDSA-N 321.377 0.129 0 50 DCAA Cc1ccc(COC[C@H](O)CN2CCN(CCO)CC2)cc1 23114602 USDSKQBCDYCXJP-QGZVFWFLSA-N 308.422 0.482 0 50 DCAA CN(Cc1cccnc1)C(=O)c1cn(C[C@@H]2CCCNC2)nn1 65463744 FFXSXTAYAINMNO-CQSZACIVSA-N 314.393 0.945 0 50 DCAA CC(C)N1CCC[C@@H](C(=O)NCCS(=O)(=O)N(C)C)C1 67743827 BOUISWBSIBHUFI-GFCCVEGCSA-N 305.444 0.114 0 50 DCAA COC(=O)CN1CCC(Nc2ncc(C)c(N(C)C)n2)CC1 65435227 KBCWVDURVWONET-UHFFFAOYSA-N 307.398 0.900 0 50 DCAA Cc1cc(C(F)(F)F)nc(CNC[C@@]2(O)CNCCOC2)n1 77472528 KUSRYZJEXRNDNM-LBPRGKRZSA-N 320.315 0.244 0 50 DCAA O=C(C[C@@H]1COCCN1)NCCc1noc(-c2ccccc2)n1 72163532 HVZYZTRZUSOSFU-CYBMUJFWSA-N 316.361 0.774 0 50 DCAA Cc1nccc(C2CCN(C(=O)CN3C(=O)CNC3=O)CC2)n1 215731470 KHAFLBBKKPPWRW-UHFFFAOYSA-N 317.349 0.043 0 50 DCAA C[C@@H](CNC(=O)N1[C@H]2CC[C@H]1[C@@H](CO)C2)CN1CCOCC1 332912738 QSFMQZNBYUVAOK-XGUBFFRZSA-N 311.426 0.510 0 50 DCAA O=S(=O)(c1ccc(F)cc1F)N1CCN2CCOC[C@H]2C1 375214473 HRRFVIMCXJEHJB-LLVKDONJSA-N 318.345 0.670 0 50 DCAA Cc1ccc(-c2nnc(CN3CC[C@H](CO)[C@@H](O)C3)o2)n1C 72144905 GKQORPNMYVZRIL-YPMHNXCESA-N 306.366 0.559 0 50 DCAA OCc1cc2ccccc2nc1N1CC[C@@](O)(c2c[nH]nn2)C1 284717272 ZYTXAMXKKPHEES-INIZCTEOSA-N 311.345 0.943 0 50 DCAA CCc1cc(O)nc(CN2CCN(C)[C@@H](c3nc(C)no3)C2)n1 284966843 RQQOALOIMHDIAB-GFCCVEGCSA-N 318.381 0.925 0 50 DCAA COC(=O)c1nn(CC(=O)Nc2cnn(C)n2)c2ccccc12 48159220 KEZMBDNEUNPUQA-UHFFFAOYSA-N 314.305 0.590 0 50 DCAA O=C(O)CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(CO)cc1 223918683 KRBMVNDDRGULBZ-CHWSQXEVSA-N 309.318 0.167 0 50 DCAA CCn1ncc(C(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)n1 294547605 DJXYFVOYFMDXHB-JTQLQIEISA-N 317.324 0.972 0 50 DCAA Cc1nc(C)n(CCCNC(=O)[C@@H](C)CN2CCOCC2)n1 244874857 XIJSGVHIMRPWIX-LBPRGKRZSA-N 309.414 0.370 0 50 DCAA COc1ccc([C@@H](NC(=O)Cn2cccn2)[C@H]2C[C@@H](O)C2)cn1 244748476 OIGDFEQTBCBWKE-DVOMOZLQSA-N 316.361 0.915 0 50 DCAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2ccncc2)c1O 253623800 MGTFNGFFDVJTPJ-SECBINFHSA-N 317.301 0.682 0 50 DCAA biogenic CN(C)CCN(CC(=O)O)C(=O)Cc1ccc2c(c1)OCO2 299751287 QEFOOMSSNAUCSM-UHFFFAOYSA-N 308.334 0.433 0 50 DCAA COc1ccnc(N2CCN(Cc3cnc(N)s3)CC2)n1 261985231 JPKYACDZLHJOGZ-UHFFFAOYSA-N 306.395 0.846 0 50 DCAA Cc1[nH]nc(CCC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)c1C 299787327 UOVRJIGHQPQWRN-LLVKDONJSA-N 314.411 0.096 0 50 DCAA CN(C)C(=O)NCC(=O)N1CCC[C@@H](CN2CCCC2=O)C1 584896933 BIXXTTANGSDNBL-LBPRGKRZSA-N 310.398 0.119 0 50 DCAA Cc1cc(F)c(S(=O)(=O)NC(=O)[C@H]2COCCO2)cc1F 408476504 ANYJRCOACXPLFX-SNVBAGLBSA-N 321.301 0.494 0 50 DCAA Cc1ccc(S(=O)(=O)NC(=O)[C@H]2COCCO2)cc1Cl 408479478 MCHHOQNLLOBFTL-LLVKDONJSA-N 319.766 0.869 0 50 DCAA C[C@H](N)[C@@H]1COCC[C@@H]1NCc1ccc2oc(=O)n(C)c2c1 629550362 XUHAYGDALQJZGW-DRZSPHRISA-N 305.378 0.973 0 50 DCAA C[C@@H]1C(=O)NCCCN1C(=O)NCc1c(C2CC2)cnn1C 661805391 HRZBYMVGIKJILA-SNVBAGLBSA-N 305.382 0.718 0 50 DCAA CCO[C@H]1C[C@](NC(=O)CNC(=O)CC)(C(=O)OC)C1(C)C 170602650 CCPMSFMNVVONCH-BONVTDFDSA-N 314.382 0.376 0 50 DCAA NC(=O)C[C@]1(O)CCCN(Cc2cccc3c2OCCO3)C1 643745267 AMAWLXHDYCHIJS-MRXNPFEDSA-N 306.362 0.660 0 50 DCAA COCC(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1 585088266 RXQWIANGBJEQIJ-UHFFFAOYSA-N 302.371 0.511 0 50 DCAA COc1cccc(CNC(=O)CNC2(C(N)=O)CCCC2)c1 746475901 VJXNUXKYKHUKGG-UHFFFAOYSA-N 305.378 0.699 0 50 DCAA COC[C@H]1CCCN(S(=O)(=O)NCCc2ccncc2)C1 1506406939 KPBRLJLMZQHAPZ-AWEZNQCLSA-N 313.423 0.817 0 50 DCAA CC[C@H]1OC2(CCN(c3cc(N(C)C)ncn3)CC2)NC1=O 1615588853 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AWZZADCZNPBDTJ-UHFFFAOYSA-N 321.425 0.808 0 50 DCAA O=C(N[C@@H]1CCOC[C@H]1O)c1cc(=O)[nH]c2cc(F)ccc12 222359603 HSLMPYJQEIUNAI-DGCLKSJQSA-N 306.293 0.547 0 50 DCAA CC(=O)NCc1cc2n(n1)CCN(CCc1nccn1C)C2 426412164 GANPDCBOJOIAGX-UHFFFAOYSA-N 302.382 0.311 0 50 DCAA Cc1n[nH]c(C)c1S(=O)(=O)N1CC[C@H](C(=O)O)C(F)(F)C1 289745614 OMVPZSWMJVBLNI-MRVPVSSYSA-N 323.321 0.757 0 50 DCAA CC1(C)CN(C(=O)CC2CCS(=O)(=O)CC2)C[C@]1(C)O 91931236 SJFQANFMHNXEFJ-AWEZNQCLSA-N 303.424 0.821 0 50 DCAA CC(=O)N1CCC2(CC1)CCN(C(=O)c1cnon1)C[C@@H]2CO 97117569 JSJIIEPEADARPW-GFCCVEGCSA-N 322.365 0.153 0 50 DCAA O=C(NCc1c[nH]c(=O)[nH]c1=O)[C@@H]1CCOc2ccccc2C1 95510305 IBYXWJQJQMZTRF-LLVKDONJSA-N 315.329 0.321 0 50 DCAA O=C1CNC(=O)N1CC(=O)N1CCCC[C@H]1c1nccs1 91575114 VZTADOYKWGGLBV-VIFPVBQESA-N 308.363 0.749 0 50 DCAA COCCN1C[C@H]2CC[C@@H]1CN(CC(=O)NCc1ccco1)C2 91830399 ZMTQUDMLERMBSB-LSDHHAIUSA-N 321.421 0.938 0 50 DCAA Cc1cccc(=O)n1CCCNC(=O)C[C@H]1CN(C)CCN1C 244884283 YIYNZMXCDGMAMF-HNNXBMFYSA-N 320.437 0.299 0 50 DCAA COc1nc(C)nc(N2C[C@@H](OC)[C@H](c3cnn[nH]3)C2)c1C 621336949 FJSRZYDHAIASJG-CMPLNLGQSA-N 304.354 0.839 0 50 DCAA CC1(C)NC(=O)N(CC(=O)N[C@@H](C(=O)O)c2ccccc2)C1=O 299745435 ZBIQMSLJFNNZQS-LLVKDONJSA-N 319.317 0.259 0 50 DCAA Cc1nc(CC(=O)N[C@H]2COC[C@@H]2N2CCN(C)CC2)cs1 534640897 ZCFGOTBBJSYSNE-KBPBESRZSA-N 324.450 0.125 0 50 DCAA NS(=O)(=O)C[C@H]1CCN(C(=O)c2n[nH]c3ccccc23)C1 299797237 NCAUSEDOYGGTKK-VIFPVBQESA-N 308.363 0.314 0 50 DCAA Cc1n[nH]c(C)c1CC(=O)N1CCC2(CC1)CN(C)C(=O)CO2 584899945 XLOVZKIUSVHODI-UHFFFAOYSA-N 320.393 0.419 0 50 DCAA CNC(=O)c1noc(CNC(=O)N(C)CCc2ccccn2)n1 584885304 GBMIRMXULRHHIV-UHFFFAOYSA-N 318.337 0.208 0 50 DCAA Cn1nccc1C(=O)N[C@@H]1CCCC[C@@H]1Cc1nnc(O)n1C 685942737 UXYDQLMAESFBMY-GHMZBOCLSA-N 318.381 0.786 0 50 DCAA COCCC1(C(=O)Nc2ccc(-n3nn[nH]c3=O)cc2)CC1 188324817 SIWSSAUZCWPCFZ-UHFFFAOYSA-N 303.322 0.711 0 50 DCAA CO[C@H]1CCN(C(=O)NCc2nc(N(C)C)n[nH]2)CC1(C)C 637789218 MNNBAAAFJKTCRB-JTQLQIEISA-N 310.402 0.827 0 50 DCAA O=c1cc(CN2CCC(c3nnc(O)o3)CC2)[nH]c2ccnn12 1654438351 XOYKQGGYNWOWEJ-UHFFFAOYSA-N 316.321 0.491 0 50 DCAA Cn1cc(Br)c(CN=c2ccn(CCO)[nH]2)n1 1857531759 MFAZOVJYSGUHBM-UHFFFAOYSA-N 300.160 0.405 0 50 DCAA Cc1n[nH]c(C)c1CC(=O)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704338875 IPIDJSVQEMOLGS-IUODEOHRSA-N 315.377 0.421 0 50 DCAA CNC(=O)CN1CC[C@](Cc2ccccc2)(C(=O)O)[C@@H](O)C1 1704312464 CINIAIDTVUVGKD-XJKSGUPXSA-N 306.362 0.113 0 50 DCAA NC(=O)[C@@H]1CCCN(CCCNc2ncnc3cc[nH]c23)C1 1772806267 ANENBWDPOBSBPI-LLVKDONJSA-N 302.382 0.957 0 50 DCAA COc1ccccc1OCC(=O)N1CC[C@]2(CNC(=O)CO2)C1 1772813730 RAHOHYCQRJDPGK-INIZCTEOSA-N 320.345 0.192 0 50 DCAA Cc1ccc2c(c1)c(CNC(=O)[C@H]1C[C@@H](N)[C@H](O)C1)nn2C 1857721831 IDTVWADKAHLDAW-JVLSTEMRSA-N 302.378 0.596 0 50 DCAA CC[C@H]1COCCN1C(=O)[C@H]1C[C@H]1C(=O)N1CCOC[C@H]1CC 932958715 OFLAFHADNPKQII-NMWPEEMBSA-N 324.421 0.897 0 50 DCAA Cn1nccc1[C@H](O)CNC(=O)CN1Cc2ccccc2C1=O 886254346 CRQVNQXMTGIJFO-CQSZACIVSA-N 314.345 0.226 0 50 DCAA Cn1nc(C2CC2)cc1NC(=O)C(=O)NC[C@@]1(CO)CC1(C)C 2325776052 BJVYHVQWHFFXCZ-MRXNPFEDSA-N 320.393 0.761 0 50 DCAA O=C(c1cnn(C2CCNCC2)c1)N1CC[C@@H](c2cnn[nH]2)C1 2325787537 GHNXSRHRBAPZGZ-LLVKDONJSA-N 315.381 0.555 0 50 DCAA Cc1noc(C)c1CCC(=O)N1CCO[C@@H](c2nnnn2C)C1 2356156083 QPTXDQBXBIZDAU-GFCCVEGCSA-N 320.353 0.348 0 50 DCAA C[C@H]1CN(C(=O)[C@H](NC(=O)C(=O)O)c2ccccc2)C[C@@H](C)O1 225608119 XQHPCVVRIXJSNU-NTZNESFSSA-N 320.345 0.564 0 50 DCAA CCC1(O)CN(S(=O)(=O)c2cc(C(=O)O)cc(F)c2C)C1 227251682 RQEXDIOUZSNRNU-UHFFFAOYSA-N 317.338 0.978 0 50 DCAA Cc1ccccc1Cn1cc(C(=O)N(C)C[C@@H](O)CO)nn1 20406283 JDIXUXUJMZETCC-CYBMUJFWSA-N 304.350 0.060 0 50 DCAA CN(Cc1ccnn1C)C(=O)C1CCN(S(C)(=O)=O)CC1 2804077 OEVKQEDPJZXALT-UHFFFAOYSA-N 314.411 0.050 0 50 DCAA Nc1cc(O)nc(CCNC(=O)C2(N3CCCC3)CCCC2)n1 219929056 UEKXRVLGKVIPIH-UHFFFAOYSA-N 319.409 0.832 0 50 DCAA CN(C[C@@H]1CCc2nccn2C1)C(=O)CN1CSCC1=O 328619577 GBHCFGICMOXUEE-NSHDSACASA-N 308.407 0.437 0 50 DCAA O=C(O)[C@H]1CN(C(=O)/C=C/c2ccc3c(c2)OCO3)CCO1 328589224 AADQVPVCIIMNFE-CXLRFSCWSA-N 305.286 0.741 0 50 DCAA Cc1noc([C@@]2(O)CCN(C(=O)CN3CCC(C)CC3)C2)n1 372868979 LXMRRIYFQVAOLR-OAHLLOKOSA-N 308.382 0.530 0 50 DCAA CCc1cc(C(=O)NCCN2CCC[C@@H](CO)C2)cc(=O)[nH]1 216344778 RBTRZEQTTZFYFM-GFCCVEGCSA-N 307.394 0.371 0 50 DCAA Cn1nccc1NC(=O)Cn1nnc(-c2c(F)cccc2F)n1 48130315 HHQYWOAIUYASNV-UHFFFAOYSA-N 319.275 0.991 0 50 DCAA Cc1nc(CNC(=O)N2CCN(CC(C)C)[C@H](CCO)C2)n[nH]1 426434491 QGNSCASLCWDWQM-CYBMUJFWSA-N 324.429 0.347 0 50 DCAA Cc1ccc(C(=O)N[C@H](C)c2nc(N)n[nH]2)cc1OCCN 426510319 PAGBYKKEOXTWJZ-SECBINFHSA-N 304.354 0.524 0 50 DCAA CCS(=O)(=O)[C@@H](C)C(=O)NCCCOc1cccnc1 426701358 FDQXMMJZXNQANN-NSHDSACASA-N 300.380 0.790 0 50 DCAA Cc1ccc(C(=O)N(C)Cc2nncn2C)cc1OCCN 426740399 HCZVJJASHYECJU-UHFFFAOYSA-N 303.366 0.733 0 50 DCAA C[C@H]1CN(S(=O)(=O)N(C)C2CCC(N)CC2)[C@@H](C)CO1 237690952 KWKZDPWIWPGWPK-ZSVAQUKISA-N 305.444 0.542 0 50 DCAA CCOc1ncccc1CNC(=O)CN1CCC(C(N)=O)CC1 91587237 BBVVUKKQHIBMCU-UHFFFAOYSA-N 320.393 0.294 0 50 DCAA Cc1cc(C(=O)N2C[C@H](CO)[C@H](CN(C)CCN(C)C)C2)on1 91444484 HHWYQZHFCBZYBE-ZIAGYGMSSA-N 324.425 0.157 0 50 DCAA COC(=O)C1(CNC(=O)c2cc(CN3CCCC3)on2)CC1 293408401 SKSKDRLOPPDHBC-UHFFFAOYSA-N 307.350 0.953 0 50 DCAA CC(C)[C@@H](NC(=O)CCn1ccc(O)nc1=O)c1nccn1C 253536549 HYQSKDPYHFPHKO-CYBMUJFWSA-N 319.365 0.586 0 50 DCAA NC(=O)c1ncn([C@@H]2CCCN(C(=O)NCc3ccco3)C2)n1 299739281 MTVZVMZLRATJIZ-SNVBAGLBSA-N 318.337 0.517 0 50 DCAA Cc1cc(C(F)(F)F)nn1CC(=O)N1CCCn2nnnc21 297880573 UZZKKQPLEUYXBU-UHFFFAOYSA-N 315.259 0.634 0 50 DCAA Cn1cc(O[C@@H]2CN(C(=O)CCc3ccco3)C[C@H]2O)cn1 628257644 UTWCYTYDZSUMPE-ZIAGYGMSSA-N 305.334 0.596 0 50 DCAA CN1CCN([C@@H]2CCN(C(=O)c3cc(O)ccc3F)C2)CC1 299782651 VYRXOYYKQGTSIM-GFCCVEGCSA-N 307.369 0.993 0 50 DCAA O=C(NCCc1nc(Cc2ccccc2)no1)[C@@H]1C[C@@H](O)CN1 299777198 JZLHEBQKTKDKIE-OLZOCXBDSA-N 316.361 0.042 0 50 DCAA O=C(c1coc(CN2CC[C@H](O)C2)n1)N1CCOC(F)(F)C1 685943953 PMOBXSMCOAVIIJ-VIFPVBQESA-N 317.292 0.306 0 50 DCAA O=C(CN1CCOc2ccccc2C1)NCc1cc(O)ncn1 952868641 FQQRYXPUWZZZKA-UHFFFAOYSA-N 314.345 0.693 0 50 DCAA CCc1nnc(CN2CCC[C@@](O)(C(=O)N3CCCC3)C2)n1C 408045950 ACYVWQNZYWXCLN-INIZCTEOSA-N 321.425 0.327 0 50 DCAA CC1(C(=O)N[C@H]2CCN(C(=O)c3ccccc3)C[C@@H]2O)COC1 1565516927 QVVQPBGVZICKOG-KBPBESRZSA-N 318.373 0.415 0 50 DCAA CCOC(CN(CC)CCC(=O)N1CCN(C)CC1)OCC 408523321 IREUCYUQFKSGLN-UHFFFAOYSA-N 315.458 0.872 0 50 DCAA C[C@H](C(=O)O)N(C)S(=O)(=O)c1cc(C(F)(F)F)nn1C 629300499 GQVIHAWFMKUFNI-RXMQYKEDSA-N 315.273 0.533 0 50 DCAA CCNC(=O)c1ccc(N2CCC[C@@](O)(CC(=O)NC)C2)nc1 643721401 ZKUVWJTTYXWVOZ-MRXNPFEDSA-N 320.393 0.299 0 50 DCAA CN1N=C(C(=O)N(CCC(=O)O)C[C@H]2CCCO2)CCC1=O 737529609 LQOZYKNJJLZDEM-SNVBAGLBSA-N 311.338 0.077 0 50 DCAA Cc1cc(C(=O)N2CCCNC(=O)[C@@H]2C)n2nc(C)cc2n1 1615058544 QCZJGTOHRQGACC-NSHDSACASA-N 301.350 0.697 0 50 DCAA CCOc1cccc(CC(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)n1 1615627371 NNRAQQMYXTZMPG-UKRRQHHQSA-N 321.421 0.936 0 50 DCAA CN(C)C(=O)NCCNS(=O)(=O)C[C@@H]1CC2(CCC2)CO1 1616040716 DAGIGULPTSPUIX-NSHDSACASA-N 319.427 0.136 0 50 DCAA O=C(CCS(=O)(=O)c1ccccc1)N1C[C@@H](O)[C@H](F)C1 952984204 YUGOECDLHNZWJZ-VXGBXAGGSA-N 301.339 0.392 0 50 DCAA Cc1ccc(C(=O)N2C[C@H]3CCN(C)C(=O)[C@H]3C2)c(=O)n1C 1772818461 FPKQQUSRENMHTC-YPMHNXCESA-N 303.362 0.244 0 50 DCAA Cn1c(N2C[C@@H]3CNC[C@]3(CO)C2)nc2cc(C(=O)O)ccc21 1772805872 QZONABADBDLVJU-MEDUHNTESA-N 316.361 0.290 0 50 DCAA O=C(NCCN1CCOCC1)C(=O)Nc1ccccc1Cl 19831570 ACPUEGGBTFEFEZ-UHFFFAOYSA-N 311.769 0.727 0 50 DCAA CCc1nccn1CCC(=O)N1C[C@@H]2OCCC(=O)N(C)[C@H]2C1 1857708448 UXZGTQNJQLQUTC-STQMWFEESA-N 320.393 0.294 0 50 DCAA COc1ccnc(C(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)c1 1857731847 RCMFVPGBOPOFLS-CJNGLKHVSA-N 317.345 0.654 0 50 DCAA O=C([C@H]1C[C@@H]1C1CC1)N1CCN(c2cncc3ncnn23)CC1 328637219 OLYZKFHIQANFNU-OLZOCXBDSA-N 312.377 0.819 0 50 DCAA O=C(C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)N1CCC[C@H]1Cc1ccccc1 646620758 BBDLSSXZCVSTBN-YLFCFFPRSA-N 317.385 0.633 0 50 DCAA CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)N=c2cc[nH]cc2)C1 671429210 MXFVNGSWKPQDGG-NEPJUHHUSA-N 302.338 0.626 0 50 DCAA O=C(COc1ccccc1)N1CC[C@](O)(Cn2ccnn2)C1 671501069 WKNFSJJIWIRVNN-OAHLLOKOSA-N 302.334 0.321 0 50 DCAA COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)oc1C 261735577 SZQBPIKLYMRVIJ-SECBINFHSA-N 317.319 0.612 0 50 DCAA Cc1cc(C)cc(N(C)S(=O)(=O)c2cn(C)c(=O)nc2O)c1 583651274 JZNVDESATYSZEQ-UHFFFAOYSA-N 323.374 0.928 0 50 DCAA Cc1nnc2ccc(C(=O)N[C@H]3CCN(C(C)C)C3=O)cn12 265187307 BSLZEABPJYKYMV-LBPRGKRZSA-N 301.350 0.777 0 50 DCAA Cc1ccc(S(=O)(=O)N2CC[C@H](O)[C@@H](C(=O)O)C2)cc1C 1704302130 DUOPHVIJSPYMDR-STQMWFEESA-N 313.375 0.760 0 50 DCAA CN(C)S(=O)(=O)NCCc1nc2ccc(C(=O)O)cc2[nH]1 809552602 KKLVHWYGUWQJGR-UHFFFAOYSA-N 312.351 0.200 0 50 DCAA O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)[C@@H](O)c1cnc[nH]1 865037558 VXWCVUCNDWDYSF-OCCSQVGLSA-N 314.345 0.360 0 50 DCAA O=C(c1ccc(O)c(F)c1F)N1C[C@@H](CCO)[C@@H](CO)C1 1875319346 YRFPLDQRHOTGKG-RKDXNWHRSA-N 301.289 0.733 0 50 DCAA Cn1cnc2c(C(=O)N3CCC[C@@H]3c3nccc(=N)[nH]3)ncnc21 1875344027 CATVWMSCNRLNPU-SECBINFHSA-N 324.348 0.543 0 50 DCAA COCCn1cc(CN[C@@H]2C[C@@H](Cn3cccn3)C[C@H]2O)cn1 1875400057 PZSMNTBNVPDTOY-FVQBIDKESA-N 319.409 0.655 0 50 DCAA Cn1cnc2nc(=NCc3ccc(S(N)(=O)=O)cc3)[nH]cc21 2100539543 NKXYLFFRLSYNIR-UHFFFAOYSA-N 318.362 0.045 0 50 DCAA O=C(CCn1cnnn1)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356144024 GWPSWDBLTPOJPZ-AWEZNQCLSA-N 301.354 0.293 0 50 DCAA CCN(Cc1noc(C2CCC2)n1)C(=O)[C@@H]1CN(C)CC[C@@H]1O 2356157918 RXXBVXLDRMZVJD-OLZOCXBDSA-N 322.409 0.998 0 50 DCAA O=C(CCC(=O)NC1CCCCCC1)NCCc1n[nH]c(=O)[nH]1 55413106 XFAHGVONPZEOPJ-UHFFFAOYSA-N 323.397 0.376 0 50 DCAA O=C(Cn1ncc2ccccc2c1=O)NCCCn1ccnc1 28835369 ASMRHTKAIFFRFJ-UHFFFAOYSA-N 311.345 0.800 0 50 DCAA C[C@@H]1c2nc(N)nc(-c3ccncc3)c2CN1C(=O)c1ncn[nH]1 65396650 XASJEZHSBUWAIY-MRVPVSSYSA-N 322.332 0.956 0 50 DCAA CNC(=O)[C@@H]1C[C@@H](N)CN1Cc1cc(OC)c(OC)cc1F 67880342 YOJJJALWXWBOPA-PWSUYJOCSA-N 311.357 0.491 0 50 DCAA C[C@H](N)[C@H]1CCCN(C(=O)CNC(=O)c2ncccc2O)C1 422844773 NAOKSSRQDPWFCD-QWRGUYRKSA-N 306.366 0.103 0 50 DCAA O=C(c1cnn(Cc2ccccc2)c1)N1CCC(O)(CO)CC1 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DCAA C[C@H](O)CNc1ncc(C(C)(C)C(=O)O)c(N2CCOCC2)n1 96149928 FGCWMWXGPCASKJ-JTQLQIEISA-N 324.381 0.468 0 50 DCAA CC(C)=CC[C@@]1(CO)CCCN(C(=O)CN2CCNC(=O)C2)C1 91830229 LJMYOTCUOBBHBY-KRWDZBQOSA-N 323.437 0.376 0 50 DCAA Cc1cccc2nc(CN(C)C(=O)[C@@H](C)NS(C)(=O)=O)[nH]c12 244873299 WNQDZCQNGZLKRX-SNVBAGLBSA-N 324.406 0.767 0 50 DCAA COCCN1C[C@@H](NC(=O)c2ccc3nccn3c2)CC1=O 252491996 MAUHKYXIHCQKLY-LBPRGKRZSA-N 302.334 0.311 0 50 DCAA Cc1cc(C(=O)NCc2nn[nH]n2)c(C)n1[C@H]1CCCOC1 626465402 CTFGITWRNIJXCI-NSHDSACASA-N 304.354 0.900 0 50 DCAA Cc1nc[nH]c1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 584891517 WQTUPJLYPMCLIQ-UHFFFAOYSA-N 305.382 0.098 0 50 DCAA CCCN1C(=O)N[C@@H](CC(=O)NCC(C)(C)N2CCCC2)C1=O 584901352 GSJFZKXAYCPYFA-LBPRGKRZSA-N 324.425 0.698 0 50 DCAA Cc1cccc([C@H](C)NC(=O)[C@@H]2CCCN(CC(N)=O)C2)n1 952984901 YHJWRNUNPMRWOD-QWHCGFSZSA-N 304.394 0.765 0 50 DCAA CN(Cc1cn(C)nn1)C(=O)Cc1nnc(O)c2ccccc12 1461617298 KTQUNIQIIJICPG-UHFFFAOYSA-N 312.333 0.665 0 50 DCAA Cc1nn(C)c(C)c1S(=O)(=O)N1CCOC[C@]12CCOC2 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0.608 0 50 DCAA C[C@H](CCN(C)C)NC(=O)N[C@H]1CCO[C@@H]1c1nccn1C 275591792 KFAYIQIOLIANAV-AGIUHOORSA-N 309.414 0.890 0 50 DCAA COCCN1CCN(C(=O)c2cc(O)ccc2Cl)CC1=O 278559983 AGAXBIUQTDJFIJ-UHFFFAOYSA-N 312.753 0.976 0 50 DCAA CN(C)C(=O)CCNC(=O)[C@H]1CCCN1C(=O)c1ccccc1 192873831 XZTSYRNKOHBBHG-CQSZACIVSA-N 317.389 0.886 0 50 DCAA CNC(=O)[C@H](O)CNc1nnc(-c2cccc(F)c2)cc1C 585083226 CPPNWWSDXYVEJR-CYBMUJFWSA-N 304.325 1.110 0 50 DCAA CCS(=O)(=O)NCC(=O)N1CCC[C@@H](c2ccncc2)C1 572398703 YBIVLYRIIVVVRG-CYBMUJFWSA-N 311.407 0.727 0 50 DCAA Cc1nnc(CN2CCCN(C(=O)c3cncn3C)CC2)s1 981561232 FKCJHYDERFKNEA-UHFFFAOYSA-N 320.422 0.928 0 50 DCAA CC1CCN(Cc2ccc(C(=O)N[C@H]3CCNC[C@@H]3O)o2)CC1 212464074 RCYKMBYBVOYCHY-GJZGRUSLSA-N 321.421 0.964 0 50 DCAA CN1CCN(CC(=O)NCCC2CCCCC2)S1(=O)=O 333477070 FDCZYOHIFHJMGX-UHFFFAOYSA-N 303.428 0.565 0 50 DCAA COc1cc(S(=O)(=O)NC2CNC2)ccc1Br 237228854 XSCIJQZDVSUNBE-UHFFFAOYSA-N 321.196 0.708 0 50 DCAA COC(=O)N[C@@H](C)C(=O)N1CCCN(C(=O)C2(C)CC2)CC1 1772701369 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NVXRUGMWWVIEPG-LBPRGKRZSA-N 322.409 0.261 0 50 DCAA CC(=O)N1CCN(C(=O)Cn2cnc3c2C[C@H](C)[C@H](C)C3)CC1 333740337 VRYIKIAFODKATB-OLZOCXBDSA-N 318.421 0.945 0 50 DCAA O=C1CCc2cc(C(=O)N3CCO[C@H](C(=O)O)C3)c(F)cc2N1 262865603 HYSBDWRRMFRGQS-LBPRGKRZSA-N 322.292 0.636 0 50 DCAA Cc1nonc1CN(C)C(=O)c1cn(C[C@H]2CCCO2)nn1 72153430 MNQDAPGYKBPTCV-SNVBAGLBSA-N 306.326 0.421 0 50 DCAA CC(C)(C)Oc1ccc(C(=O)N2CCOC[C@H]2CC(N)=O)nc1 457033641 JGMAIOLLZOIIMM-LLVKDONJSA-N 321.377 0.975 0 50 DCAA C[C@@H](O)[C@H](N)C(=O)N1CCN(c2ccccc2Cl)C(=O)C1 82091855 LKDHCJMQACTFQU-RNCFNFMXSA-N 311.769 0.223 0 50 DCAA COCCN1C[C@@H](CNC(=O)CCn2ccc(C)n2)CC1=O 221239852 GXPBLWGWUXRYHU-CYBMUJFWSA-N 308.382 0.193 0 50 DCAA O=C(N[C@@H]1CCOC[C@H]1O)C1CCN(C2CCOCC2)CC1 220207852 HRQVJCWHSJZOPL-HUUCEWRRSA-N 312.410 0.143 0 50 DCAA Cc1nccn1CCNC(=O)N1CCOC[C@@H](CN(C)C)C1 426382808 SDIYFKFKWZMHOC-AWEZNQCLSA-N 309.414 0.411 0 50 DCAA COC[C@@]1(C)CN(C(=O)NCC[C@]2(O)CCCOC2)CCO1 624304487 IBFVYTDFCYPSHW-HUUCEWRRSA-N 316.398 0.365 0 50 DCAA COc1ccc(CN2CCC([C@H](O)C(=O)NC3CC3)CC2)cn1 299749672 LGWYIPATAJRMMC-INIZCTEOSA-N 319.405 0.942 0 50 DCAA NC(=O)Cc1ccc(OCC(=O)N2CCCC[C@H]2C(=O)O)cc1 299748776 IDNIKVBNZAXJEB-ZDUSSCGKSA-N 320.345 0.559 0 50 DCAA O=C([C@@H]1CCCNCC1)N1CCC(N2CCC(O)CC2)CC1 828629982 BHPHZVRZNKTXFM-CQSZACIVSA-N 309.454 0.824 0 50 DCAA O=C(N[C@@H]1CCOC[C@H]1OCC1CC1)c1ccn2nnnc2c1 828191904 HHCCOMGTYLMNNH-CHWSQXEVSA-N 317.349 0.438 0 50 DCAA O=C1CCC(C(=O)NCc2noc(-c3cccs3)n2)=NN1 670472861 UCUGHRHUNOQJDC-UHFFFAOYSA-N 305.319 0.680 0 50 DCAA CCn1cnnc1CN(C)S(=O)(=O)N1CCCCCC1 670434334 SGARKHOOYFBIJO-UHFFFAOYSA-N 301.416 0.851 0 50 DCAA O=C(COCc1ccncc1)N1CCc2c(O)ncnc2C1 1412832917 MRIFOGPAAWMVRX-UHFFFAOYSA-N 300.318 0.679 0 50 DCAA CC[C@@H]1C[C@H](CC(=O)NS(=O)(=O)c2ccnn2C)CCO1 408476245 KKQDRUZTQJRMSJ-GHMZBOCLSA-N 315.395 0.820 0 50 DCAA O=C(O)CN(C(=O)CCn1ccccc1=O)C1CCOCC1 408513368 ZHOUKURFFUEJKE-UHFFFAOYSA-N 308.334 0.331 0 50 DCAA CON1CCN(CC(=O)Nc2ccc(NC(C)=O)cc2)CC1 408523360 JBFSIHUOUPAXBK-UHFFFAOYSA-N 306.366 0.763 0 50 DCAA CCOc1ccccc1OCC(=O)N[C@@H]1CCC(=O)NC1=O 269401114 CFFYIDGCZXUCNR-SNVBAGLBSA-N 306.318 0.386 0 50 DCAA Cc1nc(CN2CCCN(C(=O)[C@H]3C[C@@H](O)CN3)CC2)cs1 579954320 QPMNISDCZFGJTP-ZIAGYGMSSA-N 324.450 0.209 0 50 DCAA COCc1cccc(C(=O)N2CCC[C@@](O)(CC(N)=O)C2)c1 643994674 MAGAZBSVHIPTND-MRXNPFEDSA-N 306.362 0.676 0 50 DCAA CN(Cc1nc(O)n[nH]1)C[C@@H]1C[C@H](F)CN1Cc1cncnc1 583621896 NCUHXDOXCGQDGO-RYUDHWBXSA-N 321.360 0.345 0 50 DCAA CC[C@]12COC(=O)N1CCN(C(=O)c1cn3cccnc3n1)C2 1857673336 NVJSSXBXDJSYBM-HNNXBMFYSA-N 315.333 0.786 0 50 DCAA COc1cc(CN2C[C@@H](O)[C@H](CC(=O)O)C2)cc2c1OCO2 1857740274 LLNXTDURICFJKP-GHMZBOCLSA-N 309.318 0.691 0 50 DCAA CCN=c1ccnc(N2C[C@@H]3[C@H](CN(C)C)[C@H]4CC[C@]3(C2)O4)[nH]1 1857741458 UEWIDSGUGJSBAH-ZOMKSWQUSA-N 317.437 0.876 0 50 DCAA CN(C)c1ccc([C@@H]2CCCN2C(=O)c2cnnn2C)nn1 643887740 XUDIDTKOZGBGRZ-NSHDSACASA-N 301.354 0.648 0 50 DCAA O=C(CN1CCCC[C@H](O)C1=O)N1CCC(OC2CCC2)CC1 644498807 BIBPPBKAEORKIE-HNNXBMFYSA-N 324.421 0.920 0 50 DCAA Cc1ccccc1S(=O)(=O)N1C[C@H]2COC[C@@H]1CN(C)C2 1875247677 ZWTLKLXCVDUWES-KBPBESRZSA-N 310.419 0.946 0 50 DCAA CS(=O)(=O)c1ccc(OCCC(=O)N2CC[C@H](N)C2)cc1 132616842 NCCALCUYWAQTSE-NSHDSACASA-N 312.391 0.419 0 50 DCAA O=C(O)[C@@H]1COCCN1C(=O)c1ccc(N2CCCC2)nn1 663026828 JMMZGNYZALLDKE-NSHDSACASA-N 306.322 0.002 0 50 DCAA C[C@@H]1CN(C(=O)CCn2cnc3ccccc3c2=O)CCN1 155140232 DVFRDRKQRGTKPF-GFCCVEGCSA-N 300.362 0.607 0 50 DCAA O=C(Cc1cn2ccccc2n1)N1CCC(O)(C(=O)O)CC1 262558254 YVSRPHCKKPQAFY-UHFFFAOYSA-N 303.318 0.315 0 50 DCAA COCCOCCN1CCN(C(=O)[C@H](C)CSC)CC1 593887382 RXFQERYYHQMDRN-CYBMUJFWSA-N 304.456 0.793 0 50 DCAA Cc1cnc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cn1 903655366 BFGKGGYPFLGQJD-SNVBAGLBSA-N 309.351 0.744 0 50 DCAA O=C(NCc1cnc2n1CCC2)c1nc(=O)c2ccccc2[nH]1 1875282522 IGXBFQRTXUHKIK-UHFFFAOYSA-N 309.329 0.996 0 50 DCAA CS(=O)(=O)c1ccc(N2CCC[C@](O)(C(=O)O)C2)c(F)c1 1875283050 CUTIYGQSVSFDAW-CYBMUJFWSA-N 317.338 0.645 0 50 DCAA CN(C[C@H](O)C1CC1)C(=O)C(=O)NC[C@H]1CCSC1(C)C 1875281775 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311.285 0.703 0 50 DCAA CCCNC(=O)CN1CCC(NC(=O)c2cncnc2)CC1 273619169 OEBQEFFQLXBARX-UHFFFAOYSA-N 305.382 0.197 0 50 DCAA CN(C)c1nc2cc(C(=O)NCc3nnc(N)o3)ccc2o1 585081996 NIIBFMKEDGMBRS-UHFFFAOYSA-N 302.294 0.789 0 50 DCAA CN(C)[C@@]1(C(=O)N2CCC[C@@H](O)C2)COc2ccccc2C1 1616040288 DNEZKVKCMGAZKM-RHSMWYFYSA-N 304.390 0.905 0 50 DCAA CC(=O)N(C)c1ccc(NC(=O)CN2C[C@@H]3CCN[C@@H]3C2)cc1 1506420288 AXYLPDKGDWOREF-XJKSGUPXSA-N 316.405 0.902 0 50 DCAA C[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)OCc3ccccc3)CN2C1=O 14754915 AHPXTUDAERGHQB-DRZSPHRISA-N 317.345 0.401 0 50 DCAA COC(=O)c1ccc(N2C(=O)C[C@@H](SCCN)C2=O)cc1 18105987 VPWCXRAISGZQMU-LLVKDONJSA-N 308.359 0.797 0 50 DCAA CN1CCn2nc(C(=O)N3CC(c4ccncc4)C3)cc2C1=O 1857679795 WCWRXWMHQCINQY-UHFFFAOYSA-N 311.345 0.603 0 50 DCAA NC(=O)[C@]1(O)CCCN(Cc2cnn(Cc3ccccc3)c2)C1 367491918 AVNSZOULYFWUDR-KRWDZBQOSA-N 314.389 0.744 0 50 DCAA Cc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)O)CC2)nc(C)n1 584907985 KKAKWGAIBAKGBU-NEPJUHHUSA-N 304.350 0.463 0 50 DCAA 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0 50 DCAA O=C(NCCS(=O)(=O)N1CCCC1)[C@@H]1C[C@H]1c1cccnc1 888862155 WLDFUTFSRHISKK-UONOGXRCSA-N 323.418 0.727 0 50 DCAA Cc1n[nH]cc1CCCNC(=O)[C@@]12CNC[C@@H]1COC2(C)C 1775985093 KFPINNXNNCNECI-CZUORRHYSA-N 306.410 0.782 0 50 DCAA COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1C 213345 XAYYKALXCBSEJI-UHFFFAOYSA-N 312.391 0.890 0 50 DCAA Cc1ccc(Cn2c(N(C)C)nc3c2c(=O)[nH]c(=O)n3C)cc1 407678 OKVCTWYYVIBQMD-UHFFFAOYSA-N 313.361 0.846 0 50 DCAA CCOC(=O)c1[nH]c(=O)[nH]c1CSc1nnc(C)c(O)n1 3117445 IHDZARWDIXGYNU-UHFFFAOYSA-N 311.323 0.371 0 50 DCAA Cc1ccc(C)c(O[C@@H](C)C(=O)NCCNS(C)(=O)=O)c1 55211464 UYENOCVZFILWNV-LBPRGKRZSA-N 314.407 0.736 0 50 DCAA N[C@H](Cc1ccc(O)c(I)c1)C(=O)O 391106 UQTZMGFTRHFAAM-SSDOTTSWSA-N 307.087 0.951 0 50 DCAA biogenic,in-vitro CN(C)CCN(CC(=O)O)C(=O)[C@H]1COc2ccccc2O1 317833067 BPRQVABQZAZUDK-CYBMUJFWSA-N 308.334 0.301 0 50 DCAA CCN1CCN(S(=O)(=O)c2cccnc2)C[C@@H]1c1ncc[nH]1 328642754 YLPBQHYRYFVCGO-CYBMUJFWSA-N 321.406 0.872 0 50 DCAA C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCOCc2ccccc21 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634195329 UZUYVSKSOZKDLF-LBPRGKRZSA-N 317.393 0.298 0 50 DCAA CN(C)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2N2CC[C@H](O)C2)cn1 644072030 POGDOGPQKYZCHB-ZNMIVQPWSA-N 318.421 0.865 0 50 DCAA Cn1nncc1CC(=O)N1CCCC[C@@H]1CN1CCOCC1 668564570 OXJMCVCCMOLFMR-CYBMUJFWSA-N 307.398 0.071 0 50 DCAA CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(OC(C)C)nc1 585115079 LJHJFFFFVDJFPI-SNVBAGLBSA-N 315.395 0.672 0 50 DCAA O=C(Cn1nc(-c2ccccc2)oc1=O)NOC1CCOCC1 772723735 LCHKEIHOJISUAY-UHFFFAOYSA-N 319.317 0.730 0 50 DCAA Cc1sc(O)nc1C(=O)N1CC2(CCNCC2)[C@H]2COC[C@H]21 1615589891 MHZIFSJOKFPHHL-WDEREUQCSA-N 323.418 0.998 0 50 DCAA COC(=O)[C@@H]1C[C@H](O)CCN1C(=O)c1cnc2ccccc2n1 210274938 MFRHZXAWNXBTBB-YGRLFVJLSA-N 315.329 0.768 0 50 DCAA O=C(Cn1nc2ccccn2c1=O)N[C@H]1c2ccccc2C[C@H]1O 303119995 ZTGKZLXXXVZFEZ-CJNGLKHVSA-N 324.340 0.271 0 50 DCAA CCc1ncc(NC(=O)[C@H]2Cn3c(C)nnc3CN2C)cn1 644399069 SZCCZRDDKJCIEB-LLVKDONJSA-N 301.354 0.392 0 50 DCAA C=CC(=O)N(CC)CC(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 901092583 WWKFMXAFBGFMMM-UHFFFAOYSA-N 322.386 0.989 0 50 DCAA CCOc1cnc(-c2noc([C@]34CNC[C@H]3CCOC4)n2)cn1 904684602 XSIUDLUMBUINMS-BMIGLBTASA-N 317.349 0.803 0 50 DCAA CN1CCC[C@]2(CO)CCN(c3nc(C(N)=O)cs3)C[C@@H]12 1704316198 ZYFXCQHVOJQMAP-BXUZGUMPSA-N 310.423 0.525 0 50 DCAA NC(=O)C1(O)CN(C(=O)c2ccc(OC(F)F)cc2F)C1 827358748 HFGFYCUAZIFFKW-UHFFFAOYSA-N 304.224 0.099 0 50 DCAA C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(F)cc(F)c1O 933307420 FDXUTKOSSYOFCQ-SSDOTTSWSA-N 305.302 0.930 0 50 DCAA CCOC(=O)N1CCN(C[C@@H](O)C[C@](C)(O)C2CC2)CC1 863968803 OJLBDQTVZUHHFW-ZFWWWQNUSA-N 300.399 0.673 0 50 DCAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1cc(C)cc(O)n1)C2 952849040 WBXVSSIRZYAPII-BZNIZROVSA-N 319.361 0.320 0 50 DCAA CCc1nnc(N2C[C@H]3COCC[C@@]3(C(=O)NC)C2)nc1CC 952852392 HUFGPDGCWBNQDV-MEDUHNTESA-N 319.409 0.585 0 50 DCAA COC(=O)/C=C/CCNC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 1875319300 WRRVSXGLSYTFAJ-MFNRBIAXSA-N 324.377 0.392 0 50 DCAA Cn1ccc(N2CCC[C@H](n3cc(C(C)(C)O)nn3)C2=O)n1 881314935 IWEAXXXDKHXHDZ-JTQLQIEISA-N 304.354 0.607 0 50 DCAA CO[C@@H]1CN(CCn2cc(Cl)cn2)C[C@H]1c1cn(C)nn1 886071925 IANDUXJUIFOTOA-WCQYABFASA-N 310.789 0.779 0 50 DCAA Cc1ccc(S(=O)(=O)NN2CCS(=O)(=O)[C@H](C)C2)cc1 405433 QEOWARKNSZRVOQ-LLVKDONJSA-N 318.420 0.307 0 50 DCAA Cn1nnc([C@H]2CN(CCOc3ccc(F)cc3)CCO2)n1 2356146057 PIORSCGOECIHIW-CYBMUJFWSA-N 307.329 0.802 0 50 DCAA Cc1cc(N(CC(=O)N(C)C)S(C)(=O)=O)n(CC(C)C)n1 2356152122 BAWCIDMXEZEQRI-UHFFFAOYSA-N 316.427 0.702 0 50 DCAA CC(C)(C)c1onc(OCP(=O)(O)O)c1C[C@@H](N)C(=O)O 4475051 AGSOOCUNMTYPSE-SSDOTTSWSA-N 322.254 0.441 0 50 DCAA aggregator,in-vitro CCc1cc(=O)n2nc(N(CC)[C@@H]3CCNC3=O)sc2n1 225646387 MMIVAMSLTMSPAN-SECBINFHSA-N 307.379 0.428 0 50 DCAA CCCCNC(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)O 71770859 SDSIXAOIDRCIHR-NQMVMOMDSA-N 315.395 0.601 0 50 DCAA CC(=O)N1CSC[C@H]1C(=O)NCc1nc(C(=O)O)cs1 331102101 DKAYATVGYFNVET-QMMMGPOBSA-N 315.376 0.379 0 50 DCAA C[C@@H]1CN(C(=O)CN2CCCC[C@H]2Cn2cncn2)CCO1 253601260 NOGBPFZHDFPSPO-KGLIPLIRSA-N 307.398 0.380 0 50 DCAA CCNC(=O)c1ccc(N2CCC(F)(F)[C@@H](CO)C2)nn1 359966740 RBHAMACPWOIJDH-SECBINFHSA-N 300.309 0.680 0 50 DCAA Cc1cc(-n2cncn2)ccc1C(=O)NC1(CO)CCOCC1 332395460 LJEKVGUDFQDNSP-UHFFFAOYSA-N 316.361 0.847 0 50 DCAA COCCN1C[C@H](C(=O)N2CCC(n3cccn3)CC2)CC1=O 363959699 KAUCBLUQUFEPKQ-CYBMUJFWSA-N 320.393 0.542 0 50 DCAA NC(=O)NCCC(=O)N1CCO[C@@H](Cc2cccc(F)c2)C1 71681410 AFIRWNNMQVJLKQ-ZDUSSCGKSA-N 309.341 0.654 0 50 DCAA COC(=O)[C@H](F)CN1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 240225418 DHRKINHRJKVRHU-RBSFLKMASA-N 315.433 0.988 0 50 DCAA O=C(c1ccccc1[C@@H]1CCNC1)N1CCS(=O)(=O)CC1 72159390 LAHLYWOIOFBNQX-GFCCVEGCSA-N 308.403 0.634 0 50 DCAA COc1c(C)cc(C(=O)NCc2cn(CC(=O)O)nn2)cc1C 262825722 QJXJOXCPNXHJAO-UHFFFAOYSA-N 318.333 0.918 0 50 DCAA C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)CCCCc1cnn[nH]1 378059124 YAEZQDJNLHHXKR-UKRRQHHQSA-N 321.425 0.839 0 50 DCAA CCc1nnc(CNC(=O)c2cnc3c(O)cccn3c2=O)o1 426411262 HLWVSKPOJCYKGC-UHFFFAOYSA-N 315.289 0.276 0 50 DCAA O=C(O)CNC(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1 426485592 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C[C@@H](C(=O)NC(N)=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 245746019 MULQHQGDTUMCAW-WCBMZHEXSA-N 306.370 0.445 0 50 DCAA CCCCN(CCCCO)C(=O)[C@@H]1CCCN(CC(N)=O)C1 55153611 JITXKWLBDLDVOB-CQSZACIVSA-N 313.442 0.585 0 50 DCAA Cc1nc([C@@H]2CC(=O)N(C(C)C)C2)[nH]c1C(=O)N1CCOCC1 23192820 PMFHFTGHHKFHQL-GFCCVEGCSA-N 320.393 0.915 0 50 DCAA CS(=O)(=O)NCC[C@H]1CN(Cc2ccccc2F)CCO1 67920272 MXBAHKMWAFCUGB-ZDUSSCGKSA-N 316.398 0.966 0 50 DCAA COc1ccc(C(=O)NCC[C@H]2CN(C)CCO2)c(OC)n1 67856022 SGCWOYSGIFBUHP-NSHDSACASA-N 309.366 0.549 0 50 DCAA O[C@H]1CCCN(c2ccnc(N3CCc4[nH]cnc4C3)n2)C1 65417270 GRQFWXAHPBPNIO-NSHDSACASA-N 300.366 0.724 0 50 DCAA CNC(=O)[C@@H]1C[C@H](N)CN1C(=O)Cc1noc2ccccc12 67654600 SPSJCXURIRQFKN-CABZTGNLSA-N 302.334 0.045 0 50 DCAA CS(=O)(=O)NC(=O)CCNC(=O)[C@@H](F)CC1CCCCC1 253397600 XVBVNHLHWBDYFY-NSHDSACASA-N 322.402 0.877 0 50 DCAA O[C@]1(CN2CCN(CCc3ccccn3)CC2)CCCNC1 72431024 HMFAJWQIVSBUEF-QGZVFWFLSA-N 304.438 0.356 0 50 DCAA Cn1c(CCNC(=O)[C@@H]2CNCCO2)nc2ccc(F)cc21 237735664 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312.333 0.120 0 50 DCAA COc1cc2c(cc1NC(=O)N1CCOCC1)n(C)c(=O)n2C 426402074 UIWQMBMROJZUPJ-UHFFFAOYSA-N 320.349 0.750 0 50 DCAA C[C@H](C(=O)N1CC(Oc2ccccc2)C1)N1CCN(C)CC1 426490599 SDAQGXSBMMHBRE-CQSZACIVSA-N 303.406 0.912 0 50 DCAA CC1(C)CN(C(=O)c2cnc(N3CCOCC3)nc2)C[C@]1(C)O 91433938 FZSCVUUCMRNTMK-INIZCTEOSA-N 320.393 0.546 0 50 DCAA Cc1cccc2ncc(C(=O)N3CCc4[nH]cnc4C3)c(=O)n12 96165683 OLSHOEVDZPSMSN-UHFFFAOYSA-N 309.329 0.925 0 50 DCAA CNC(=O)c1noc(CN(C)Cc2nc3ccccc3n2C)n1 244899928 ZTDAFXDAKXKTBD-UHFFFAOYSA-N 314.349 0.948 0 50 DCAA COC[C@@]12[C@@H]3[C@H]4[C@@H]([C@H]5[C@@H]([C@H]43)[C@H]51)n1c(=O)n(-c3ccccc3)c(=O)n12 247891372 TXKPJHYIMZUSAU-HTIQSNMTSA-N 323.352 0.449 0 50 DCAA Cc1n[nH]nc1C(=O)N[C@H]1C[C@H](c2nnc(CO)n2C2CC2)C1 244626853 FTVYHSNGPXBNFY-KYZUINATSA-N 317.353 0.208 0 50 DCAA CC(=O)N1CSC[C@@H]1C(=O)NCc1cc(C(=O)O)c(C)o1 299751751 ROTYUOUZMJENHG-LLVKDONJSA-N 312.347 0.824 0 50 DCAA NS(=O)(=O)C[C@@H]1CCN(C(=O)CC2Cc3ccccc3C2)C1 252490586 KXHHLZQKMFKIFI-GFCCVEGCSA-N 322.430 0.929 0 50 DCAA CN1CCN(CC2(CNc3cncc(C(N)=O)n3)CC2)CC1 534641761 HROMGNIIGQCOKW-UHFFFAOYSA-N 304.398 0.015 0 50 DCAA O=C(O)CCn1cc(CN2CCN(c3cnccn3)CC2)cn1 534675278 QARICSDDUFRWGG-UHFFFAOYSA-N 316.365 0.470 0 50 DCAA CN(CC(=O)N[C@H](c1nccn1C)C1CC1)C1CCNCC1 828000871 IHCRXQKFUDBKOO-HNNXBMFYSA-N 305.426 0.671 0 50 DCAA CN(C)C(=O)CN1CC[C@H](NCC2(CO)CCC2)CCC1=O 584901092 XVLBBUQAKPBNRX-CYBMUJFWSA-N 311.426 0.208 0 50 DCAA Cc1cc(N2CCN(C(=O)c3nc(C)c[nH]3)CC2)nc(N)n1 584890857 JBUSXBGVUXOGCE-UHFFFAOYSA-N 301.354 0.361 0 50 DCAA COC(=O)C(C)(C)NC(=O)C(=O)Nc1ccnn1[C@H](C)C1CC1 170617153 KKGLZFWOLRJMJM-SECBINFHSA-N 322.365 0.860 0 50 DCAA C[C@@H]1CN(CCN2CCS(=O)(=O)c3ccccc3C2)CCO1 192804522 CKOSCUYOIOAPCT-CQSZACIVSA-N 324.446 0.997 0 50 DCAA NS(=O)(=O)N1CCC(C(=O)Nc2ccc3[nH]ncc3c2)CC1 193388715 SHVZOZIOKBYRER-UHFFFAOYSA-N 323.378 0.417 0 50 DCAA CC(C)(C)CN1CCC[C@@H](N2C[C@@H](O)[C@H](n3ccnn3)C2)C1=O 585116506 ZAKIQWPVPWLLJJ-MGPQQGTHSA-N 321.425 0.533 0 50 DCAA 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C[C@H](Cc1ccccn1)N1CCN(c2cnn(C)c(=O)c2)CC1 200513879 XWOPPZOCLLSYJY-CQSZACIVSA-N 313.405 0.929 0 50 DCAA O=C(N[C@H]1CCO[C@H](CO)[C@H]1O)c1cc(-c2ccccc2)no1 1857697961 RSGWMXOWYHUMIA-GLQYFDAESA-N 318.329 0.582 0 50 DCAA CCOC(=O)C1(NC(=O)[C@H]2CCc3ncnn3C2)CCOCC1 1857714869 PYTDBBMUORUBNK-NSHDSACASA-N 322.365 0.069 0 50 DCAA O=c1cc(CN2CC[C@H](CO)[C@H](O)C2)[nH]c2ccc(F)cc12 1875243278 ZJLMIYLXYDNFDI-QLJPJBMISA-N 306.337 0.842 0 50 DCAA CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)CCc1ccc(O)cc1 617888812 RYGWLTLISDFLSU-STQMWFEESA-N 313.375 0.253 0 50 DCAA O=C(Cn1ccc(C(=O)O)n1)NC[C@]12OCCC[C@H]1C2(F)F 909959386 QYQKUWRQCIOCGC-SKDRFNHKSA-N 315.276 0.512 0 50 DCAA CNC(=O)[C@H]1Cn2c(C)nnc2CN1C(=O)C(F)=C1CCCC1 818368769 QRJYMMBMAIPFET-LLVKDONJSA-N 321.356 0.841 0 50 DCAA Cc1nc(CNC(=O)c2ccc(C(N)=O)[nH]2)ccc1[C@H](C)O 857169941 HHRZLGLOQQEFKM-VIFPVBQESA-N 302.334 0.800 0 50 DCAA COC(=O)c1ccc(C(=O)N2CCc3nnc(OC)cc3C2)[nH]1 952888451 ZXHFVJAYNZFCJO-UHFFFAOYSA-N 316.317 0.798 0 50 DCAA CCc1nn(C)cc1CN1CCC[C@](O)(Cn2ccnn2)C1 888076480 NXBUTKQLDDTUTL-OAHLLOKOSA-N 304.398 0.601 0 50 DCAA NCCn1cc(C(=O)N[C@H]2CCC[C@H]2Cc2ccccn2)nn1 888101341 LHAKWYLQYHTBBO-JSGCOSHPSA-N 314.393 0.773 0 50 DCAA CC[C@@](NC(=O)COCc1nc(C2CC2)no1)(C(N)=O)C1CC1 2325826989 RGLRLBIQRQPWAX-HNNXBMFYSA-N 322.365 0.624 0 50 DCAA CCc1nc(O)ccc1C(=O)NCCN1CCCC[C@H]1CO 2356152099 QYYBOFUKWPMREN-LBPRGKRZSA-N 307.394 0.926 0 50 DCAA O=C(NCC(=O)N1CCC[C@@H]1C(=O)NC1CC1)c1cccs1 117239057 BCPCBXYXWQRQNI-LLVKDONJSA-N 321.402 0.748 0 50 DCAA O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1ncc[nH]1 409413266 IDDTVPBJNMLVHW-NSHDSACASA-N 313.317 0.879 0 50 DCAA biogenic COC(=O)c1c(NC(=O)CCC(=O)O)sc(C(N)=O)c1C 6184384 ALSLWMUPNVWCCL-UHFFFAOYSA-N 314.319 0.745 0 50 DCAA CC(C)c1cc(C(=O)N2CCc3c(ncn(C)c3=O)C2)nn1C 328626720 MABZFDJKFYNKNR-UHFFFAOYSA-N 315.377 0.836 0 50 DCAA CN1CCO[C@H](CN(CC2CC2)C(=O)CCc2cnn(C)c2)C1 328625140 CUBXTOXSLCVTNJ-INIZCTEOSA-N 320.437 0.922 0 50 DCAA CN1CCC(N(Cc2ccncc2)C(=O)[C@H]2CNCCO2)CC1 72411293 NUBRMTQOMHQNRI-MRXNPFEDSA-N 318.421 0.493 0 50 DCAA O[C@@]1(CN2CCCC2)COCCN(c2ncnc3[nH]ccc23)C1 77503989 WFCDQUHOAVJUKM-MRXNPFEDSA-N 317.393 0.621 0 50 DCAA Cn1cnc(S(=O)(=O)NCCc2cccc(C(=O)O)n2)c1 281804971 IWIKPPOEUFJPOC-UHFFFAOYSA-N 310.335 0.034 0 50 DCAA C[C@H](NC(=O)Nc1ccccc1)C(=O)NC[C@](C)(O)C(=O)O 262529447 PHFBMGIFEVOLKJ-XPTSAGLGSA-N 309.322 0.148 0 50 DCAA CN(C)CCN(CC(=O)O)C(=O)c1ccc2nccnc2c1 318183125 WNLIALCNVALBLA-UHFFFAOYSA-N 302.334 0.718 0 50 DCAA C[C@H](CNC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)C(=O)O 262541339 RKMXXMAHEQOYJO-VXGBXAGGSA-N 311.382 0.751 0 50 DCAA O=C(NC[C@@H](O)COc1ccc2c(c1)OCO2)[C@H]1CCCN1 261658949 FZINAKONXAATHI-ZYHUDNBSSA-N 308.334 0.023 0 50 DCAA O=C(NC1CC1)[C@H]1CNCCN1C(=O)c1cccc2cnccc12 72128110 NVGPTLYVVLLDRQ-MRXNPFEDSA-N 324.384 0.927 0 50 DCAA CCNC(=O)[C@H]1CCN(C(=O)c2ccc(N(C)CCO)cc2)C1 222479234 SJOMRPCVIWSVCB-AWEZNQCLSA-N 319.405 0.713 0 50 DCAA C[C@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)C(=O)O 44900562 LTDZZHZNWVZEHS-JTQLQIEISA-N 301.302 0.500 0 50 DCAA CN1CC[C@@]2(CCC1=O)CN(CCn1ccnc1)CCN2C 91706761 QDWXWDHMQYMIAM-INIZCTEOSA-N 305.426 0.512 0 50 DCAA CCC[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)Cn1ccnc1 91303952 PKKUPBWSXBKMDK-RYUDHWBXSA-N 314.411 0.059 0 50 DCAA Cc1nc([C@H]2CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)n[nH]1 616295660 DVWZOLPDIFDDSQ-UWVGGRQHSA-N 301.354 0.667 0 50 DCAA O=C1CC[C@@H](C(=O)NCCOCc2ccccc2)NC(=O)N1 97334250 JGTJFLGQVPQZSR-LBPRGKRZSA-N 305.334 0.308 0 50 DCAA CCOC(=O)c1cn(CCNC(=O)N2CCSCC2)cn1 296279306 YZAMPRFMZOAWAS-UHFFFAOYSA-N 312.395 0.818 0 50 DCAA Cc1cnccc1CN1CCN(c2cc(O)nc(N)n2)CC1 253536425 QHPWSBRKRHXCJJ-UHFFFAOYSA-N 300.366 0.790 0 50 DCAA CC(=O)c1c(-c2cccc(C(=O)N[C@@H](C)C(N)=O)c2)cnn1C 584901989 HCSIBXWLSRONHK-VIFPVBQESA-N 314.345 0.893 0 50 DCAA CC[C@@H]1CN(S(=O)(=O)c2cccc3nn(C)nc23)CCO1 670435721 ZHELXRXULOECQN-SNVBAGLBSA-N 310.379 0.768 0 50 DCAA Cc1cc(C)n(CC(=O)N[C@@H](C)c2nnc(N)s2)c(=O)n1 670439391 BLHLUUJNOPOBFE-QMMMGPOBSA-N 308.367 0.171 0 50 DCAA Cc1nc(N)nc(C)c1CC(=O)N1C[C@H](C)[C@@](O)(C2CC2)C1 1565525742 KARZSYRPJKYDJI-XXFAHNHDSA-N 304.394 0.838 0 50 DCAA O=C(O)CN(C(=O)Cn1nnc2ccccc21)C1CCOCC1 408513293 LWEOOINZHWVGSM-UHFFFAOYSA-N 318.333 0.524 0 50 DCAA COCC(=O)N1CCc2cc(NC(=O)Cn3ccnn3)ccc21 187450379 IQVJNPYAEVTHRN-UHFFFAOYSA-N 315.333 0.452 0 50 DCAA COC(=O)C[C@@H](NC(C)=O)C(=O)N1CCC[C@H]1C(F)(F)F 585127979 OGQKKKUVDHHNDO-BDAKNGLRSA-N 310.272 0.608 0 50 DCAA O=S(=O)(NCc1ccncc1O[C@H]1CCNC1)c1ccco1 685940602 PKBPPCBHWRNOTR-LBPRGKRZSA-N 323.374 0.894 0 50 DCAA CS(=O)(=O)N(CCO)Cc1cc(Cl)c2c(c1)OCCO2 1616039630 SHSNSJCRYVHOKI-UHFFFAOYSA-N 321.782 0.865 0 50 DCAA O=C(/C=C/c1cc(CO)cs1)N1CCN2C(=O)OC[C@@H]2C1 1506416383 VZEPKKYGVRQZEJ-GXFZAYBSSA-N 308.359 0.917 0 50 DCAA C[C@H]1CN(C(=O)c2ncccc2Cl)CCN1S(C)(=O)=O 345518845 CGJSQONKXOXGKM-VIFPVBQESA-N 317.798 0.841 0 50 DCAA COc1nc(N2C[C@@H](O)[C@H](Cc3cnccn3)C2)ncc1F 1704340664 LCRDLYMZACPAAP-BXKDBHETSA-N 305.313 0.454 0 50 DCAA Cn1nccc1CCC(=O)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704348437 NCOMYPCURYOCND-IUODEOHRSA-N 315.377 0.205 0 50 DCAA Cc1cc(C[C@@H]2CN(C(=O)c3oc(C)nc3C)C[C@H]2O)n[nH]1 1704346982 DXXYUJOBJJCSEV-DGCLKSJQSA-N 304.350 0.999 0 50 DCAA NC(=O)CN1CCC[C@@H](C(=O)NCc2cccn3nccc23)C1 1772818779 YGFBOGAIXIBLEO-CYBMUJFWSA-N 315.377 0.148 0 50 DCAA Cn1c(CO)nnc1C1CCN(CC[C@@H]2COCCO2)CC1 1775984428 TWXOEAZDDPHBJU-CYBMUJFWSA-N 310.398 0.292 0 50 DCAA CS(=O)(=O)CCn1c(Cc2ccc(F)cc2)noc1=O 1857533294 FQRIXXZKLYUNLQ-UHFFFAOYSA-N 300.311 0.611 0 50 DCAA Cn1cnc2c(C(=O)NC[C@@]34CCC[C@@H]3C4(F)F)[nH]nc2c1=O 1857527676 FAWIFMKBPCVJRO-CPFSXVBKSA-N 323.303 0.822 0 50 DCAA CCC[C@]1(CO)CCN(C(=O)CCc2cc(O)no2)C[C@H]1O 1875251553 ULFIZZKKPDOKND-IUODEOHRSA-N 312.366 0.685 0 50 DCAA CCN1CCN(C(=O)c2cc(C)nc(O)n2)C[C@H]1c1ncc[nH]1 328627151 MLNZUBKGDWRKMF-LBPRGKRZSA-N 316.365 0.733 0 50 DCAA Cn1c(CCNC(=O)[C@@H]2COCCN2)nc2cc(F)ccc21 237735785 NOJZHRZAXASWDY-LBPRGKRZSA-N 306.341 0.360 0 50 DCAA CN1CC[C@@H](NC(=O)CN2CCOCC2=O)[C@@H]1c1ccccc1 253429206 CFAJEATXCGMQMR-PBHICJAKSA-N 317.389 0.407 0 50 DCAA O=C(N[C@H]1CCN(Cc2ccccc2)C1=O)[C@@H](O)c1cnc[nH]1 865037556 VXWCVUCNDWDYSF-JSGCOSHPSA-N 314.345 0.360 0 50 DCAA Cc1cc(N)cc(CNS(=O)(=O)N=[S@@](C)(=O)N(C)C)c1 952879389 PFDJTWAYFJLNIO-LJQANCHMSA-N 320.440 0.486 0 50 DCAA CC(C)Cn1cc(S(=O)(=O)NC(=O)c2cncn2C)cn1 1875291194 QSBFDMSPSYHYNO-UHFFFAOYSA-N 311.367 0.391 0 50 DCAA CO[C@]1(CN(C)C(=O)c2nccc3ncncc23)CCOC1 1875318397 IUVANKMMHMVGMP-HNNXBMFYSA-N 302.334 0.902 0 50 DCAA Cc1noc(C[C@@]2(O)CCCN(C(=O)CCn3cccn3)C2)n1 886097018 RLJYIOJIZIOGDP-HNNXBMFYSA-N 319.365 0.561 0 50 DCAA COC(=O)c1cc(CS(=O)(=O)N[C@H](C)CSC)on1 1775989562 PKZUGXAOPKPGOB-SSDOTTSWSA-N 308.381 0.632 0 50 DCAA CN(C(=O)Cc1cnc(O)n(C)c1=O)[C@H]1C[C@H]2C[C@@H](O)C[C@H]2C1 2100545058 GEWHOPJOMKSJEB-NIFPGPBJSA-N 321.377 0.036 0 50 DCAA CC(C)(O)C(C)(C)OB(O)c1cnn(Cc2cccnc2)c1 232321189 HICPIZCHCDCRDM-UHFFFAOYSA-N 303.171 0.580 0 50 DCAA CN1CCC[C@@]2(CCCN2C(=O)Cc2cnc(O)nc2O)C1=O 2356162615 NHULWOSEHSKBLZ-OAHLLOKOSA-N 320.349 0.044 0 50 DCAA Cc1nonc1CC(=O)N1CCNC(=O)[C@H]1Cc1ccccc1 20109891 QVNJKXGMRBWUMG-CQSZACIVSA-N 314.345 0.490 0 50 DCAA COC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1c[nH]c2ccccc12 20914599 JIRKHDRSDOHDPM-CYBMUJFWSA-N 315.329 0.672 0 50 DCAA CCOC(=O)c1cn(CC(N)=O)nc1I 408525149 NEQSOZKRTATVSJ-UHFFFAOYSA-N 323.090 0.150 0 50 DCAA CN1CCN(C(=O)CCc2n[nH]c3c2CCCC3)C[C@H]1C(=O)O 67871738 LTBKSKYMSWGZHK-AWEZNQCLSA-N 320.393 0.448 0 50 DCAA C[C@H](O)CN1CCN([C@@H](C)C(=O)NCC(F)(F)F)C[C@@H]1C 229527720 ZLIBFPUUMJCMMN-DCAQKATOSA-N 311.348 0.440 0 50 DCAA O=C(O)c1ccccc1CN1CCN(c2ncc[nH]c2=O)CC1 216223866 IPSBOGBMEGMVMZ-UHFFFAOYSA-N 314.345 0.790 0 50 DCAA O=C(COc1ccc2c(c1)OCO2)N1CCC[C@@](O)(CO)CC1 72132964 JRHJQBJFQDKSKR-INIZCTEOSA-N 323.345 0.530 0 50 DCAA O=C(CCn1c(=O)oc2ccccc21)N1CCCCS1(=O)=O 253431744 IBJNBPVAUDTAFW-UHFFFAOYSA-N 324.358 0.937 0 50 DCAA C[C@H]1CN(C(=O)NCc2cncn2C)C[C@H](C)S1(=O)=O 358117054 KRPGJHVFQNYVQI-UWVGGRQHSA-N 300.384 0.137 0 50 DCAA O=C(NC[C@H](O)c1c(Cl)cccc1Cl)[C@@H]1C[C@@H](O)CN1 238001828 SPNUMTUZYABINZ-GGVZMXCHSA-N 319.188 0.866 0 50 DCAA Cc1n[nH]c(C)c1[C@@H]1COCCN1CCS(=O)(=O)N(C)C 375724328 VMMVPXFSCMMUJX-LBPRGKRZSA-N 316.427 0.291 0 50 DCAA O=C(c1ccc(C(F)(F)F)nc1O)N1CCOC[C@H](O)C1 77440369 LGOWQGVGBHXFDF-SSDOTTSWSA-N 306.240 0.639 0 50 DCAA Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2C2CC2)cc1C(N)=O 371215073 IAJISSBFVHPFMH-CQSZACIVSA-N 324.402 0.893 0 50 DCAA Cc1cc(=O)[nH]c(SCC(=O)N[C@@H]2CC(=O)N(C(C)C)C2)n1 219025777 DOZJSYBWHWYEQZ-SNVBAGLBSA-N 324.406 0.296 0 50 DCAA CCOCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1 77343067 GQJZWMSSEWRFAW-UHFFFAOYSA-N 308.382 0.149 0 50 DCAA CCCNC(=O)c1cccc(C(=O)NC[C@@](C)(O)C(=O)O)c1 262436260 TVNBBYBASRCITD-OAHLLOKOSA-N 308.334 0.392 0 50 DCAA CC(C)[C@H]1CN(CC(=O)O)C[C@@H]1NC(=O)CCCc1cn[nH]c1 219560234 CTGVPZUTTKWIQT-KGLIPLIRSA-N 322.409 0.890 0 50 DCAA O=C(Cn1ccnn1)N[C@@H]1CCOC[C@H]1Oc1ccccn1 222538234 LYEHQWJKTWZKOC-VXGBXAGGSA-N 303.322 0.026 0 50 DCAA NC(=O)CCC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 220203949 VHYKHGIEELOBPN-ZIAGYGMSSA-N 306.362 0.742 0 50 DCAA CN1CC(=O)N(CC(=O)N2CCC(C(F)(F)F)CC2)C1=O 81312880 VVCCQOJEVKCPML-UHFFFAOYSA-N 307.272 0.681 0 50 DCAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1ccc2c(c1)CCC(=O)N2 286709695 FZKRAAMEPIRWIJ-PWSUYJOCSA-N 305.309 0.609 0 50 DCAA CN1CCN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)CC1 41317895 GYNQAYAHHODOQJ-UHFFFAOYSA-N 323.418 0.515 0 50 DCAA Cc1ccccc1CNC(=O)CN1CCNC[C@H](C(=O)O)C1 97243804 DAZLUTTWMAFWKA-AWEZNQCLSA-N 305.378 0.217 0 50 DCAA CN1CC[C@H]2CN(C(=O)CCc3cccnc3)C[C@@]2(C(=O)O)C1 91872353 PWXQGMWOOXJGDW-YOEHRIQHSA-N 317.389 0.879 0 50 DCAA C[C@@H]1CN(C(=O)C2CCS(=O)(=O)CC2)C[C@@]1(O)C1CC1 91877056 ZTTGVLAUISUVNX-YGRLFVJLSA-N 301.408 0.431 0 50 DCAA C[C@@H]1CN(c2cc(NCCO)nc(N)n2)CC[C@@]1(O)C1CCC1 91950590 YFSNYYHGBSQRQJ-BZNIZROVSA-N 321.425 0.840 0 50 DCAA COCCN1C[C@@]2(CCCN(C(=O)c3cn[nH]c3)C2)CCC1=O 299764806 LWVCLJNBVDEQEG-MRXNPFEDSA-N 320.393 0.901 0 50 DCAA CN1CCC[C@H](Nc2cncc(C(=O)N3CCOCC3)n2)C1 823771497 WRJQHUXMLLUWJK-LBPRGKRZSA-N 305.382 0.455 0 50 DCAA CCS(=O)(=O)NC[C@H](C)N1CCC2(CCC(=O)N2)CC1 823412676 CRUXUCCZEDVFKE-NSHDSACASA-N 303.428 0.059 0 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170613385 WBCUTVZJNKIQFZ-NEPJUHHUSA-N 315.395 0.490 0 50 DCAA O=C(Cc1cccs1)N1CCC[C@@H](N2CCNCC2=O)C1 186666409 CHGIFYFUCOIFOT-GFCCVEGCSA-N 307.419 0.713 0 50 DCAA CC[C@@H]1C[C@H]1CNC(=O)N1CC[C@H](n2cc(C(N)=O)nn2)C1 644507440 ZSZINONJSWYLCD-VWYCJHECSA-N 306.370 0.380 0 50 DCAA NS(=O)(=O)CC1CCN(C(=O)N[C@H]2C=CCCC2)CC1 192519780 XGASIYHAWDGCFE-LBPRGKRZSA-N 301.412 0.805 0 50 DCAA O=S(=O)(c1ccccc1O)N1CCN(Cc2cocn2)CC1 1615614736 QVPHEVPFZSLCSR-UHFFFAOYSA-N 323.374 0.887 0 50 DCAA Cc1cc(C(=O)O)nc(NCCCN2CCC[C@H](C(N)=O)C2)n1 1506419501 DCFGKELFWSQFHG-NSHDSACASA-N 321.381 0.483 0 50 DCAA O=C(O)[C@@H]1COCCN(C(=O)c2nnc3n2CCCCC3)C1 1772806803 FMNFIVIZIOAQOU-JTQLQIEISA-N 308.338 0.178 0 50 DCAA CCN1C(=O)C[C@H](N2CCN(c3cccc(OC)c3)CC2)C1=O 18181742 YKACTZMSSLXTAJ-HNNXBMFYSA-N 317.389 0.965 0 50 DCAA CC(=O)C[C@]1(O)C(=O)N(CN2CCOCC2)c2ccccc21 19228803 DLOKZIXFOSXYHC-MRXNPFEDSA-N 304.346 0.490 0 50 DCAA CN(C)C(=O)c1ccc(N2CC[C@]3(CN(C)C(=O)O3)C2)nn1 1857666457 YXCRQJGCRNRLAN-AWEZNQCLSA-N 305.338 0.209 0 50 DCAA CN(C[C@@H]1CC(=O)N(C2CCCC2)C1)c1nc(C(=O)O)nn1C 1857674702 UNMFAMOIWVSDBK-JTQLQIEISA-N 321.381 0.741 0 50 DCAA O=C(N[C@H]1CO[C@@H]2[C@@H](O)CO[C@H]12)c1ccc2ncccc2c1 1875251005 PPTLDCNSYWCJSR-BYNSBNAKSA-N 300.314 0.492 0 50 DCAA COCCN1CN(C(=O)c2cc(C(C)(C)C)nn2C)CC1=O 328697849 UTZYDYOCKCDYMH-UHFFFAOYSA-N 308.382 0.606 0 50 DCAA CNC(=O)C[C@@]1(O)CCCN(C(=O)c2cc(Cl)cn2C)C1 644033516 VDXQPPUALAECTB-AWEZNQCLSA-N 313.785 0.782 0 50 DCAA C[C@H]1CN(C(=O)[C@@H](C)S(=O)(=O)c2ccc(F)cc2)CCN1 237619767 ZMFRRAJENAZYGT-WDEREUQCSA-N 314.382 0.808 0 50 DCAA Cc1cccc(-n2cc(C(=O)N3CCO[C@H](C(=O)O)C3)nn2)c1 262902286 BPASJKGICRIJEC-ZDUSSCGKSA-N 316.317 0.501 0 50 DCAA Cc1cccc2c1CC[C@@H]2NS(=O)(=O)CCn1cnnn1 1875289667 HVXLJHZCSNUAMA-ZDUSSCGKSA-N 307.379 0.588 0 50 DCAA O=C(CCN1CCCc2ccccc21)NCc1nc(=O)o[nH]1 1875293054 ATNVUPCOFYJZQR-UHFFFAOYSA-N 302.334 0.822 0 50 DCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCCCc3ncn(C)n3)n[nH]c21 1875395019 GURHXAFWUOHAOV-ZJUUUORDSA-N 318.381 0.923 0 50 DCAA CC(C)[C@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1ccnc(O)c1)C2 888095194 RPAXPQMJVWJMFT-GKLJAUDBSA-N 319.405 0.997 0 50 DCAA Cc1cc(C)c(C(=O)NCc2nc([C@H]3COCCN3C)n[nH]2)[nH]1 888094850 FPANHJLVCJXHBL-LLVKDONJSA-N 318.381 0.683 0 50 DCAA CO[C@@H]1C[C@@H](COc2cccnc2)N(Cc2cnnn2C)C1 1775957513 YPAGIOCZZHEJHR-SWLSCSKDSA-N 303.366 0.878 0 50 DCAA Cc1nn(C)c2c1[C@H](NC(=O)CCc1nc(O)n[nH]1)CCC2 2100477216 QJAIAJLLQNROML-SECBINFHSA-N 304.354 0.679 0 50 DCAA CN(C)S(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1 556208 VAEZXBOKUMXNRO-UHFFFAOYSA-N 300.336 0.740 0 50 DCAA CC[C@H]1CN(Cc2nnc3n2CCOC3)CCN1CC(F)F 225495027 PAKIHJJFMFBMJV-NSHDSACASA-N 315.368 0.970 0 50 DCAA CCCN(Cc1ccco1)C(=O)Cc1c(C)[nH]c(=O)[nH]c1=O 20536513 FLGIFYAVAYXIJX-UHFFFAOYSA-N 305.334 0.946 0 50 DCAA O=C(NCC[C@H]1CCCN1)NCC(=O)N1Cc2ccccc2C1 418115276 OBARRWWTOAODDJ-OAHLLOKOSA-N 316.405 0.970 0 50 DCAA NC(=O)[C@]1(O)CCCN(c2ccnc(Cc3ccccc3)n2)C1 344332325 WFTDKFFGWDYSDZ-KRWDZBQOSA-N 312.373 0.884 0 50 DCAA NC(=O)C(=O)N1CCOc2c(O)cc(-c3cccnc3)cc2C1 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316.345 0.579 0 50 DCAA C=CC(=O)N1CCN([C@@H]2CCCN(C3CCOCC3)C2=O)CC1 328596926 BNUAEYRCFZGPNC-OAHLLOKOSA-N 321.421 0.487 0 50 DCAA Cn1cnnc1[C@H]1CN(C(=O)COc2ccccc2F)CCO1 328619747 GEDLEGMKOQJHKF-CYBMUJFWSA-N 320.324 0.933 0 50 DCAA CC(C)n1nnnc1CN1CCC[C@@H]1c1nc(C(N)=O)no1 328621407 AKGVJPLVEKMHME-MRVPVSSYSA-N 306.330 0.073 0 50 DCAA CN1CCN(C(=O)c2ccc3nn[nH]c3c2)C[C@H]1c1ncc[nH]1 328616807 CBRXLJMRMLMTJD-ZDUSSCGKSA-N 311.349 0.810 0 50 DCAA C[C@H]1CCS(=O)(=O)CCN1S(=O)(=O)c1cccnc1 330342306 ASRFXTDKAIRTAC-JTQLQIEISA-N 304.393 0.279 0 50 DCAA Cc1nn2cc(CNC(=O)c3[nH]nc(N)c3Cl)nc2s1 215907038 IDVALALSMQAIII-UHFFFAOYSA-N 311.758 0.988 0 50 DCAA O=C([C@H]1COCCN1C1CCCC1)N1CCn2cnnc2C1 373539885 ZLBKFMMIDVEIAZ-CYBMUJFWSA-N 305.382 0.264 0 50 DCAA CSc1ncc(CNC(=O)[C@@H]2NCCc3[nH]cnc32)n1C 72439900 HPQZVBCAMUXGQP-LLVKDONJSA-N 306.395 0.368 0 50 DCAA CN(C)C(=O)CN1CCC(NC(=O)C23CCCN2CCC3)CC1 377939756 NUPXALWIDXBZQC-UHFFFAOYSA-N 322.453 0.284 0 50 DCAA CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CC(OC(F)F)C2)C1 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CCS(=O)(=O)CC(=O)N1CCC[C@]2(CCCN(C)C2)C1 584898983 VYKXXIHGDJPOBX-AWEZNQCLSA-N 302.440 0.756 0 50 DCAA COCCN1CC[C@@H](CN(C)S(=O)(=O)N2CCCC2)C1 824412483 XJJBNFJOFRMAQJ-ZDUSSCGKSA-N 305.444 0.227 0 50 DCAA CN1CCN(CC(=O)N2CCC[C@H](CN3CCCC3=O)C2)C1=O 584892229 DZZIPCBUVQOKGD-CYBMUJFWSA-N 322.409 0.215 0 50 DCAA CN(C)c1cncc(C[C@@H]2CC[C@H](CN3CCOCC3)O2)n1 952853163 ZEZYDAYIANYZLM-LSDHHAIUSA-N 306.410 0.965 0 50 DCAA O=C(N[C@H]1CCOC[C@@H]1OCCO)c1n[nH]c2ccccc12 1565512094 MCLXGZLNYQHZCC-STQMWFEESA-N 305.334 0.459 0 50 DCAA CS(=O)(=O)N1CCC[C@H](NC(=O)c2ccc3nc[nH]c3n2)C1 273329822 SDFUILDHTLVRNP-VIFPVBQESA-N 323.378 0.112 0 50 DCAA Cc1oncc1CSc1nc2c([nH]1)c(=O)n(C)c(=O)n2C 170602839 BZQJAVWKWLARKL-UHFFFAOYSA-N 307.335 0.549 0 50 DCAA C[C@H]1CN(CCNC(=O)Cc2cnn3c2CCCC3)[C@@H](C)CO1 633616942 IYPHVWDMWDVXLA-KBPBESRZSA-N 320.437 0.987 0 50 DCAA NC(=O)C[C@@]1(O)CCCN(C(=O)Cc2ccc3c(c2)CCO3)C1 643995440 HTGPNCQWSYWUCP-KRWDZBQOSA-N 318.373 0.393 0 50 DCAA CCOc1ccccc1N1CCN(C(=O)[C@H]2CNC(=O)C2)CC1 194857550 JSEIPQZJFQVABN-CYBMUJFWSA-N 317.389 0.870 0 50 DCAA Cc1oc(S(C)(=O)=O)cc1C(=O)N1C[C@H](N)C2(CCC2)C1 1615553111 GHDQCIQNTSJPOO-NSHDSACASA-N 312.391 0.945 0 50 DCAA O=C(c1ccc(CO)cc1)N1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704335736 RBVGMWXMUZZNHU-GASCZTMLSA-N 305.286 0.180 0 50 DCAA CCOc1ncccc1C(=O)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857718218 DGTTZVUHUYFYCM-WBMJQRKESA-N 317.345 0.654 0 50 DCAA O=C(O)[C@@H]1CC[C@@H](C(=O)N2CCOCC(F)(F)C2)N1C1CC1 630668338 DULHDDYLXGNGJW-QWRGUYRKSA-N 318.320 0.561 0 50 DCAA Cc1cccc(C[C@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C(=O)O)c1 237150564 QMKLDSWKHNKLSU-ZIAGYGMSSA-N 318.373 0.833 0 50 DCAA Cc1nc2sccc2c(=O)n1NC(=O)[C@@H]1CN(C)C[C@H](C)O1 901576068 VPXGAKJZJZHIMR-KWQFWETISA-N 322.390 0.556 0 50 DCAA COc1nn(C)cc1C(=O)NCc1cnn(-c2ccccc2)n1 1875313040 MCVWIBSDXQQEOI-UHFFFAOYSA-N 312.333 0.939 0 50 DCAA Cc1cnc(C(=O)NC[C@@H]2OCCN(C)[C@H]2c2ccnn2C)o1 888078763 XBCBIEQJFAIYTG-STQMWFEESA-N 319.365 0.518 0 50 DCAA COc1nn(C)cc1NC(=O)CN1CCCC[C@@H](OC)C1=O 888076266 RELGMSNPTUFXED-LLVKDONJSA-N 310.354 0.395 0 50 DCAA COc1ccc(CCNC(=O)[C@H]2CCCNC2=O)cc1OC 192352 FUKPEBXJUWRWPV-LBPRGKRZSA-N 306.362 0.889 0 50 DCAA O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1cccnc1 531039 YURVGKFOOKWUIH-UHFFFAOYSA-N 317.326 0.865 0 50 DCAA O=C1NCCNC12CCN(Cc1ccc(-c3ccn[nH]3)o1)CC2 67982635 VNSFFFAWHWZHAP-UHFFFAOYSA-N 315.377 0.724 0 50 DCAA CN(c1cccnn1)C1CCN(C[C@@H](O)Cn2cccn2)CC1 171628875 MUBBFCFYVHHBPO-OAHLLOKOSA-N 316.409 0.635 0 50 DCAA NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)NCC(F)(F)F 229316602 OUNLBXISZQNYNT-UTLUCORTSA-N 307.316 0.783 0 50 DCAA O[C@H](COCc1ccco1)CN1CCO[C@@H](Cn2cccn2)C1 229554948 HJWSRRACEWBEPS-GOEBONIOSA-N 321.377 0.755 0 50 DCAA Cc1cc(CNC(=O)c2ccc3c(=O)n(C)cnc3c2)n(C)n1 216271698 YARWOKFCFNDZLU-UHFFFAOYSA-N 311.345 0.905 0 50 DCAA CCOCc1nc2c(c(NC[C@H]3COCCO3)n1)CCNCC2 72463691 OYWLVTVANWRBOI-LBPRGKRZSA-N 322.409 0.529 0 50 DCAA COC(=O)c1nnn(CC(=O)c2ccccc2)c1C(=O)OC 73165978 UXIKHYQVKAZWBQ-UHFFFAOYSA-N 303.274 0.734 0 50 DCAA Cc1noc(C)c1CCCNC(=O)[C@@H]1NCCc2[nH]cnc21 72427812 YDRAZMGGNCIZKM-CQSZACIVSA-N 303.366 0.950 0 50 DCAA O=C(O)[C@@H]1CCCN1C(=O)[C@H]1CN(Cc2ccccc2)CCO1 238076547 QXPMJPPLAQZIFC-LSDHHAIUSA-N 318.373 0.963 0 50 DCAA N[C@@H]1CCN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)C1 132318504 ALFQCLLXZKSBOT-DOMZBBRYSA-N 307.369 0.759 0 50 DCAA CCS(=O)(=O)N(CC(=O)OC)c1ccc2c(c1)OCCO2 226088702 UJTNCMQURUWXFF-UHFFFAOYSA-N 315.347 0.787 0 50 DCAA Cn1c(SCCS(C)(=O)=O)nnc1[C@@H]1CCCNC1 426621570 GTSRZKFWUVCCJY-SECBINFHSA-N 304.441 0.419 0 50 DCAA CN(C)C(=O)N1CCC[C@H](c2nnc(Cn3ccnc3)n2C)C1 95353396 DCUUWWYJBZNDOI-LBPRGKRZSA-N 317.397 0.921 0 50 DCAA CC(C)N1CC[C@@H](N2CCC([C@H](O)C(=O)NC3CC3)CC2)C1=O 299745248 XDDLEKPABBBEDL-CABCVRRESA-N 323.437 0.347 0 50 DCAA Cc1ccc(C(=O)NCC2CCN(S(C)(=O)=O)CC2)n1C 299705773 SCOFRSCYHRBVGQ-UHFFFAOYSA-N 313.423 0.735 0 50 DCAA COc1ccccc1-n1cc(CNS(=O)(=O)N(C)C)cn1 824835200 STZHWJCYXIHHQA-UHFFFAOYSA-N 310.379 0.777 0 50 DCAA CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)S(=O)(=O)c1cn[nH]c1 670430016 DMELYYMUJVZCNT-SNVBAGLBSA-N 314.411 0.677 0 50 DCAA Cc1nc(CN2CC(N3C[C@@H](C(=O)N(C)C)CC3=O)C2)[nH]c1C 685941171 UIDLIIHOXNDPBU-LBPRGKRZSA-N 319.409 0.147 0 50 DCAA CCNC(=O)CN1CCN(C(=O)N2CCC(F)(F)CC2)CC1 1423605148 QQQIOJIVOJDMMB-UHFFFAOYSA-N 318.368 0.591 0 50 DCAA CO[C@H](Cc1ccccc1)CN1C[C@@H](O)[C@H](n2ccnn2)C1 639356772 GWZMANXRPKDMIM-BZUAXINKSA-N 302.378 0.753 0 50 DCAA O=C(Cn1cn[nH]c1=O)N1CC[C@@]2(C1)OCc1ccccc12 189167102 FJGXRXQREUGAMB-HNNXBMFYSA-N 300.318 0.229 0 50 DCAA CC(=O)NCCNC(=O)N1CCN(c2cc(C3CC3)n[nH]2)CC1 189950229 KVGQWRXXFTZSIO-UHFFFAOYSA-N 320.397 0.255 0 50 DCAA CNC(=O)C[C@]1(O)CCCN(Cc2ncnn2C(C)(C)C)C1 643818192 JCRICWMUCNARIC-OAHLLOKOSA-N 309.414 0.496 0 50 DCAA CN1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 585121116 GLBREAZSHWFBRJ-CPUCHLNUSA-N 323.437 0.206 0 50 DCAA CCSc1ncc(CN(C)[C@H]2CS(=O)(=O)C[C@@H]2O)cn1 210071138 OWAOQCWLCWXPKT-QWRGUYRKSA-N 317.436 0.178 0 50 DCAA O=C1CO[C@H](C(=O)N2CCC(O)CC2)[C@@H](c2ccccc2)N1 1529134137 XYOGCRWHVANKBJ-CABCVRRESA-N 304.346 0.226 0 50 DCAA CCc1cnc(N)nc1N1CCC(C(=O)N[C@H](C)COC)CC1 1772706229 IHRQECKYQKRBSQ-LLVKDONJSA-N 321.425 0.989 0 50 DCAA Cn1c(=O)[nH]c(=O)c2c1nc1n2CCCN1Cc1ccco1 5453327 HVAGUUWVWIVBKL-UHFFFAOYSA-N 301.306 0.427 0 50 DCAA Cc1ccn2c(C(=O)N3CC[C@H](CO)[C@H](O)C3)c(C)nc2c1 1857711940 JJVNJDOCGMDZKZ-CHWSQXEVSA-N 303.362 0.766 0 50 DCAA COc1cc(C(=O)N2CC[C@@]34OCCCN3C(=O)C[C@@H]24)ccn1 1857734403 RQVQBUKPPOZORY-WBMJQRKESA-N 317.345 0.654 0 50 DCAA O=C(NCCN1CCCS1(=O)=O)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 225434045 GKYCSBNBDJGZJN-NNYUYHANSA-N 313.423 0.366 0 50 DCAA CC1(C)CN(C(=O)CCc2nc[nH]n2)C[C@]2(CCCOC2)O1 366432985 RHGVQUWSGPNTHB-HNNXBMFYSA-N 308.382 0.924 0 50 DCAA CC1(C)CNC(=O)[C@H]1NS(=O)(=O)c1cccc2c1OCCC2 585094211 QUUJLFLHEVKQRJ-CYBMUJFWSA-N 324.402 0.815 0 50 DCAA COC[C@H]1COCCN1Cn1ncn(-c2ccccc2)c1=O 902562318 WGFGBPOXKOGRJG-AWEZNQCLSA-N 304.350 0.339 0 50 DCAA COc1nccc(C(=O)N[C@@]2(CO)CCOc3ccccc32)n1 902930882 HYBMVWYDCNPRDL-MRXNPFEDSA-N 315.329 0.885 0 50 DCAA O=C(c1ccn(-c2ccc(F)cc2)n1)N1CC[C@@](O)(C(=O)O)C1 910532086 WBIUCPTYFMZVPD-HNNXBMFYSA-N 319.292 0.673 0 50 DCAA CN1CCn2nc(NC(=O)c3cn(C4CCC4)nn3)cc2C1 829391833 XHHASGFIFHIIHL-UHFFFAOYSA-N 301.354 0.897 0 50 DCAA Cn1nc(O)c2c1CN(CC(=O)NCc1cccnc1)CC2 931200230 MHOSVOVZBLBGNN-UHFFFAOYSA-N 301.350 0.195 0 50 DCAA Cc1nc(N2CCN(Cc3nnc4n3CCCCC4)CC2)n[nH]1 931630801 WTODKSYJMSGKSW-UHFFFAOYSA-N 316.413 0.753 0 50 DCAA Cc1cc(O)nc(N2CCN(C[C@@H]3CCC4(COC4)O3)CC2)n1 931747644 ULSZFFIPHWFXCZ-ZDUSSCGKSA-N 320.393 0.561 0 50 DCAA O=C(Cc1cnn(Cc2ccccc2)c1)N1CCCn2nnnc21 1875276161 XTDKZMMJHRAIJD-UHFFFAOYSA-N 323.360 0.897 0 50 DCAA COc1cccc2c1O[C@@H](C(=O)Nn1ccc(O)nc1=O)C2 1875357672 QOZDMVBNCGKNSX-SNVBAGLBSA-N 303.274 0.031 0 50 DCAA N=c1[nH]c2c(s1)CCC[C@@H]2C(=O)N1CCOC[C@H]1C(=O)O 1875346115 TUZATISQZYMZNR-YUMQZZPRSA-N 311.363 0.288 0 50 DCAA COc1nc(C)nc(N2CC[C@@H]3OCCN(C(C)=O)[C@@H]3C2)c1C 886038283 PXCYRGVVSNBART-KGLIPLIRSA-N 320.393 0.928 0 50 DCAA COCc1ccc([C@H]2COCCN2c2nccn3nnnc23)o1 895754560 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0 50 DCAA C[C@H]1CN(C(=O)c2ccnc(N3CCN(C)CC3)c2)C[C@@H](C)N1 154114233 FJNKUIINQUODGD-OKILXGFUSA-N 317.437 0.656 0 50 DCAA C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1C(=O)CN1CCOCC1=O 331950891 QXYWYGOVZRQCOE-ZQIUZPCESA-N 324.421 0.777 0 50 DCAA Cc1ccc(F)cc1S(=O)(=O)N[C@@H]1[C@@H](N)[C@H]2CCO[C@H]21 219297745 AOYMUJIIRIDALF-GWNIPJSYSA-N 300.355 0.527 0 50 DCAA O=C(CN1CCC[C@H]1C(=O)O)NCCOc1ccc(F)cc1 262668607 QPPXMRGAYRNUMQ-ZDUSSCGKSA-N 310.325 0.870 0 50 DCAA O=C(NCCO)c1cc(N2CCC(N3CCCC3)CC2)ccn1 72121115 NLYMNKNRWYAWRJ-UHFFFAOYSA-N 318.421 0.868 0 50 DCAA CCNC(=O)[C@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 71754898 NXMCKALXXZKJFK-JTQLQIEISA-N 300.380 0.986 0 50 DCAA Cc1cc(C)n(CC(=O)N2CCO[C@H](C(F)(F)F)C2)c(=O)n1 71768067 IYQQAJDKLZWHDR-JTQLQIEISA-N 319.283 0.650 0 50 DCAA Cc1ncc2c(c1CNC(=O)[C@@H](NC(N)=O)C(C)C)CCNC2 72157713 OYNLOVJJUZMAIT-AWEZNQCLSA-N 319.409 0.345 0 50 DCAA O=C(N[C@@H]1COCC[C@H]1OCc1ccccn1)c1ncn[nH]1 223965526 VQFVPEDOUZIVIK-VXGBXAGGSA-N 303.322 0.304 0 50 DCAA Cc1n[nH]cc1CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O 285226785 PPSNPAHPKOKZQQ-BFHYXJOUSA-N 308.382 0.790 0 50 DCAA CCn1c(CN2CCCC2)nnc1C1CCN(C(=O)CO)CC1 82096759 KWJSCIAAHBEESB-UHFFFAOYSA-N 321.425 0.592 0 50 DCAA COc1cccc(OC)c1CNC(=O)NC[C@]1(O)CCCNC1 426677901 XRRGQIYPISQFDY-INIZCTEOSA-N 323.393 0.618 0 50 DCAA O=C(CC[C@H]1NC(=O)NC1=O)NCCOCc1ccccc1 91754590 XMWDYLVWMLWLQF-GFCCVEGCSA-N 305.334 0.308 0 50 DCAA Cc1nccn1Cc1nnc([C@H]2CCCN(CCCO)C2)n1C 95364313 KIFIVRSENALJOK-AWEZNQCLSA-N 318.425 0.930 0 50 DCAA N[C@@H]1[C@H]2CC[C@@H]1CN(Cc1cc(=O)n3cccc(O)c3n1)C2 244900266 ZYUWJEXGBFKTJF-HBYGRHMLSA-N 300.362 0.569 0 50 DCAA CN(CC(=O)Nc1cccc(C(=O)O)c1)C[C@H]1COCCO1 243914740 BKENJQREXFQZJN-ZDUSSCGKSA-N 308.334 0.671 0 50 DCAA C[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H](O)CN2)C(=O)N1c1ccccc1 299750219 MXLNWUSGAIZWBY-CABNGKKXSA-N 303.362 0.019 0 50 DCAA CC[C@@H](C)[C@@H](CO)NC(=O)[C@H](c1ccccc1)n1cnnn1 253401811 FWCSRZFMNNWAEL-BNOWGMLFSA-N 303.366 0.786 0 50 DCAA CCc1oc(C(N)=O)cc1CN1CCC2(CC1)CNCCO2 534653679 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CC(C)Cc1cc(C(=O)N2CCS(=O)(=O)CC2)nc(N)n1 952870345 XDTXMYQCBBMLBA-UHFFFAOYSA-N 312.395 0.128 0 50 DCAA COc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3C)c(OC)n1 75949668 QIMGSICHGNQNSI-MNOVXSKESA-N 319.361 0.792 0 50 DCAA Cn1nc2c(c1CNC(=O)[C@H]1CN3CCCN1CC3)CCCC2 408236622 JQDPVUYUWSGCKQ-MRXNPFEDSA-N 317.437 0.305 0 50 DCAA COC(=O)[C@@H]1CC[C@@H](C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)O1 170604936 FTNZRNFXYJVXMQ-AVGNSLFASA-N 323.349 0.721 0 50 DCAA OC[C@]1(CNc2ncnc3c2CCC3)COC[C@@H]2CCCN21 1775291543 DGBFWUHVCGJWPT-BLLLJJGKSA-N 304.394 0.603 0 50 DCAA O[C@]1(Cn2ccnn2)CCN(Cc2cccc3c2OCO3)C1 671492465 GFVFXMQKHMEOKD-OAHLLOKOSA-N 302.334 0.644 0 50 DCAA O=C(NCc1nnnn1C1CC1)N1CCO[C@H]([C@H]2CCCO2)C1 674925937 HFDUQMJRONIKOD-NEPJUHHUSA-N 322.369 0.097 0 50 DCAA C=CC(=O)N(C)CC(=O)NC[C@]1(c2ccccc2)C[C@H](O)C1 928125199 QFMGYZSEMKOHNZ-CZIWCDLHSA-N 302.374 0.840 0 50 DCAA Cc1nc(-c2nccn2CCSc2nnnn2C)cn1C 1857722077 DJXNJKVGFTXZOL-UHFFFAOYSA-N 304.383 0.908 0 50 DCAA COc1ccc(CNC(=O)N2CCN(C3CC3)C(=O)C2)cc1O 673972669 KPWIRSGNYVBVCA-UHFFFAOYSA-N 319.361 0.917 0 50 DCAA C[C@@H]1CCOCCN1C(=O)c1cn(Cc2ccccn2)nn1 367741833 VTYGLPVVMAZHCE-GFCCVEGCSA-N 301.350 0.972 0 50 DCAA Cn1ccnc1[C@@H]1CNCCN1C(=O)c1cccc(C(N)=O)c1 261824953 YHTQGVKMLUNNTH-ZDUSSCGKSA-N 313.361 0.306 0 50 DCAA CNS(=O)(=O)[C@H]1CCN(C(=O)c2ccccc2OC2CC2)C1 376952095 JZSAPOWTWCJEGU-LBPRGKRZSA-N 324.402 0.992 0 50 DCAA CCCc1cc(=O)n2[nH]c(=NC(=O)c3cc(C)on3)[nH]c2n1 588744075 DXFWELWFGJOFAQ-UHFFFAOYSA-N 302.294 0.341 0 50 DCAA COC(=O)[C@@]1(CNC(=O)CC(C)(C)C)C[C@@H]1S(C)(=O)=O 914132600 RYTJCYXGZSFGMX-TVQRCGJNSA-N 305.396 0.515 0 50 DCAA O=C(O)[C@H]1c2ccccc2OCCN1C(=O)CCn1ccnn1 911055255 AXELQSXKDUXCJM-CQSZACIVSA-N 316.317 0.715 0 50 DCAA CCc1cc(CC(=O)N2CCC(n3ccnn3)CC2)n(C)n1 935010890 YZTQJHPXSCHLRP-UHFFFAOYSA-N 302.382 0.980 0 50 DCAA O=S(=O)(c1ccc(F)c(F)c1F)N1CC(NC2COC2)C1 1875279127 NWIWXOUWKWAEGF-UHFFFAOYSA-N 322.308 0.465 0 50 DCAA COC[C@@H]1CN=C(N2CCN(c3ccncc3Cl)CC2)N1 1875356846 VNMAQFHXFYEFTN-NSHDSACASA-N 309.801 0.831 0 50 DCAA Cc1nn(CC(=O)N[C@@H]2CCC[C@]34OCC[C@@H]3C[C@@H]24)c(=O)o1 1875396311 BLTVPLMJCSWVCP-ZAZJYDDPSA-N 307.350 0.609 0 50 DCAA O=C1CC[C@H](C(=O)N2CC(N3CCCC3=O)C2)n2cccc21 888753326 MPLJRKYDMQCTNB-CYBMUJFWSA-N 301.346 0.839 0 50 DCAA Cc1cccc(S(=O)(=O)N2C[C@@H](N)[C@H](c3cn(C)cn3)C2)c1 1775962099 SHOFBGGRMQXVPY-ZIAGYGMSSA-N 320.418 0.844 0 50 DCAA CC(C)CC[C@@]1(C(=O)O)CN(c2cc[nH]c(=N)n2)CC[C@@H]1O 2100483693 LJCKTCJCKSIIDY-XHDPSFHLSA-N 308.382 0.967 0 50 DCAA CCc1nc(O)ccc1C(=O)NC[C@H]1Cc2nnc(C)n2C1 2356135069 OQKRLPNJSKJSAL-SNVBAGLBSA-N 301.350 0.852 0 50 DCAA CCOC(=O)CC(CC(=O)OCC)(OC(C)=O)C(=O)OCC 3875492 WEAPVABOECTMGR-UHFFFAOYSA-N 318.322 0.758 0 50 DCAA biogenic,in-man CC(C)Cc1cc(C(=O)N2CCNC(=O)[C@H]2C(C)C)nc(N)n1 67833349 FPXVWWIEZWVJTL-CYBMUJFWSA-N 319.409 0.854 0 50 DCAA CCn1nc(C(C)C)cc1C(=O)N1CCN(C)[C@H](C(=O)O)C1 67676164 PNSHXWUOQHEYMW-ZDUSSCGKSA-N 308.382 0.867 0 50 DCAA CCCn1nc(C(=O)O)c2c1CC[C@H](N1CCN(C)C(=O)C1)C2 67785405 VQDVRJMJASPQLK-NSHDSACASA-N 320.393 0.623 0 50 DCAA CC(C)(C)NC[C@H](O)COc1cccc2c1C[C@@H](O)[C@H](O)C2 3831166 VWPOSFSPZNDTMJ-NWANDNLSSA-N 309.406 0.635 0 50 DCAA biogenic,in-vitro C[C@@H](O)C1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 119718956 PJSKLGMRYROKOG-GFCCVEGCSA-N 309.410 0.944 0 50 DCAA CC(=O)N(C[C@@H]1CCCN1CCCN1C(=O)CN=C1O)C1CC1 328630528 JLIBRMMRMFSUDB-AWEZNQCLSA-N 322.409 0.608 0 50 DCAA O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC[C@H]1CCCCN1 238023525 GOVMAHLGLGKQRC-GFCCVEGCSA-N 322.409 0.499 0 50 DCAA C[C@H]1CN(C(=O)c2cccc3c2OCO3)CCS(=O)(=O)C1 369011927 VMDSZXOHKKQZQR-JTQLQIEISA-N 311.359 0.922 0 50 DCAA C[C@H]1CO[C@H](C)CN1S(=O)(=O)N1CCC[C@H]([C@@H](C)N)C1 237326614 UHBFIAOGMBSBKO-LOWDOPEQSA-N 305.444 0.400 0 50 DCAA CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NC[C@@](C)(O)C(=O)O)C1 262442651 UUWWTFIQZZBOAK-MEBBXXQBSA-N 314.382 0.223 0 50 DCAA Cc1cc(N2CCN(C(=O)[C@H]3CCC[C@@H]3N)CC2)nc(C)n1 237788297 PBOCPZAYCQEYAY-KBPBESRZSA-N 303.410 0.869 0 50 DCAA CC(=O)c1ccc(C(=O)NCCSc2nnnn2C)s1 222362729 MGYMAQPVFMZLDF-UHFFFAOYSA-N 311.392 0.996 0 50 DCAA COc1ncccc1C(=O)N1CCC[C@](O)(Cn2ccnn2)C1 284824515 JULRSSXKDWIIEW-OAHLLOKOSA-N 317.349 0.349 0 50 DCAA C[C@H](CCC(=O)N(C)Cc1cnn(C)c1)N1CCN(C)CC1 221441518 SNPLKBPITGJMEM-CQSZACIVSA-N 307.442 0.795 0 50 DCAA Cc1ccn2c(C(=O)NCCc3nc(O)n[nH]3)c(C)nc2c1 426518885 ZXYLNCBGROPAJY-UHFFFAOYSA-N 300.322 0.747 0 50 DCAA CS(=O)(=O)Nc1cccc(NC(=O)c2c[nH]c(C(N)=O)c2)c1 613520674 XBPRYIXVPSREHN-UHFFFAOYSA-N 322.346 0.737 0 50 DCAA CC(C)N1CCC(C(=O)N(CCO)Cc2nccn2C)CC1 95367545 BVUGEXIBDRQFJY-UHFFFAOYSA-N 308.426 0.861 0 50 DCAA NCC[C@H]1CN(C(=O)Cn2sc3ccccc3c2=O)CCO1 95497948 WDHJCIGYRONSBY-NSHDSACASA-N 321.402 0.639 0 50 DCAA COCC[C@@]1(CO)CCCN(C(=O)CCS(C)(=O)=O)C1 91289211 MYUOETBWQPLAJW-ZDUSSCGKSA-N 307.412 0.059 0 50 DCAA COc1ccc(C(=O)N2CCN([C@H]3CCNC3)CC2)c(OC)n1 244874996 XKWLHOLAJOKLHG-LBPRGKRZSA-N 320.393 0.219 0 50 DCAA CNS(=O)(=O)C[C@H]1CCCN(C(=O)NC[C@@H]2CCCO2)C1 624338715 BHLDLMYEBVSUIZ-RYUDHWBXSA-N 319.427 0.136 0 50 DCAA CSc1cccc(N2C[C@H](C(=O)Nc3nn[nH]n3)CC2=O)c1 253408995 LHKUKSKJSOVNOK-MRVPVSSYSA-N 318.362 0.913 0 50 DCAA CN(C[C@H]1COc2ccccc2O1)C(=O)NCCn1cncn1 263725854 BNNQFRLEKFVGSY-LBPRGKRZSA-N 317.349 0.760 0 50 DCAA CCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1cccc(OC)c1OC 299791550 DDIMBTQMYUKEHJ-OLZOCXBDSA-N 307.394 0.742 0 50 DCAA Cc1noc(C)c1CC(=O)N1CCc2c(c(CO)nn2C)C1 299797823 COEWMZOFFWOSQU-UHFFFAOYSA-N 304.350 0.645 0 50 DCAA COC[C@H]1CCCN1S(=O)(=O)NCc1csc(N)n1 824371010 LRZMQDQNMQYFBM-SECBINFHSA-N 306.413 0.171 0 50 DCAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H]1C[C@H]2OCC[C@@H]12 1074544777 XFRYNDPWANYFDH-CYZMBNFOSA-N 310.375 0.550 0 50 DCAA CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)c3cccc(F)c3)C2)C1 685942126 LGSCYDXKRJVTNH-LLVKDONJSA-N 319.336 0.245 0 50 DCAA CNCC(=O)N1C[C@H]2c3ccc(OC)cc3OC[C@@]2(C(=O)O)C1 1565530183 ZFUAXCSACLPYSF-LRDDRELGSA-N 320.345 0.304 0 50 DCAA CO[C@@](C)(C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)C1CC1 408236794 KDYHDYKVAQTKGF-GXFFZTMASA-N 304.412 0.294 0 50 DCAA NC(=O)CSCC(=O)N1CCN[C@H](Cc2ccccc2)C1 1470961132 OWSXHVORYJYRBJ-CYBMUJFWSA-N 307.419 0.248 0 50 DCAA Cc1n[nH]c(C)c1CN[C@@H]1CCCN(c2nccn(C)c2=O)C1 275359216 AULWQZOEHDIXSG-CYBMUJFWSA-N 316.409 0.879 0 50 DCAA COc1ccc(C(=O)N(CC2CC2)C[C@@H]2CN(C)CCO2)nn1 276383550 JINHANCLTQJBOK-ZDUSSCGKSA-N 320.393 0.668 0 50 DCAA COC[C@]1(C(N)=O)CCCN1C(=O)CCc1cnn(C)c1C 643940668 NLOOHKZVQMXZMV-HNNXBMFYSA-N 308.382 0.154 0 50 DCAA CC(=O)N1CCN(C(=O)[C@@H](C)Oc2cccc(CN)c2)CC1 584833842 SDVGRMWSEFNMLF-GFCCVEGCSA-N 305.378 0.603 0 50 DCAA CCn1c(N2CCN(C)C(=O)[C@H]2C)nc2cc(C(=O)O)cnc21 1529160004 ZEHZPTIDJSPSGD-SECBINFHSA-N 317.349 0.816 0 50 DCAA COCCN(C)CC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1704352911 MJRMCTSOQRPRMP-HUUCEWRRSA-N 307.394 0.334 0 50 DCAA CCCCS(=O)(=O)N1CCCN(C(=O)[C@@H]2CCOC2)CC1 1775981980 FJJDAEMXCIWOEW-CYBMUJFWSA-N 318.439 0.687 0 50 DCAA O=C(CCc1ccccc1Cl)N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1875240344 AWNCTWDFYZFIQD-CTHBEMJXSA-N 311.765 0.916 0 50 DCAA O=C(Cc1ccc(CO)cc1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1875248007 UBJFXSFGOOQOAY-PBHICJAKSA-N 316.357 0.281 0 50 DCAA CO[C@@H]1[C@H]2C[C@@H]3CN(S(=O)(=O)[C@@H]4CCO[C@H]4C)[C@H]1[C@H]3C2 329082390 SENCLJYPXBNPQQ-HIBBMNFLSA-N 301.408 0.849 0 50 DCAA Cn1ncc(C(=O)N2CCO[C@@H](C(=O)O)C2)c1-n1cccc1 237827991 QZPVIPQDGREFRR-LLVKDONJSA-N 304.306 0.136 0 50 DCAA CC(C)[C@@H](C(=O)NC[C@@H]1CCCS1(=O)=O)N1CCCC1=O 153338453 FRWFPROHBQSUJI-AAEUAGOBSA-N 316.423 0.327 0 50 DCAA Cc1nc(CN(C)[C@@H]2CCN(C(=O)c3ccc(O)nc3)C2)no1 371131749 CSBLYMWXFONGJP-GFCCVEGCSA-N 317.349 0.825 0 50 DCAA COc1ccc(C(=O)O)cc1CN1CC[C@H](C(=O)O)[C@H](O)C1 1704280221 WAUXGXJZKFOHED-NWDGAFQWSA-N 309.318 0.661 0 50 DCAA CCn1cc(CC(=O)N2CCOc3ccc(O)cc3C2)nn1 826138907 KKEHCCNEGJDSMU-UHFFFAOYSA-N 302.334 0.967 0 50 DCAA Cc1nc(C)c(C)c(N2C[C@H](n3ccnn3)[C@H](N(C)C)C2)n1 858757366 OFCTVQVEFPIVFS-KGLIPLIRSA-N 301.398 0.985 0 50 DCAA Cn1cnc([C@@H]2CN(Cc3cn(C(C)(C)C)nn3)C[C@H]2N)c1 864298067 LLTQKXDTSUZFTF-CHWSQXEVSA-N 303.414 0.693 0 50 DCAA COC(OC)C(=O)N1CCN(C(=O)OC[C@@H]2CCCO2)CC1 952877522 QKRVAWPVYFWIMA-NSHDSACASA-N 316.354 0.065 0 50 DCAA COCCN(CCOC)C1CN(C(=O)OC[C@H]2CCCO2)C1 952877360 OQTKLJIKWKEEDI-CQSZACIVSA-N 316.398 0.581 0 50 DCAA O=C1CCC2(CN(C(=O)C(=O)Nc3cccc(F)c3F)C2)N1 1875288872 HZUDGXVUHDVAGH-UHFFFAOYSA-N 309.272 0.394 0 50 DCAA O=C(O)C[C@H](NC(=O)[C@@H]1CCN(c2ccccc2)C1)C(=O)O 1875323297 DMFGPKDSCQZIAW-PWSUYJOCSA-N 306.318 0.557 0 50 DCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)NCCc3ncnn3C)n[nH]c21 1875394056 SWOOAONTXCGBIC-BDAKNGLRSA-N 304.354 0.533 0 50 DCAA COCC1(O)CN(C(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)C1 1875403963 NDMBQQNUDLJBHS-VHSXEESVSA-N 309.366 0.276 0 50 DCAA CO[C@@H]1CCCCN(CC(=O)Nc2cccn(C)c2=O)C1=O 886075242 GNIYBSCGNSFHIO-GFCCVEGCSA-N 307.350 0.351 0 50 DCAA Cc1cc(C(=O)N[C@@H]2C[C@]3(C[C@H]2O)CN(C)[C@H]3C(C)C)nn1C 888095003 PAECTDCBLPGDMQ-AIANPOQGSA-N 320.437 0.938 0 50 DCAA CO[C@H]1CCCCN(CC(=O)NCc2cn(C)nc2C)C1=O 888075934 BHZNLFQICAIYAH-ZDUSSCGKSA-N 308.382 0.372 0 50 DCAA COc1ncc(Br)c(N[C@@H]2CC[C@@H](O)[C@@H](O)C2)n1 896972312 YMHREOAUSWHSJS-VDAHYXPESA-N 318.171 0.934 0 50 DCAA COC(=O)c1ccc(CSc2nnc3n(N)cnn23)cc1 36438 SHJFFIWSXLTUCX-UHFFFAOYSA-N 304.335 0.719 0 50 DCAA O=C(CCC(=O)N1C[C@@H]2CNC(=O)[C@@H]2C1)c1ccc(F)cc1 2100542677 DLDIJAZOSXXFDM-WCQYABFASA-N 304.321 0.993 0 50 DCAA Cn1c(=O)c2c(nc(Sc3ccccc3N)n2C)n(C)c1=O 156726 WYFHNJFVSDEZBE-UHFFFAOYSA-N 317.374 0.704 0 50 DCAA biogenic CCCN1Cc2nnc(-c3nc[nH]c3C(=O)NC)n2[C@H](C)C1=O 2356138775 HYMGERFMLKRKSV-MRVPVSSYSA-N 317.353 0.341 0 50 DCAA CC(C)OC[C@H](O)CN[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 225671272 QYJAOJYZANTWEG-UPJWGTAASA-N 308.444 0.222 0 50 DCAA COc1nn(C)cc1C(=O)NCCc1nc2c(s1)COCC2 1364366125 OJXZFWBRSMTQPJ-UHFFFAOYSA-N 322.390 0.930 0 50 DCAA CCOc1cnc(C(=O)N[C@H](C)c2nnnn2C2CC2)cn1 252505117 VOPZECGGEMGSBJ-MRVPVSSYSA-N 303.326 0.688 0 50 DCAA CCN(CC)C(=O)[C@@H]1CCCN(C(=O)c2nc[nH]c2C(=O)O)C1 215332952 OIDVDMYRGCVONB-SNVBAGLBSA-N 322.365 0.829 0 50 DCAA Cc1cnc(C(=O)N2CCCO[C@H](CN3CCOCC3)C2)[nH]1 215824159 ZKHOJJDPDSBBMR-CYBMUJFWSA-N 308.382 0.281 0 50 DCAA CNS(=O)(=O)c1ccc(/C=C/C(=O)N2CC[C@H](CN)C2)cc1 328596376 LDECDEMSOLUYNY-WXJAXGNASA-N 323.418 0.415 0 50 DCAA C[C@@H]1CNCCN1C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 124643844 ROEOAXGZOSSNLV-QLJPJBMISA-N 316.361 0.175 0 50 DCAA Cc1cc(C(=O)NC[C@@H]2C[C@H](F)CN2CC(=N)O)nc(C)n1 328608635 ZZLADPQWWZSIMV-QWRGUYRKSA-N 309.345 0.771 0 50 DCAA O=C1NC[C@]2(CCCN(C(=O)CCn3ccccc3=O)CC2)O1 72156489 OXXCWZAABCYPIC-MRXNPFEDSA-N 319.361 0.730 0 50 DCAA Cc1cc(F)ccc1CC(=O)N1CCNC[C@@H]1C(=O)NC1CC1 72120894 OFMDLOCSTUKEGJ-OAHLLOKOSA-N 319.380 0.756 0 50 DCAA O[C@H](CN1CCc2c(nnn2-c2ccccc2)C1)Cn1cccn1 366614897 LYJDLOCPDYWKET-OAHLLOKOSA-N 324.388 0.883 0 50 DCAA O=C(COC[C@H]1CCCO1)NCc1nc(-c2cccnc2)no1 219343813 JFRQBFCLXQEWFY-GFCCVEGCSA-N 318.333 0.943 0 50 DCAA NC(=O)[C@]1(O)CCCN(C(=O)c2ccncc2C(F)(F)F)C1 285567343 PPJGPUWETIRINB-LBPRGKRZSA-N 317.267 0.553 0 50 DCAA COc1ncc(C(=O)N2CCN(C)C3(CCN(C)CC3)C2)cn1 426379960 VZYSDYDTAZPPTB-UHFFFAOYSA-N 319.409 0.337 0 50 DCAA CC(=O)N1CCCN(c2cc([C@H]3CCOC3)nc(N)n2)CC1 426477374 KYCOUCQRMNIJAO-LBPRGKRZSA-N 305.382 0.621 0 50 DCAA CSc1ncc(/C=C/C(=O)NCc2cc(=O)[nH]c(C)n2)cn1 82039634 YPBYEDXQJNJVQU-ONEGZZNKSA-N 317.374 0.920 0 50 DCAA Cc1ccc([C@@H](C(=O)NCc2noc(C(N)=O)n2)N(C)C)cc1 91289336 QWBKDWFXARWEDA-LBPRGKRZSA-N 317.349 0.396 0 50 DCAA CC(=O)N1CCN(C(=O)c2ccc3c(c2)CCC3)C[C@@H](O)C1 97655329 WHLKZDIEJUJAIA-INIZCTEOSA-N 302.374 0.841 0 50 DCAA COCC[C@]1(O)CCN(C(=O)Cn2ccccc2=O)C[C@H]1C 91665368 MUPQEIGTYJKEHK-CZUORRHYSA-N 308.378 0.484 0 50 DCAA CSCc1noc(CNC(=O)[C@H]2CCCN(C(C)=O)C2)n1 91986954 SAPDGNHSQHPVPC-JTQLQIEISA-N 312.395 0.807 0 50 DCAA CCn1c(CN(C)CCn2ccnc2)nnc1[C@H]1C[C@@H](N)C1 252536574 IWVSJZUKKYLFQR-BETUJISGSA-N 303.414 0.831 0 50 DCAA CC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(C(=O)O)cc1 299742256 AWKLWXYWEXJYLV-GFCCVEGCSA-N 308.359 0.922 0 50 DCAA NCC[C@H]1CN(S(=O)(=O)c2ccc3nc[nH]c3c2)CCO1 534588390 ZFPNGGTXMDTKFR-JTQLQIEISA-N 310.379 0.301 0 50 DCAA CCC(=O)NCc1cc2n(n1)CCN(Cc1cc(C)n[nH]1)C2 299793049 IECLOWBPKOFAEQ-UHFFFAOYSA-N 302.382 0.957 0 50 DCAA COc1ncc(C(=O)NCc2nc(-c3cnn(C)c3)no2)cn1 575616854 NQOVMNJJDUNZIV-UHFFFAOYSA-N 315.293 0.199 0 50 DCAA COCCN1CC[C@H](CN(C)S(=O)(=O)N2CCCCC2)C1 670469548 CPYJGWMVULOYCT-CQSZACIVSA-N 319.471 0.617 0 50 DCAA C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)Nc1c[nH]c(C(N)=O)c1 1362236323 ZDVXJJIWRVVNLT-PRHODGIISA-N 322.365 0.108 0 50 DCAA O=C1CCCCCN1CCC(=O)N1CCN2C(=O)OC[C@H]2C1 952974682 MVWLTWRORPRETF-GFCCVEGCSA-N 309.366 0.442 0 50 DCAA O=C([C@H]1C[C@H](O)CN1)N1CCCN(Cc2ccccc2)CC1 277881409 OANPCIQPGQVNNM-JKSUJKDBSA-N 303.406 0.444 0 50 DCAA C[C@@H]1CN(C)C[C@@H](C(=O)N2CCC[C@H]2c2ccc(O)nn2)O1 636281762 VQVRYNNNHJPJJW-WXHSDQCUSA-N 306.366 0.565 0 50 DCAA CC(C)[C@H]1CN(C(=O)CN2CCCN(C)CC2)C[C@@H]1C(=O)O 1616103338 JIEPRDAEVDBPLW-KGLIPLIRSA-N 311.426 0.439 0 50 DCAA CN1CC[C@@H]2CN(CCS(=O)(=O)c3ccccc3)C[C@@H]2C1=O 1772808122 ZKTSEAMZMFBJGX-HIFRSBDPSA-N 322.430 0.870 0 50 DCAA CN1CC[C@@H]2CN(c3ccc(S(C)(=O)=O)cn3)C[C@@H]2C1=O 1772819326 JBHCEVPGUXPJTB-PWSUYJOCSA-N 309.391 0.400 0 50 DCAA C[C@]1(C(=O)N2CCC3(CC2)CNC(=O)C3)CC12CCNCC2 1857688471 LIERCCSTJSIHNE-OAHLLOKOSA-N 305.422 0.895 0 50 DCAA CCCCS(=O)(=O)N1C[C@@H](CO)[C@H](c2cnn(C)c2)C1 328628725 NZWYYAPDJNLHAK-STQMWFEESA-N 301.412 0.558 0 50 DCAA COC1(C(=O)N2CCC[C@@H](N3CCCCC3=O)C2)CCNCC1 365045098 TVHFUESFKYNJLR-CQSZACIVSA-N 323.437 0.759 0 50 DCAA C=CC(=O)NCc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1251188760 OYHMCDMMWPXOCB-CYBMUJFWSA-N 322.386 0.406 0 50 DCAA O=S1(=O)CCN(Cc2cc(C3CC3)no2)[C@@H](CCO)C1 932308960 OTIBABRARCTVNX-NSHDSACASA-N 300.380 0.533 0 50 DCAA COc1cc(O)ncc1C(=O)NC[C@H](C)N1CCCCC1=O 935576976 DEOQCDDQPHNEQL-JTQLQIEISA-N 307.350 0.927 0 50 DCAA CN1N=C(C(=O)N2CC[C@H](C(=O)O)[C@H]3CCC[C@@H]32)CCC1=O 864174570 GRYMLBPDJGAXKU-SCVCMEIPSA-N 307.350 0.696 0 50 DCAA Cc1cc(CC(=O)N(C)C[C@H]2OCC[C@H]2c2nc[nH]n2)n(C)n1 952889291 XENNCPFFGNIWBX-CHWSQXEVSA-N 318.381 0.420 0 50 DCAA CCN=c1[nH]nc(C(=O)N2CC[C@@H](Oc3ccc(C)cn3)C2)o1 1875281899 DGZBPUCYHWIENY-LLVKDONJSA-N 317.349 0.920 0 50 DCAA C[C@H](O)CCN(C)C(=O)Cn1cc([C@H](O)c2ccccc2)nn1 1875318913 ZNHONBNSWOLZGB-BLLLJJGKSA-N 318.377 0.589 0 50 DCAA Cc1c([C@H]2CN(c3ccc(F)cn3)C[C@@H]2C(N)=O)cnn1C 886080460 SWTBMLDWYMCILJ-OLZOCXBDSA-N 303.341 0.968 0 50 DCAA Cc1c[nH]cc1C(=O)N1CCN([C@]2(C(=O)O)CCOC2)CC1 886097279 YTRDVFCVKDWKTL-OAHLLOKOSA-N 307.350 0.325 0 50 DCAA COC[C@H]1CN(C(=O)NCCN=S(C)(C)=O)C[C@H](C)O1 888097048 ZLLQEKDOMMUROM-WDEREUQCSA-N 307.416 0.159 0 50 DCAA O=C(O)[C@H]1COCCN1S(=O)(=O)c1c[nH]c2ccccc12 888099545 PTFNBKPNBRGMHD-LLVKDONJSA-N 310.331 0.642 0 50 DCAA NCCCCn1cc(C(=O)NC2(C3CCOCC3)CC2)nn1 2325769045 CEFCISAOSLEGPU-UHFFFAOYSA-N 307.398 0.706 0 50 DCAA CCn1c(=O)c2c(nc3n2CC(C(C)(C)C)=NN3C)n(C)c1=O 10329504 GTMPFWHCVVWPOY-UHFFFAOYSA-N 318.381 0.769 0 50 DCAA CC(C)CN1CCO[C@@H](CNC(=O)[C@H]2CCN(C)C(=O)C2)C1 248501278 WJBKZTRALYELSX-KBPBESRZSA-N 311.426 0.328 0 50 DCAA O=C(CNC(=O)C1CCCCC1)NCCCN1CCOCC1 22289219 ZTTPAQWSEFROBM-UHFFFAOYSA-N 311.426 0.521 0 50 DCAA CN(C[C@@H]1CCCO1)C(=O)c1cc(CN2CCOCC2)on1 67843199 JONGFRHMMKZGON-LBPRGKRZSA-N 309.366 0.758 0 50 DCAA Cc1nc(CN2CCC[C@H](N(C)[C@@H]3C[C@@H](C)OC3=O)C2)no1 229428514 CYKUPQXYNMCGJM-KGYLQXTDSA-N 308.382 0.978 0 50 DCAA C[C@@H]1OCC[C@H]1NC(=O)C(=O)Nc1cccc([S@](C)=O)c1 330512861 KDOPVNKEWXZWOZ-GTTQIGBWSA-N 310.375 0.656 0 50 DCAA CCN1CCN(C(=O)c2ccc(OC)nn2)C[C@H]1c1ncc[nH]1 328619114 FMCCCIQQDIMSIP-LBPRGKRZSA-N 316.365 0.727 0 50 DCAA Cc1n[nH]c(C)c1CCN(C)C(=O)c1cn2c(n1)CNCC2 72165457 FTOKVBLASPOZND-UHFFFAOYSA-N 302.382 0.641 0 50 DCAA CC(C)(C)N1C[C@@H](C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)CC1=O 332903157 MKBSKMUWCLVQEN-NEPJUHHUSA-N 321.421 0.761 0 50 DCAA COC[C@](C)(CC(=O)O)NC(=O)c1ccc2c(c1)nnn2C 262080684 KBMBQBSDAMEWAC-AWEZNQCLSA-N 306.322 0.578 0 50 DCAA O=C1CNC(=O)N1CCN1CCC[C@](CO)(c2ccccc2)C1 374533105 AFUIXFHKRUPCGU-KRWDZBQOSA-N 317.389 0.564 0 50 DCAA CC(C)Cn1ncnc1CN1CCC[C@@H](c2n[nH]c(=O)o2)C1 284352057 SEPACOHULGLAQK-LLVKDONJSA-N 306.370 0.990 0 50 DCAA O=C(N[C@H]1CCCc2occc21)C1=NN(CCO)C(=O)CC1 136313800 JAJXBHJXYNKJQF-NSHDSACASA-N 305.334 0.744 0 50 DCAA CCc1nnc2ccc(N3CCN(CCOC)[C@H](C)C3)nn12 174734941 SDQSGUSICWPFJU-GFCCVEGCSA-N 304.398 0.844 0 50 DCAA C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)O 135898618 LLKZLGDTTIZUJL-IUCAKERBSA-N 320.301 0.358 0 50 DCAA CN(CCc1ccccn1)C(=O)NCCN1CCC[C@@H](CO)C1 426386332 NBFONHGCYVTYEP-OAHLLOKOSA-N 320.437 0.970 0 50 DCAA CCn1cnnc1CCNC(=O)[C@@H]1Cc2ccccc2C(=O)N1 426658214 KTKHCGHFVDVHAJ-ZDUSSCGKSA-N 313.361 0.311 0 50 DCAA CC(C)(C)N1C[C@H](CNC(=O)CCCn2cncn2)CC1=O 223336056 JPRGUEBOOJBZPQ-LBPRGKRZSA-N 307.398 0.822 0 50 DCAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)c1cc2c(cc1F)NC(=O)CC2 286932308 QKZWPEREGWWGPU-PELKAZGASA-N 323.299 0.748 0 50 DCAA CCOCCN1CCN(C(=O)c2cn(C)c(C)cc2=O)CC1 426484810 OOTKMHSKQOAMTL-UHFFFAOYSA-N 307.394 0.488 0 50 DCAA CNc1cc(C(=O)N[C@@H](C2CCNCC2)[C@H]2C[C@H](O)C2)ccn1 244852983 VDBQZEMHJXSZQJ-DZKIICNBSA-N 318.421 0.992 0 50 DCAA CN(C)c1ccncc1C(=O)NC[C@H]1CN(C2CC2)CCO1 183572943 UMRJIXLOUWJQHS-ZDUSSCGKSA-N 304.394 0.741 0 50 DCAA Cc1nnc(SCCNC(=O)CCCS(N)(=O)=O)s1 827815961 FNQUQZFKIHBTQW-UHFFFAOYSA-N 324.453 0.124 0 50 DCAA Cc1cc2[nH]cc(C(=O)NCc3nc(C(C)C)no3)c(=O)n2n1 584896545 TYVUMCXAZBLSAY-UHFFFAOYSA-N 316.321 0.767 0 50 DCAA Cn1cnnc1CCC(=O)N1CCN(CC2CC2)[C@@H](CCO)C1 584891251 BHPUGINBFBWMGJ-AWEZNQCLSA-N 321.425 0.053 0 50 DCAA Cc1cncc(S(=O)(=O)N(CCS(C)(=O)=O)C(C)C)c1 1364795607 CKDKVECEMLLYFZ-UHFFFAOYSA-N 320.436 0.834 0 50 DCAA Cc1nn(CCO)cc1CN1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076023611 MIXHQHFINJAGGV-CABCVRRESA-N 318.381 0.121 0 50 DCAA CCn1ccnc1CNC(=O)c1ccc(S(=O)(=O)NC)nc1 581006257 YGIDXIKWVAUZDN-UHFFFAOYSA-N 323.378 0.136 0 50 DCAA Cc1ccccc1S(=O)(=O)N1CCC[C@@](O)(c2cnn[nH]2)C1 793896270 NZYUHFKVYRWGPC-AWEZNQCLSA-N 322.390 0.785 0 50 DCAA CN1CCO[C@H]2CN(C(=O)c3c(F)ccc4c3OCO4)C[C@H]21 1615036633 BFPIQUHAUXHIJD-PWSUYJOCSA-N 308.309 0.709 0 50 DCAA O=C(N1CCN([C@@H]2CCC[C@@H]2O)CC1)C(F)(F)[C@H](O)C1CC1 1615586166 JMKUJHYFQXGLGL-FRRDWIJNSA-N 318.364 0.450 0 50 DCAA COc1ccc(/C=c2\sc3nc(=O)c(C)nn3c2=O)cc1 55712 VMOGMNVDOQMWHN-XFFZJAGNSA-N 301.327 0.376 0 50 DCAA CN1CCN(C(=O)c2nnc(-c3ccccc3)o2)C[C@H]1CO 1857533047 ORGSIGVUNXOLQC-LBPRGKRZSA-N 302.334 0.485 0 50 DCAA O=C([C@@H]1CCc2ncnn2C1)N(CCO)Cc1ccccc1 1857673440 IVJGSCOPXSBMPO-CQSZACIVSA-N 300.362 0.862 0 50 DCAA Cn1nc(C(=O)N2CCC3(CC2)COC(=O)O3)nc1Cl 1857679359 ISNUHXPKAQEXAD-UHFFFAOYSA-N 300.702 0.610 0 50 DCAA O=C(CCCN1CCCC1)N1CC[C@@H](O)[C@@]2(CCCNC2=O)C1 1857687031 IMQUABHVWSOSCD-RHSMWYFYSA-N 323.437 0.352 0 50 DCAA Cc1cccc(-n2nc(CC(N)=O)nc2[C@H]2C[C@H](N)[C@@H](O)C2)c1 1857725472 YARSXTDLUIQMKM-DRZSPHRISA-N 315.377 0.169 0 50 DCAA COC(=O)c1ccc(N2C[C@H]3COC[C@@H](C2)C(=O)N3C)nc1 1875244294 GJWLJBRIJOONTG-NEPJUHHUSA-N 305.334 0.162 0 50 DCAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)c1cc(C3CC3)n(C)n1)C2 1875245840 UIKOXPZYUVXTCB-NEPJUHHUSA-N 318.377 0.227 0 50 DCAA Cc1cc(N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)n2ncnc2n1 408240695 FHWCFJZFZQCQNK-MNOVXSKESA-N 324.410 0.705 0 50 DCAA Nc1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O 1690118 YAIKCRUPEVOINQ-UHFFFAOYSA-N 303.317 0.915 0 50 DCAA in-vitro NC(=O)c1cn(C2CCN(C(=O)NCC3CC=CC3)CC2)nn1 624542408 ISMXWJDTDBVOOO-UHFFFAOYSA-N 318.381 0.690 0 50 DCAA CS(=O)(=O)CCN1C[C@H](c2cccc(F)c2)[C@@H](C(=O)O)C1 247532844 PMZKAYVYXLDEJN-OLZOCXBDSA-N 315.366 0.970 0 50 DCAA CN1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 248008974 DCRBRVDUGWUHLR-ZBYUQBLASA-N 311.341 0.543 0 50 DCAA Cc1noc(Cl)c1CC(=O)N[C@H]1COC[C@H]1n1ccnn1 346703336 RSGNJRCMJBZBRR-VHSXEESVSA-N 311.729 0.527 0 50 DCAA CCCc1noc(CCCC(=O)N2CCO[C@@H](C(=O)O)C2)n1 262971026 LQTLSQJBJHAXNM-SNVBAGLBSA-N 311.338 0.657 0 50 DCAA O=C(CCO)N1CC[C@](Cc2ccccc2)(C(=O)O)[C@H](O)C1 1704338402 TZBKFCXVHCQLJW-CZUORRHYSA-N 307.346 0.276 0 50 DCAA NC[C@@H]1CN(C[C@H](O)Cn2cccn2)C[C@H]1c1ccccc1 864096505 BPTGOZPZSPPZAB-IKGGRYGDSA-N 300.406 0.918 0 50 DCAA O=C(O)[C@@H]1CC[C@H](C(=O)N2CCN(c3ccccc3)C(=O)C2)N1 952888489 JVGVBWBRMXMDDU-OLZOCXBDSA-N 317.345 0.067 0 50 DCAA CCn1cnc(C(=O)N2C[C@@H](OC)C[C@H]2Cn2ccc(N)n2)c1 952888585 RSKJLPRBQLWBQU-RYUDHWBXSA-N 318.381 0.611 0 50 DCAA NC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1cnn(CC3CC3)c1)C2 952849360 AWWIJMSHOVKNQY-CJNGLKHVSA-N 318.377 0.257 0 50 DCAA COC1(c2ccc(C(=O)N3CCO[C@H](CO)C3)cc2)COC1 1875293260 JNFZGWOUGARLIE-AWEZNQCLSA-N 307.346 0.392 0 50 DCAA COC(=O)/C=C/C(=O)N[C@@H]1CS(=O)(=O)N(C)c2ccccc21 1875378651 ABZBQOJFKYKYRB-WSKFYRRCSA-N 324.358 0.353 0 50 DCAA C[C@@H](c1cccc(-c2nn[nH]n2)c1)N1CC(CO)(CO)C[C@H]1C 1875329576 DKYDXGFYHDUWFT-NEPJUHHUSA-N 317.393 0.993 0 50 DCAA O=C(COc1cccnc1)N[C@@H]1C[C@H](Cn2cccn2)C[C@H]1O 1875402079 ATGLIGOHTJKRFY-NWANDNLSSA-N 316.361 0.613 0 50 DCAA COCc1nocc1C(=O)N1C[C@H](n2ccnn2)[C@H](N(C)C)C1 888094298 ITRILRWZWOQGKI-OLZOCXBDSA-N 320.353 0.040 0 50 DCAA N[C@H]1CCCN(CC(=O)N[C@H]2COc3cc(F)ccc3C2)C1=O 2325778516 BSTCMZRQKKFNPP-OLZOCXBDSA-N 321.352 0.195 0 50 DCAA C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1O[C@@H]2CC[C@H]1[C@@H](O)[C@H]2O 2325804168 YMXGHCJHWBSDOQ-BJSCFCGFSA-N 321.329 0.242 0 50 DCAA CCNC(=O)CN(c1cccc(-n2cccn2)c1)S(C)(=O)=O 2356161555 ZRRCNVGYLDPSDI-UHFFFAOYSA-N 322.390 0.774 0 50 DCAA COc1ccc([C@H](CC(=O)O)N2CCS(=O)(=O)CC2)cc1 3883261 UIMZKCALBIDFJG-ZDUSSCGKSA-N 313.375 0.941 0 50 DCAA CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC)cc1C 6703890 UAHRNUNDEJRPLB-JTQLQIEISA-N 300.380 0.807 0 50 DCAA O=C1CN(C(=O)CCC(=O)Nc2ccc3c(c2)CCC3)CCN1 20560649 YNVKSISEDNPCIE-UHFFFAOYSA-N 315.373 0.852 0 50 DCAA C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CCOCC1 25501791 VCOOXUNRMMEHJH-CHWSQXEVSA-N 306.362 0.663 0 50 DCAA Cn1nccc1C(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1 349027116 LNTYMSAVNHWCBA-UHFFFAOYSA-N 315.333 0.278 0 50 DCAA C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1 252498247 VGNGSQXYQJGLSF-YVECIDJPSA-N 300.424 0.410 0 50 DCAA C[C@H]1CN(C(=O)/C=C/c2ccc(OCC(N)=O)cc2)C[C@@H](C)N1 153161870 ZUSBNOLOJANKGA-CZXYNIEVSA-N 317.389 0.773 0 50 DCAA CCC(=O)Nc1nnc(S(=O)(=O)NC[C@@H]2CCCO2)s1 72438158 HTMGUHNKLGMNLQ-ZETCQYMHSA-N 320.396 0.344 0 50 DCAA C[C@]12CCC(=O)N1[C@@H](C(=O)N1CC(OC(F)F)C1)CS2 437559125 NTEPAFDLMMUGMX-PELKAZGASA-N 306.334 0.890 0 50 DCAA CC(C)[C@@H](NC(=O)CCn1c(=O)n(C)c2ccccc21)C(=O)O 156305903 PZUFULMJPJFUHM-CQSZACIVSA-N 319.361 0.956 0 50 DCAA CC(C)[C@@H](NC(=O)C1CCN(c2cnccn2)CC1)C(=O)O 236813799 CFQDZKMVXZMKFG-CYBMUJFWSA-N 306.366 0.918 0 50 DCAA Cc1c(C(=O)N2CC[C@](O)(c3c[nH]nn3)C2)cnn1CC(C)C 284464992 AWGARLRPIOJPQI-OAHLLOKOSA-N 318.381 0.699 0 50 DCAA CN(C)C(=O)COC[C@@H]1CN(Cc2cncn2C)CC(C)(C)O1 284626890 UGYAVWFTOAPLTN-AWEZNQCLSA-N 324.425 0.504 0 50 DCAA CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccnc2c1ncn2C 287255225 ANMMVKJPCNWUEK-NSHDSACASA-N 301.350 0.661 0 50 DCAA COCCn1cnnc1CCNC(=O)c1n[nH]c2ccccc12 221305137 GBNSWUXOVXEVRP-UHFFFAOYSA-N 314.349 0.773 0 50 DCAA CCc1c(C(=O)N2CC(O)(CO)C2)cnn1-c1ccccc1 615427322 BQKWFWCMNDIJJR-UHFFFAOYSA-N 301.346 0.614 0 50 DCAA Cn1cc(C(=O)N2CCN(Cc3ccoc3)C[C@H](O)C2)cn1 97323911 DNZQEHSSVRLDTI-AWEZNQCLSA-N 304.350 0.332 0 50 DCAA Cc1nc(CN2C[C@H]3CN(C(=O)N(C)C)C[C@@]3(C(=O)O)C2)co1 91914673 RIAAGQLNJKVAAE-NHYWBVRUSA-N 322.365 0.483 0 50 DCAA CN1CC[C@@H](N(C)CCC(=O)NCCn2cc(Cl)cn2)C1 244659786 HIQRPIRSWRCPHY-CYBMUJFWSA-N 313.833 0.679 0 50 DCAA O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)[C@@H]1C[C@H](O)CN1 299742010 AQIDCCPOESLJME-SCVCMEIPSA-N 310.785 0.153 0 50 DCAA CN1CCCN(C(=O)N[C@H]2CCCN(c3cnccn3)C2)CC1 584902088 SEFXHDWBHKZNNZ-AWEZNQCLSA-N 318.425 0.793 0 50 DCAA O=C1CC[C@H](C(=O)NCc2ccc3ccccc3n2)NC(=O)N1 584900321 COMQAXHOROOQMP-CYBMUJFWSA-N 312.329 0.839 0 50 DCAA C[C@](O)(CCCO)CNC(=O)c1ccccc1N1CCOCC1 952981213 USBPWMFIVBDEMJ-KRWDZBQOSA-N 322.405 0.777 0 50 DCAA O=C(CCc1cn[nH]c1)N1CCCN(c2ncccn2)CC1 952866803 DUSJILNUKGCKLC-UHFFFAOYSA-N 300.366 0.871 0 50 DCAA Cc1ccccc1OCC(=O)N[C@H]1CCOC[C@@H]1OCCO 1565526735 XYXQSDDYWCSEPY-ZFWWWQNUSA-N 309.362 0.656 0 50 DCAA CCS(=O)(=O)N[C@@H](C)C(=O)N1CCOC2(CCCCC2)C1 408517141 YPQNGQCZLRCTIV-LBPRGKRZSA-N 318.439 0.876 0 50 DCAA CO[C@H](CNC(=O)N1CCO[C@H](C(=O)O)C1)Cc1ccccc1 666548757 KCZIFODEOXHGOD-KBPBESRZSA-N 322.361 0.739 0 50 DCAA Cn1c(N2CC[C@](O)(Cn3ccnn3)C2)nc2c(F)cccc21 671465997 DHZMUHDDOXDGHW-OAHLLOKOSA-N 316.340 0.945 0 50 DCAA COC[C@@H](NC(=O)N1CCN(C)[C@@H](c2ncc[nH]2)C1)C1CC1 583615655 YQQYOWDKZHMPKO-CHWSQXEVSA-N 307.398 0.833 0 50 DCAA CNC(=O)C1(C(=O)N2CCN(c3ccccc3)C(=O)C2)CC1 680940899 ZLGNTZGVPVICKF-UHFFFAOYSA-N 301.346 0.388 0 50 DCAA Cc1noc2ncc(S(=O)(=O)N[C@@H]3C=C[C@@H](C(=O)O)C3)cc12 681579034 HNBMMACQBHJMQJ-RKDXNWHRSA-N 323.330 0.839 0 50 DCAA CCc1noc(NC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c1C 1506398761 FIAQKKUCGYBION-SNVBAGLBSA-N 315.395 0.603 0 50 DCAA Cc1cc(C[C@@H]2CN(C(=O)c3cccc(O)n3)C[C@H]2O)on1 1704343531 JRBDXGIZWZBLMS-ZWNOBZJWSA-N 303.318 0.759 0 50 DCAA O=C(CCc1n[nH]c2c1CCCC2)N1CCC([C@H](O)CO)CC1 1772704015 HRAUDJYLDJCZFS-MRXNPFEDSA-N 321.421 0.813 0 50 DCAA O=C(Cc1ccc(O)cc1)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1 1857704971 MVUUQIXUXPSLAP-WMLDXEAASA-N 318.373 0.424 0 50 DCAA O=C(N[C@H]1C[C@H]2CO[C@@H](CCO)CN2C1)c1cncc(F)c1 1857734221 FMFZVCOGQBZZOJ-IHRRRGAJSA-N 309.341 0.175 0 50 DCAA O=C(c1ncc(F)cc1F)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857741017 YCVHFMQJFZNQFX-ABAIWWIYSA-N 323.299 0.923 0 50 DCAA Cc1c[nH]c(CN2C[C@H]3COC[C@@H](C2)C(=O)N3C)c(C)c1=O 1875245358 WIMNYNASAJILSH-OLZOCXBDSA-N 305.378 0.281 0 50 DCAA CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)O 3886491 MPTAGPDKOCKSRA-LBPRGKRZSA-N 315.347 0.845 0 50 DCAA in-vitro CC(C)C[C@H](NC(=O)[C@@H]1O[C@@H](C)C[C@H]1C)C(=O)NCCO 253397459 QZLPKLUDNGENHM-MROQNXINSA-N 300.399 0.439 0 50 DCAA CC(=O)N[C@H](C(=O)N1CC(OCc2nnc(C)o2)C1)C(C)(C)C 818661474 GFIHBLMYMGAGCV-CYBMUJFWSA-N 324.381 0.656 0 50 DCAA CCC1CCN(S(=O)(=O)N2CCOC[C@H]2CC(=O)O)CC1 849218292 STAMASAVXUXERU-GFCCVEGCSA-N 320.411 0.529 0 50 DCAA Cc1noc(C[C@@]2(O)CCCN(C(=O)Cc3ccc[nH]3)C2)n1 886096548 LRIINMAJPVFSOR-HNNXBMFYSA-N 304.350 0.845 0 50 DCAA COc1nn(C)cc1CNC(=O)[C@@H]1CCc2nc(C)[nH]c2C1 890025743 OXBKRDQHKUIEJT-SNVBAGLBSA-N 303.366 0.882 0 50 DCAA CO[C@@H]1C[C@@H](COc2cccnc2)N(CC(=O)N2CCC2)C1 1775957086 CBUGKYGYTVDSMU-DZGCQCFKSA-N 305.378 0.782 0 50 DCAA CN(C)c1ncc(CN2CCC(NS(C)(=O)=O)CC2)s1 77321936 QEDWMDMTZFAJFX-UHFFFAOYSA-N 318.468 0.723 0 50 DCAA COCC1(C(=O)NCc2ccc(-n3cncn3)cc2)COC1 2325811704 ZCBDTKMVLVMPHV-UHFFFAOYSA-N 302.334 0.547 0 50 DCAA Cn1nnc([C@H]2CN(CCn3cnc4ccccc43)CCO2)n1 2356142962 OTJTYHWTPDFFLU-CQSZACIVSA-N 313.365 0.633 0 50 DCAA CCOCCn1nc(CC(N)=O)nc1-c1ccc2cc[nH]c2n1 2356146668 PKPHUEBTDFPZSF-UHFFFAOYSA-N 314.349 0.886 0 50 DCAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1nc3ncccc3[nH]1)C2 2356148486 AEPQUSPKQUWLQX-MNOVXSKESA-N 301.350 0.361 0 50 DCAA C/C=C/Cn1c(=O)c2c(nc3n2CC(C)=NN3CC)n(C)c1=O 10336853 JZOMYYOMIIBEGJ-FNORWQNLSA-N 316.365 0.689 0 50 DCAA O[C@@H]1CN(CCN2CCOCC2)CCN(Cc2ccccc2)C1 108402080 WUXUALHWKFMQCU-GOSISDBHSA-N 319.449 0.497 0 50 DCAA CCN(C)[C@H]1CCN(CCN2C(=O)NC3(CCCC3)C2=O)C1 225672108 QUPDRQLOHZNCEX-ZDUSSCGKSA-N 308.426 0.877 0 50 DCAA CC[C@@H](C)N(Cc1cccnc1)C(=O)Cn1[nH]c(=O)ccc1=O 55358681 GIAPCQRTOWDUIY-GFCCVEGCSA-N 316.361 0.759 0 50 DCAA Cc1nnc(N2C[C@@H](COCC(=O)N(C)C)OC(C)(C)C2)o1 343569633 QYKBNSDUYGYFSD-NSHDSACASA-N 312.370 0.467 0 50 DCAA CC(C)S(=O)(=O)N1CCC(Cn2cc(CCO)nn2)CC1 23479184 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CC(C)c1nnc([C@H](C)NC(=O)Cn2ccc(O)nc2=O)o1 426359620 LLEKJISAWHMFJX-QMMMGPOBSA-N 307.310 0.333 0 50 DCAA O=C(NCCCn1cnnc1)[C@H]1CCC(=O)N(C2CCCC2)C1 91780341 DRCLJTCADIMDNH-ZDUSSCGKSA-N 319.409 0.966 0 50 DCAA O=C(O)CC[C@@H]1CN(c2ncccn2)CC[C@@H]1N1CCOCC1 91325778 BIPBUYZWYWCJQV-KGLIPLIRSA-N 320.393 0.869 0 50 DCAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCn2cncn2)on1 96161499 RDUCYQGCAFPVKD-YPMHNXCESA-N 305.338 0.339 0 50 DCAA O=C(NC(CO)CO)c1coc(COc2cccc(F)c2)n1 91643864 VIFCHCBJZBTWRK-UHFFFAOYSA-N 310.281 0.476 0 50 DCAA COc1cc(C)nc(N2C[C@H](c3cnn(C)c3)[C@@H](C(N)=O)C2)n1 299744526 PARMRDFVFLHOLA-NEPJUHHUSA-N 316.365 0.232 0 50 DCAA O=S(=O)(NCCCc1nc2ccccc2[nH]1)N1CCOCC1 534652274 AQTNOPBAYPDAPO-UHFFFAOYSA-N 324.406 0.662 0 50 DCAA Cn1cc(S(=O)(=O)NCc2n[nH]c3c2CCCCC3)cn1 825658338 IVSXTDGYPBYAED-UHFFFAOYSA-N 309.395 0.891 0 50 DCAA O=C(O)CNC(=O)NCc1nncn1CCc1ccccc1 828018514 BNFCSTCQWITESM-UHFFFAOYSA-N 303.322 0.405 0 50 DCAA COc1ccc2nc(CNC(=O)c3ccc4nnnn4c3)[nH]c2c1 670440567 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COC1(OC)CCN(C(=O)NCC2(SC)CC2)C[C@H]1O 1615056497 ZHJCPHRKRHITJN-SNVBAGLBSA-N 304.412 0.647 0 50 DCAA CN(CC(=O)N1CCCC[C@@]12CCCOC2)S(C)(=O)=O 1615613879 APEPUIUXCQCIHJ-ZDUSSCGKSA-N 304.412 0.440 0 50 DCAA COc1c(F)cc(C(=O)N2C[C@H]3[C@H](C2)C3(CO)CO)cc1F 1772700782 FIPMMMUTSOEGPB-UWVGGRQHSA-N 313.300 0.646 0 50 DCAA COCCN1C[C@@H](C(=O)NCC2(O)CCCCC2)CCC1=O 12454383 YHSSDNZOBGYPMA-ZDUSSCGKSA-N 312.410 0.683 0 50 DCAA Cc1cc(OCCN2CCOCC2)nc(N2CCOCC2)n1 19928476 YJSQFLQRRQFBSJ-UHFFFAOYSA-N 308.382 0.333 0 50 DCAA COc1ccc(CC(=O)N2CCOC[C@H](C(=O)O)C2)cc1OC 1857694399 ALPOMTICQIQYKY-GFCCVEGCSA-N 323.345 0.806 0 50 DCAA NCCCC[C@H](NC(=O)CNC(=O)Cc1ccccc1)C(=O)O 2508221 VPCYMTNCRVUYFU-ZDUSSCGKSA-N 321.377 0.044 0 50 DCAA in-vitro O=C(O)C[C@@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)CCO1 262459633 VFMSYQMBVWOMIW-ZYHUDNBSSA-N 318.329 0.815 0 50 DCAA O=C([C@@H]1COc2ccccc2C1)N1CCC[C@@](O)(C(=O)O)C1 386519729 XJSKWWXMYFUYGX-LRDDRELGSA-N 305.330 0.676 0 50 DCAA O=C(O)C(=O)N1CCN(C(=O)c2ccc(F)c(Cl)c2)CC1 396646508 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O=C1NCCC[C@@]12CCCN2Cc1cc(=O)n2ccccc2n1 2356148185 LEHJHHISYBUVDS-QGZVFWFLSA-N 312.373 0.939 0 50 DCAA CN1CC[C@@H](O)[C@H](C(=O)N(C)Cc2n[nH]c3c2CCCC3)C1 2356155580 ITGKZKLLQYNGRM-IUODEOHRSA-N 306.410 0.560 0 50 DCAA CC[C@H](C)n1nccc1NC(=O)c1c[nH]c2ncnn2c1=O 102364135 SDYITWPYCHRMIU-QMMMGPOBSA-N 301.310 0.837 0 50 DCAA COCCN1CCC[C@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C 246574488 ZMYUTQVWQODZLE-PMPSAXMXSA-N 324.469 0.975 0 50 DCAA CNS(=O)(=O)CCNc1cc(C2CCNCC2)nc(C)n1 67696045 GUNGRVBYBMNOEQ-UHFFFAOYSA-N 313.427 0.213 0 50 DCAA CN(CC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O 22606554 RWIDNMXGYXJQDG-UHFFFAOYSA-N 300.336 0.288 0 50 DCAA Nc1nc(C(=O)NC[C@H]2CCN(Cc3ccccc3F)C2)n[nH]1 67851353 YKJRRMNBWMALOE-SNVBAGLBSA-N 318.356 0.778 0 50 DCAA CN(C[C@H]1CCn2ccnc2C1)C(=O)CN1CSCC1=O 328635184 UQPMPAMUFGAQPB-NSHDSACASA-N 308.407 0.437 0 50 DCAA Cn1nccc1N1CCC[C@H](Nc2nnc(C(F)F)o2)C1=O 330349474 JXOSXBLYQLYDRV-ZETCQYMHSA-N 312.280 1.348 0 50 DCAA CCc1nc(C)c(CC(=O)N[C@H](C)CCn2cccn2)c(=O)[nH]1 218907453 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BHJQPOBBYRUCFF-NSHDSACASA-N 311.455 0.914 0 50 DCAA CCc1nccn1CCCNC(=O)[C@@H]1NCCc2nc[nH]c21 534587343 RMDDCBIHGGYRKV-CQSZACIVSA-N 302.382 0.562 0 50 DCAA O=C(O)CCCC(=O)N1CCCO[C@H](CN2CCOCC2)C1 534648398 VDECCRCPNFFKJB-CYBMUJFWSA-N 314.382 0.191 0 50 DCAA Cc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1F 647886270 JWKKZIGGJXRJOK-STQMWFEESA-N 302.371 0.430 0 50 DCAA CCc1noc(CCNC(=O)Cn2nc3ccccc3n2)n1 584900554 VFVOOTBWJYGOLT-UHFFFAOYSA-N 300.322 0.736 0 50 DCAA O=C(c1ccc(-n2cnnn2)cn1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 629770235 KUJJSZFTWUXYBM-ZWKOPEQDSA-N 300.322 0.043 0 50 DCAA COCc1nc2n(n1)C[C@H](NC(=O)c1cncc(F)c1)CC2 268295171 WFDBMLIHKIZAPC-LLVKDONJSA-N 305.313 0.703 0 50 DCAA O=C(O)C[C@@H]1CN(C(=O)c2cccc3c2OCCO3)CCO1 269039201 PTGFPZOKFGUMLF-SNVBAGLBSA-N 307.302 0.774 0 50 DCAA O=C(NCc1ccc(F)cc1)C(=O)N1CCC[C@@H](C(=O)O)C1 165374424 JALWASLCZSDUOP-LLVKDONJSA-N 308.309 0.765 0 50 DCAA CCc1c(C(=O)N[C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)cnn1C 643819357 ZUBYXSJFMIPLBM-UXIGCNINSA-N 320.393 0.539 0 50 DCAA Cc1cc(NC(=O)N2CCN3C(=O)CC[C@H]3C2)c(N(C)C)nn1 667483867 UNRGPCYOUMCXDO-NSHDSACASA-N 318.381 0.690 0 50 DCAA Cc1cc(C(=O)N2C[C@@H]3C[C@]3(C)C2)c2c(O)nc(=O)n(C)c2n1 1772813766 SGDZVIBYSSERHC-XXFAHNHDSA-N 314.345 0.825 0 50 DCAA O=C(Cn1cnnn1)N1CCc2[nH]nc(-c3ccccc3)c2CC1 1857667221 LEKANRPAVLWQJL-UHFFFAOYSA-N 323.360 0.691 0 50 DCAA CN1C(=O)[C@@H]2CCC[C@H]1CN(C(=O)c1ccn3ncnc3c1)C2 1857673214 PQJWFJBSROUTLK-OLZOCXBDSA-N 313.361 0.812 0 50 DCAA Cc1cncc(C(=O)N2CC[C@@H](O)[C@@]3(CCCNC3=O)C2)c1 1857689292 MPPLCQCPHXCHLM-CZUORRHYSA-N 303.362 0.493 0 50 DCAA O=C(Cn1cnnc1)N[C@H]1CCOC[C@@H]1OCc1ccccc1 710003429 LXCLOBAOTQAYLL-GJZGRUSLSA-N 316.361 0.769 0 50 DCAA CC[C@H]1CN(C(=O)CN2CCC[C@@H](Cn3cncn3)C2)CCO1 229478744 ZUHQHHIITZRSGN-CABCVRRESA-N 321.425 0.628 0 50 DCAA CC(C)N1CCC[C@@H](N2CCC[C@@H](n3cc(CO)nn3)C2)C1=O 328790701 QLUVLLCBGNBMBK-HUUCEWRRSA-N 321.425 0.807 0 50 DCAA O=C(Nc1cccc(Cn2cccnc2=O)c1)C12CC(CN1)C2 912401330 LVKHUVIMPYKPEA-UHFFFAOYSA-N 310.357 0.982 0 50 DCAA CCc1cc(C(=O)N(CC(=O)NC)CC2CCC2)cn(C)c1=O 1875303584 DVYYZSVVKJISGC-UHFFFAOYSA-N 319.405 0.936 0 50 DCAA NC(=O)CNC(=O)c1cccc(OC[C@@H]2C[N@]2CC2CC2)c1 1875381576 ZUSCNXWVIDJGJT-DJJJIMSYSA-N 303.362 0.375 0 50 DCAA O=C([C@H](F)[C@@H]1CCCNCC1)N1CCc2c(O)ncnc2C1 1875315411 UFRSXLLIYRJONP-ZWNOBZJWSA-N 308.357 0.795 0 50 DCAA CC(=O)N1CCO[C@H]2CCN(Cc3ncc(Cl)n3C)C[C@@H]21 886045030 XDTIZOZGQUBADE-RYUDHWBXSA-N 312.801 0.895 0 50 DCAA CN1C[C@@H]2CN(C(=O)Cc3ccc(C(N)=O)nc3)C[C@]2(C)C1 887922102 XFRHNNYLMUUKNA-WBMJQRKESA-N 302.378 0.133 0 50 DCAA CN1CCO[C@@H]2CCN(C(=O)Cc3cccc(C(=O)O)c3)C[C@H]21 888096219 NXMCWACJIACVJR-HUUCEWRRSA-N 318.373 0.859 0 50 DCAA CN1CCO[C@@H]2CCN(C(=O)Cc3cccc(C(=O)O)c3)C[C@@H]21 888096220 NXMCWACJIACVJR-LSDHHAIUSA-N 318.373 0.859 0 50 DCAA Cc1nc(S(=O)(=O)N[C@@H]2C[C@H](N(C)C)C2(C)C)cn1C 888095677 QAIAMLXSVIOSGZ-MNOVXSKESA-N 300.428 0.736 0 50 DCAA NC(=O)[C@]1(O)CCCN(C(=O)c2ccc(Cl)cc2F)C1 284808511 AZFOJOVYQNVKHN-ZDUSSCGKSA-N 300.717 0.932 0 50 DCAA CCOC(=O)[C@@H]1C(=O)N=C(N2CCOCC2)N[C@@H]1c1ccco1 2436911 UUNXEQBSBBXKBH-NWDGAFQWSA-N 321.333 0.318 0 50 DCAA CC[C@@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)O 52871 DERCDELOZKOELA-LLVKDONJSA-N 300.336 0.787 0 50 DCAA biogenic CC(C)Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C 4317965 JAKXHVAHZCHEDG-UHFFFAOYSA-N 315.171 0.852 0 50 DCAA Cn1cnnc1SCC(=O)N1CCN(c2ncccn2)CC1 7077092 MBFIDVHLOKCKID-UHFFFAOYSA-N 319.394 0.046 0 50 DCAA CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CSCN1 133947543 VSWMBSIKHXFDCH-LBPRGKRZSA-N 318.402 0.934 0 50 DCAA Cc1noc(C)c1S(=O)(=O)NC[C@@H]1CCNCC1(F)F 420465833 LSHGYVTVIYWLLH-VIFPVBQESA-N 309.338 0.815 0 50 DCAA Cc1ccc2nc(CNC(=O)C[C@H]3NC(=O)NC3=O)[nH]c2c1C 67847592 YASFQOIFBQZQTD-SNVBAGLBSA-N 315.333 0.394 0 50 DCAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](CO)CC(C)C)C1 330580570 RDOYVCGHYWMKLU-OLZOCXBDSA-N 320.455 0.571 0 50 DCAA CC(=O)N1CCCN([C@@H]2CN([C@@H]3CCN(C)C3=O)C[C@@H]2C)CC1 229829125 NFDHFEZAZGSNLJ-NUEKZKHPSA-N 322.453 0.092 0 50 DCAA Cc1nonc1OCCNS(=O)(=O)NCc1ccccc1 71754113 CLNUGSVKCGHZAC-UHFFFAOYSA-N 312.351 0.381 0 50 DCAA CO[C@H]1C[C@@H](C(=O)NC2(CO)Cc3ccccc3C2)N(C)C1 331814904 YFNYCRMTXGOTMY-GJZGRUSLSA-N 304.390 0.352 0 50 DCAA O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1cncc(O)c1 171845444 ZPDQOJKRNXSYPT-VIFPVBQESA-N 303.240 0.680 0 50 DCAA CNc1nc(N2CCC(C(=O)O)(n3ccnc3)CC2)ncc1F 72476250 VOEVWVRWAYCMGV-UHFFFAOYSA-N 320.328 0.934 0 50 DCAA COC[C@H]1CCCCN1C(=O)c1cccc(S(N)(=O)=O)c1 216183239 WOEVVRHUJCVPQX-GFCCVEGCSA-N 312.391 0.975 0 50 DCAA CCS(=O)(=O)NCCCN1C[C@H](CO)Cc2ccccc21 366401607 LPOFKEAFHMHJKM-CYBMUJFWSA-N 312.435 0.987 0 50 DCAA C[C@H](N)[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(N)=O)c1 237459561 BLJIBDPZMVOHPD-GWCFXTLKSA-N 311.407 0.676 0 50 DCAA CN1C[C@]2(CCN(C(=O)Cn3nc4ccccc4n3)C2)OC1=O 215987654 YCZHBBCNOGCHSN-HNNXBMFYSA-N 315.333 0.484 0 50 DCAA Cc1cc(C(=O)NCCc2noc([C@H]3CCCO3)n2)cc(=O)[nH]1 216167285 KZWMFPXINFJZBY-LLVKDONJSA-N 318.333 0.890 0 50 DCAA O=C(O)[C@@H]1COCCN1C(=O)Cn1ccc(=O)c2ccccc21 262436406 FNDGTKCEQYLVFZ-ZDUSSCGKSA-N 316.313 0.314 0 50 DCAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2noc(C)c2C)C1 452161946 KZEWJIGNQCPLMR-LLVKDONJSA-N 315.395 1.292 0 50 DCAA CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)N[C@H](C)C[S@](C)=O)[C@@H]1[C@H]3C2 376942990 GKGVDAKNGPHZBK-RDZWGODPSA-N 300.424 0.818 0 50 DCAA CC(C)S(=O)(=O)N1CC[C@@H](N[C@H]2CCN(C)C2=O)[C@H](C)C1 240894801 IPZPTBIRFXYAGV-UPJWGTAASA-N 317.455 0.255 0 50 DCAA NC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 225671801 RLADDIZJVPEVAS-KKOKHZNYSA-N 302.286 0.378 0 50 DCAA COc1cc(C(=O)O)cc(C(=O)NC[C@@H]2COCCN(C)C2)c1 426523739 VYTUZWMULCURNL-NSHDSACASA-N 322.361 0.701 0 50 DCAA Cc1cc(C)n2c(C(=O)NC3CCS(=O)(=O)CC3)nnc2n1 223891583 WHBJBOUPUXBRLI-UHFFFAOYSA-N 323.378 0.048 0 50 DCAA O=C(NCCc1nc2ccc(Cl)cc2[nH]1)NC[C@@H](O)CO 426544600 ALBCUNYIJCXNEW-SECBINFHSA-N 312.757 0.411 0 50 DCAA Cc1n[nH]c(C)c1CCCNC(=O)CN1CC[C@@H](N(C)C)C1 222555437 KARQJBPVCSJWRO-CQSZACIVSA-N 307.442 0.711 0 50 DCAA Cc1cc(CNC(=O)Cn2ccc([C@H]3CCCNC3)n2)on1 426598836 ILSYZWRTHVLJQN-LBPRGKRZSA-N 303.366 0.963 0 50 DCAA O=C(O)[C@@H]1Cc2[nH]cnc2CN1C(=O)Cc1ccc(O)c(F)c1 95498692 HEFMSGZIENBJFG-LBPRGKRZSA-N 319.292 0.835 0 50 DCAA CC(C)CS(=O)(=O)CCNC(=O)c1ccc(N(C)C)nc1 97636716 HJBJCLZIMQQMOL-UHFFFAOYSA-N 313.423 0.948 0 50 DCAA O=C(O)[C@@H]1CN(Cc2c[nH]cn2)CCN(C(=O)c2ccc[nH]2)C1 97301315 YTVWPDXNWVYKPT-LLVKDONJSA-N 317.349 0.397 0 50 DCAA O=C(O)[C@@H]1CNCCN(Cc2cc(-c3ccccn3)no2)C1 97636736 VEXNERXXSWSREK-LLVKDONJSA-N 302.334 0.843 0 50 DCAA O=C([C@@H](c1cccnc1)N1CCCC1)N1CCS(=O)(=O)CC1 95378015 UYXJIYJYKRFEDO-CQSZACIVSA-N 323.418 0.476 0 50 DCAA O=C(COC[C@H]1CCCCO1)NCCc1cnc(O)nc1O 253537245 GYLQQEUKEMYCLR-LLVKDONJSA-N 311.338 0.132 0 50 DCAA O=C(CCn1cnnn1)N[C@H]1CCCN(Cc2cccnc2)C1 299776346 AGCNZEUPSWGANQ-AWEZNQCLSA-N 315.381 0.239 0 50 DCAA O=C1NC2(CCOCC2)C(=O)N[C@@H]1Cc1c[nH]c2ccccc12 828301594 YEEMRYGPEDQYHG-CQSZACIVSA-N 313.357 0.874 0 50 DCAA O=C1CC[C@@H](C(=O)NCc2ccc3ccccc3n2)NC(=O)N1 584900322 COMQAXHOROOQMP-ZDUSSCGKSA-N 312.329 0.839 0 50 DCAA CCOc1ccccc1CCCNC(=O)Cn1[nH]nnc1=N 952986078 YDGCZPBWOFTNLY-UHFFFAOYSA-N 304.354 0.233 0 50 DCAA CCc1cnc(C)nc1N[C@H]1CCN(CC(=O)N(C)C)C[C@@H]1O 1565508539 GVUXCXHRNXFCNS-KBPBESRZSA-N 321.425 0.283 0 50 DCAA O=C(O)CC[C@@H]1C[C@@H](C(=O)NCCC(=O)Nc2ncc[nH]2)CO1 1595002352 SVRRXQUZHQFMSO-NXEZZACHSA-N 324.337 0.124 0 50 DCAA CC[C@@H]1C(=O)NCCN1C(=O)c1cc(OC(F)F)n(C)n1 185493592 ZTCUNXAOWCOOMJ-MRVPVSSYSA-N 302.281 0.372 0 50 DCAA CCN1CC[C@@H](NC(=O)NCc2cccc(C(=O)O)c2)C1=O 666546506 JNKBZECHJQECGF-GFCCVEGCSA-N 305.334 0.805 0 50 DCAA C[C@@H](C(F)(F)F)S(=O)(=O)N1CCOC[C@@]12CCOC2 195482768 ZGOOTPBVSIEELX-IUCAKERBSA-N 303.302 0.758 0 50 DCAA c1ccc(CN2CCO[C@H]3CN(CCn4cncn4)C[C@H]32)cc1 229948090 UWYDCLQLZWCBLW-SJORKVTESA-N 313.405 0.863 0 50 DCAA Cc1ccccc1Cn1c(NN)nc2c1c(=O)[nH]c(=O)n2C 12558792 VPLFWPYTVLFGQX-UHFFFAOYSA-N 300.322 0.066 0 50 DCAA COC(=O)[C@H]1COCCN(c2ncnc3ccc(C)nc23)C1 1857672026 FEVDBSHFPWVTBV-LLVKDONJSA-N 302.334 0.959 0 50 DCAA COc1ccc(N2CCN(C(=O)c3cc(=N)[nH][nH]3)CC2)cn1 1857673335 TVRIRIROHVRGRY-UHFFFAOYSA-N 302.338 0.188 0 50 DCAA Cn1ncc2c(O)nc(CCC(=O)NC3[C@@H]4C[C@@H]4[C@H]4C[C@@H]34)nc21 1875308488 IKKFXHMOGUDSBX-ZYUZMQFOSA-N 313.361 0.772 0 50 DCAA CNC(=O)C[C@@H]1CN(C(=O)c2cc3c(cn2)CCCC3)C[C@H]1O 1875404207 ZPQFTTWJHYZHNV-UKRRQHHQSA-N 317.389 0.529 0 50 DCAA COCc1csc(CN2Cc3nnc(O)n3C[C@H]2C(=O)O)c1 2325851952 NXULADKGRUODIE-JTQLQIEISA-N 324.362 0.661 0 50 DCAA O=C1CCC(=O)N1Cc1ccc(CN2C(=O)CCC2=O)cc1 437600 JICDCAXQPMPPPZ-UHFFFAOYSA-N 300.314 0.985 0 50 DCAA COc1ccc(OC)c(NC(=O)CSc2nnnn2C)c1 471316 REDDRDGSQHMJSI-UHFFFAOYSA-N 309.351 0.958 0 50 DCAA CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCN(CCO)CC1)CC2=O 20113761 KMUNOUDOGWERHL-SJORKVTESA-N 308.422 0.908 0 50 DCAA biogenic Cc1cc(C)n(CCCC(=O)N2CCN(C)[C@@H](C(=O)O)C2)n1 67894377 MMDOLUJHMQKVAE-CYBMUJFWSA-N 308.382 0.507 0 50 DCAA Cc1nc(CN2CC(S(=O)(=O)NC3CCCC3)C2)no1 253432315 XVZRRPTWUCAMMV-UHFFFAOYSA-N 300.384 0.424 0 50 DCAA NC(=O)c1cc(NC(=O)/C=C\C(=O)O)ccc1N1CCOCC1 32645630 WQHDYVYYBCAYRG-ARJAWSKDSA-N 319.317 0.201 0 50 DCAA C[C@H](CNC(=O)c1cnn(CC(F)(F)F)c1)N1CCOCC1 252523245 CEILQXZROKRXQU-SNVBAGLBSA-N 320.315 0.896 0 50 DCAA NC(=O)NCC(=O)N[C@@H]1CCCN(CCCc2ccccc2)C1 72427852 WUSOBJKLENWKJN-OAHLLOKOSA-N 318.421 0.868 0 50 DCAA O=C(CN1CCO[C@H](C(F)(F)F)C1)NCc1ccccn1 71764562 NPRNORWMSKGIBB-NSHDSACASA-N 303.284 0.961 0 50 DCAA CCS(=O)(=O)NCCN1CCC[C@@H]1CN(C(C)=O)C1CC1 328622331 BDKJZZHQRKTZHE-CQSZACIVSA-N 317.455 0.401 0 50 DCAA O=S(=O)(CC1CCOCC1)NC[C@@H]1CCn2ccnc2C1 328614586 ALBVFQDPLJKOCK-CYBMUJFWSA-N 313.423 0.792 0 50 DCAA CN(C)C(=O)[C@H]1CCCN1c1nccc(N[C@H]2CCCOC2)n1 328630591 JOUQUFTWSYDVJB-QWHCGFSZSA-N 319.409 1.125 0 50 DCAA O=C(NC[C@@H]1CCS(=O)(=O)C1)c1scc2c1OCCO2 215395096 GKHOJCPFZZAOFF-QMMMGPOBSA-N 317.388 0.684 0 50 DCAA O=C1C[C@@H](C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)CCN1 153257782 RQMVPPXLTLDCLN-KBPBESRZSA-N 321.421 0.810 0 50 DCAA COc1cccc([C@H]2C[C@H](O)CN2C(=O)C2CN(C(C)=O)C2)c1 281988751 AHGHATSFYTWZGF-GOEBONIOSA-N 318.373 0.808 0 50 DCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)c1c[nH]c(=O)c(Cl)c1 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COC[C@@]12COC[C@@H]1CN(c1nc(=N)[nH]c3c1CCCC3)C2 2356170271 NDPGXDGGMYUKIO-ZBEGNZNMSA-N 304.394 0.867 0 50 DCAA O=C1CNC(=O)N1CCN1C[C@@H](O)C[C@@H]1c1cccc(F)c1 225650598 QJGQVYCFVIIPEC-QWHCGFSZSA-N 307.325 0.485 0 50 DCAA Cc1nn(CC(=O)N2C[C@@H](N)C[C@H]2C(=O)NC(C)C)c(C)c1C 67679074 YSPICTDJKKKFKH-KBPBESRZSA-N 321.425 0.261 0 50 DCAA CCOC(=O)c1cnn2cc(CN3CCC[C@@H]3CO)cnc12 1364688055 MSMPARBRBPHSLV-GFCCVEGCSA-N 304.350 0.863 0 50 DCAA CC(=O)N1CCO[C@@H](CNC(=O)CCc2ccccc2O)C1 67869170 FZZCEFJVQWLMHL-AWEZNQCLSA-N 306.362 0.688 0 50 DCAA COCCN1CCC[C@](O)(CN(C)Cc2cccc(O)c2)C1=O 67947174 JFRXYKPBBMVMPJ-KRWDZBQOSA-N 322.405 0.824 0 50 DCAA Cc1ncsc1CN(C[C@@H]1CCNC1)C(=O)[C@@H]1CNC(=O)C1 435600438 BYHVNCNFIBXCQL-NEPJUHHUSA-N 322.434 0.526 0 50 DCAA CCn1cc(CN(CCO)C(=O)c2ncn(C(C)(C)C)n2)cn1 360468392 MDTKUESYCICCJK-UHFFFAOYSA-N 320.397 0.884 0 50 DCAA CCc1nc(N2CCN(CCOC)CC2)c2cnn(C)c2n1 72150984 ZRGBYHXUKDKFAS-UHFFFAOYSA-N 304.398 0.694 0 50 DCAA CN(C)S(=O)(=O)Nc1ccccc1-n1ccc(C(=O)O)n1 359128606 GOBWZEIFSQAURC-UHFFFAOYSA-N 310.335 0.789 0 50 DCAA O=C(CCn1cnnc1)N1CCC(N2CCC[C@@H](O)C2)CC1 72151986 NZZXHHYBVISWGE-CQSZACIVSA-N 307.398 0.116 0 50 DCAA CCc1c(C)cc(C(=O)N[C@@H]2C=CS(=O)(=O)C2)c(=O)n1C 215754588 OHJJIDVNNGVZLF-SNVBAGLBSA-N 310.375 0.297 0 50 DCAA O=S(=O)(c1ccc(F)cc1F)N1CCN2CCOC[C@@H]2C1 375214475 HRRFVIMCXJEHJB-NSHDSACASA-N 318.345 0.670 0 50 DCAA Cc1nc2ccccc2c(=O)n1CC(=O)N1C[C@@H](F)C[C@H]1CO 332132493 KDNYSJXZEHZCMQ-RYUDHWBXSA-N 319.336 0.636 0 50 DCAA COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1 13233295 ZZORFUFYDOWNEF-UHFFFAOYSA-N 310.335 0.877 0 50 DCAA biogenic,world CCn1cc(NC(=O)C2(n3cccn3)CCNCC2)ccc1=O 261947786 NUMJLZZSNUDECW-UHFFFAOYSA-N 315.377 0.782 0 50 DCAA CNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)O)C2)o1 262016547 LDOGYSZYSYKJKP-QMMMGPOBSA-N 316.335 0.125 0 50 DCAA COCc1ccc(C(=O)N[C@H]2C[C@@H](c3nnc(CO)n3C)C2)o1 219377768 OKXVEVWZAXHGLO-MGCOHNPYSA-N 320.349 0.723 0 50 DCAA Cc1nc(C[C@H]2CCCN(C(=O)CNC[C@H]3CCCO3)C2)no1 237773505 CZBJMVPXVSKLKG-ZIAGYGMSSA-N 322.409 0.928 0 50 DCAA Cc1ccc2nc(CN(C)C(=O)c3cc(=O)[nH]c(=O)[nH]3)[nH]c2c1 215459870 UYOIVYAPCNNSSX-UHFFFAOYSA-N 313.317 0.520 0 50 DCAA O=C(CN1CCC[C@@H]1C(=O)O)NC[C@@H]1Cc2ccccc2O1 238093071 WBOUHHQIXXNAJW-QWHCGFSZSA-N 304.346 0.655 0 50 DCAA CNC(=O)[C@@]1(COC)CCCN1C(=O)Cc1cncc(O)c1 606444929 HKGDZRPSLUSWJZ-HNNXBMFYSA-N 307.350 0.083 0 50 DCAA CN1CCN(C[C@@H]2CCCN(C(=O)CCCC(=O)O)C2)CC1 426500099 LZKCDALKUUCVJX-AWEZNQCLSA-N 311.426 0.727 0 50 DCAA CCn1cnnc1CCNc1cc(C2CC(N)C2)nc(N)n1 222323755 IVWWYSZGSSSCLO-UHFFFAOYSA-N 302.386 0.530 0 50 DCAA CCn1nc(-c2csc(C)n2)nc1C[C@H]1NC(=O)NC1=O 95378232 GTTJNAOCLSIAPT-SSDOTTSWSA-N 306.351 0.480 0 50 DCAA COC(=O)C[C@@H]1C(=O)NCCN1c1nc2c(s1)c(C)nn2C 95519714 FVCQTAOFQZZHPV-MRVPVSSYSA-N 323.378 0.206 0 50 DCAA CC1(C)CN(C(=O)c2ccnc(-n3cnnc3)c2)C[C@@]1(C)O 91651098 NUAPUHZFOBNLTP-OAHLLOKOSA-N 301.350 0.895 0 50 DCAA COc1cncc([C@H](NC(=O)Cc2c[nH]cn2)[C@H]2C[C@@H](O)C2)c1 244858556 VNHLVZRTFFSRSO-AKWBHNSASA-N 316.361 0.984 0 50 DCAA CCn1ccc(CN2CCO[C@@H](c3nnnn3CCOC)C2)n1 240163559 JBZJFQSAHWGQKP-CYBMUJFWSA-N 321.385 0.109 0 50 DCAA O=C(O)[C@@H]1CN(C(=O)c2ccn(-c3cccc(F)c3)n2)CCO1 299752617 UUFPSZJHIJMCAS-ZDUSSCGKSA-N 319.292 0.937 0 50 DCAA Cc1ccccc1[C@@H](CNC(=O)CNC(=O)N(C)C)N(C)C 534646682 XICZGJWOERHKEW-CQSZACIVSA-N 306.410 0.985 0 50 DCAA COc1ccc(C(=O)N2CCN(c3nc[nH]n3)CC2)c(OC)n1 299782646 UCHFTZDEYWUDQO-UHFFFAOYSA-N 318.337 0.179 0 50 DCAA CC(C)N1C[C@H](C(=O)N2CCc3ncnc(O)c3C2)CCC1=O 299789005 ZLGRYVVDWQLYAH-LLVKDONJSA-N 318.377 0.714 0 50 DCAA Nc1nc(NCCCN2CCCC[C@H]2CO)cc2nncn12 828710846 OTMTVEGOCPEQIN-NSHDSACASA-N 305.386 0.355 0 50 DCAA CNC(=O)c1ccc(CNC(=O)N(C)C[C@@H]2COCCO2)cc1 584900282 CEDPRFMJCSIZRF-CQSZACIVSA-N 321.377 0.603 0 50 DCAA Cc1nc2sccn2c1C(=O)NCCc1noc(CO)n1 670448970 PXNSPJBXWFQBOB-UHFFFAOYSA-N 307.335 0.552 0 50 DCAA Cc1cc(CN(C)c2cncc(C(=O)N3CCOCC3)n2)no1 670455240 ATSFETGEHDJXAM-UHFFFAOYSA-N 317.349 0.882 0 50 DCAA N[C@H]1COC[C@H]1Oc1cnn(Cc2noc3c2CCCC3)c1 685942996 PPJKTTIAVAKQPZ-SWLSCSKDSA-N 304.350 0.903 0 50 DCAA CN1CCN(C(=O)CC(C)(C)O)C[C@@H]1c1nc(C2CC2)no1 408035205 KCDWFTXXUOFFRX-LLVKDONJSA-N 308.382 0.923 0 50 DCAA COCCN1C[C@@H](C(=O)Nc2n[nH]c(C3CCC3)n2)CC1=O 184592633 GSNQJDJJXDWAOL-JTQLQIEISA-N 307.354 0.506 0 50 DCAA O=S1(=O)CCc2nnc([C@@H]3Cc4ccccc4O3)n2CC1 630950652 DRKLZPAVTYQHDR-LBPRGKRZSA-N 305.359 0.925 0 50 DCAA CO[C@@](C)(C(=O)O)C(=O)NCc1ccc(S(C)(=O)=O)s1 663044706 SDEIXWXKWUWCTC-LLVKDONJSA-N 321.376 0.258 0 50 DCAA CN(C[C@@H]1CCc2nccn2C1)C(=O)N[C@@H]1CCN(C)C1=O 583614792 HCCWZCYLZBXHKB-NWDGAFQWSA-N 305.382 0.318 0 50 DCAA CCc1ccccc1S(=O)(=O)N[C@](C)(CO)C(=O)OC 585114600 LMMMQUBTCYXDLZ-CYBMUJFWSA-N 301.364 0.451 0 50 DCAA CO[C@@H]1CN(S(=O)(=O)Cc2ccccc2)C[C@H]1c1cnn[nH]1 657144844 UPMZOJRRUWBZTJ-GXTWGEPZSA-N 322.390 0.749 0 50 DCAA CN(C)[C@H]1CN(C(=O)c2ccnc(C3CCCC3)n2)C[C@@H]1O 1615056565 TXSGGXCKSOBIIS-KBPBESRZSA-N 304.394 0.881 0 50 DCAA CC(C)(C)[C@H](O)CNC(=O)NCc1ccnc(-n2cncn2)c1 1615054952 DANRVZYEATVOTP-GFCCVEGCSA-N 318.381 0.869 0 50 DCAA CCc1cc(N[C@H]2CS(=O)(=O)C[C@@H]2O)n2nc(C)c(C)c2n1 213090550 RKTJGLJYFIPKLT-RYUDHWBXSA-N 324.406 0.478 0 50 DCAA CN(CC(=O)NC(N)=O)C1CCN(Cc2ccccc2)CC1 114200251 WFARNHSLGWLRBP-UHFFFAOYSA-N 304.394 0.778 0 50 DCAA OCCNc1cc(N[C@@H]2COC[C@H]2Cc2ccncc2)ncn1 1704339333 IVJJEWNJBUBELA-ZIAGYGMSSA-N 315.377 0.945 0 50 DCAA Cc1cc(=O)n(CCN2CCC[C@@]3(CCC[C@H]3O)C2)c(O)n1 1704329723 YOCOLLKNQSQFCS-CJNGLKHVSA-N 307.394 0.884 0 50 DCAA O=C(CCCCc1cccnc1)N1C[C@H]2[C@H](C1)C2(CO)CO 1772708714 BGJLLKSKKDKIRC-GJZGRUSLSA-N 304.390 0.854 0 50 DCAA O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)c2nc[nH]n2)cc1 18284734 WSAKETQGNYZIIH-GFCCVEGCSA-N 315.333 0.966 0 50 DCAA O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)[C@@H]1C[C@@H](O)CN1 238013302 AQIDCCPOESLJME-FOGDFJRCSA-N 310.785 0.153 0 50 DCAA Cc1sc(C(=O)N2C[C@H](C)N[C@H](C)C2)cc1S(N)(=O)=O 153252290 VVUUMIVLDCSKKV-OCAPTIKFSA-N 317.436 0.526 0 50 DCAA CNC(=O)[C@H]1CN(C(=O)C2(c3cccc(OC)c3)CC2)CCO1 376008944 NIULVCJUGSQOIO-CQSZACIVSA-N 318.373 0.700 0 50 DCAA Cc1cc(N2CCN(c3nnnn3C)CC2)nc(C(C)C)n1 590606207 MMONNEDXYIRYLU-UHFFFAOYSA-N 302.386 0.759 0 50 DCAA OC[C@@H]1CSCCN1Cc1cccc(-c2nn[nH]n2)c1F 826509507 XQPCDYCUYNGVAP-SNVBAGLBSA-N 309.370 0.916 0 50 DCAA NS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)O)cc1 863981678 HQXRKMZGKSDWDM-NSHDSACASA-N 312.347 0.413 0 50 DCAA O=C(NCCN1CCCOCC1)c1n[nH]cc1Br 952876049 YDHVIELQLYNGQT-UHFFFAOYSA-N 317.187 0.624 0 50 DCAA Cc1ccc(F)c2[nH]c(C(=O)N3CCN(C(=O)CN)CC3)cc12 1875319266 VJJOJISFJUVQKI-UHFFFAOYSA-N 318.352 0.859 0 50 DCAA O=C1NC2(CN(C(=O)[C@H]3[C@H]4COCC[C@H]43)C2)Nc2ccccc21 1875308213 UUGNDZOUWNZGIH-SCDSUCTJSA-N 313.357 0.663 0 50 DCAA C=CC(=O)N1CCC(C(=O)Nc2nnc3n2CCCC3)CC1 1875365127 WEXJHDXGTPFCOG-UHFFFAOYSA-N 303.366 0.978 0 50 DCAA Cn1nc(C[C@H]2CCCC[C@H]2NC(=O)c2ncc[nH]2)n(C)c1=O 888095032 PVHLLABRFWZMSR-GHMZBOCLSA-N 318.381 0.373 0 50 DCAA CC1(N2CCOCC2)CN(S(=O)(=O)c2cccc(F)c2)C1 1775989651 DQFBEJBZFJOZQC-UHFFFAOYSA-N 314.382 0.921 0 50 DCAA Cc1noc([C@H]2COCCN2C(=O)c2ccc(C(=O)O)cn2)n1 843330988 HIBJXPMSUGQPLC-LLVKDONJSA-N 318.289 0.685 0 50 DCAA Cn1nc(CC(=O)N[C@H]2CNCc3nccn3C2)c2ccccc21 2325786376 GXMOYEMKZYEEQC-LBPRGKRZSA-N 324.388 0.601 0 50 DCAA COc1ccc2c(c1)CC[C@@H]2C(=O)N1CC(OC)(C(N)=O)C1 2325786694 TTYUEZBPLFIXAD-ZDUSSCGKSA-N 304.346 0.438 0 50 DCAA O=C([C@@H]1CNCCC12CCC2)N1CCC[C@]2(CCNC2=O)C1 2325789177 AVFUBBHDJWIQDA-GUYCJALGSA-N 305.422 0.895 0 50 DCAA NC(=O)[C@@]1(O)CCCN(CC(=O)NCCC2=CCCCC2)C1 225480855 CXLSCFYTHOUJBW-MRXNPFEDSA-N 309.410 0.305 0 50 DCAA COc1ccc(OCC(=O)NCCCN2CCN(C)CC2)cc1 20727760 BZBXXMOZQYJTRD-UHFFFAOYSA-N 321.421 0.828 0 50 DCAA O=c1cc(CCc2ccccc2)oc2c1[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O 33830752 CWMIROLCTHMEEO-JJXSEGSLSA-N 318.325 0.227 0 50 DCAA biogenic,in-vitro Cc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)c1 229727548 HPGAQBSVIYYDTN-AHIWAGSCSA-N 313.357 0.909 0 50 DCAA NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCC[C@H](N)C1 150744364 YMMWTUOWGRKBIQ-SNPRPXQTSA-N 301.390 0.943 0 50 DCAA Cc1ncccc1C(=O)O[C@@H](C)C(=O)NCCN1CCOCC1 252499139 RWBMSMQJDJZYDX-ZDUSSCGKSA-N 321.377 0.384 0 50 DCAA CCN1CCN(C(=O)CCc2ccnn2C)C[C@@H]1c1ncc[nH]1 328645972 ZWQQNCAJMPKAKX-CQSZACIVSA-N 316.409 0.981 0 50 DCAA Cc1nnc(CNc2ccnc(N3CCOCC3)n2)n1C1CC1 361054948 DLLJAUBAIHSSPB-UHFFFAOYSA-N 315.381 1.160 0 50 DCAA CO[C@H]1CN(C(=O)CCCN2C(=O)CN(C)C2=O)CC[C@@H]1C 330941685 FTDWAXDUVGTFOL-RYUDHWBXSA-N 311.382 0.544 0 50 DCAA NC(=O)CO[C@@H]1COCC[C@H]1NC(=O)NCCc1ccccc1 219329718 GKLWDPRDUNIXDY-ZIAGYGMSSA-N 321.377 0.188 0 50 DCAA COCCNC[C@@H](O)c1cccc(NC(=O)C(=O)NC(C)C)c1 72446993 BQMHRJYDCKSYGL-CQSZACIVSA-N 323.393 0.419 0 50 DCAA C[C@@H]1CN(C(=O)c2cccc3c2OCO3)CCS(=O)(=O)C1 369011928 VMDSZXOHKKQZQR-SNVBAGLBSA-N 311.359 0.922 0 50 DCAA CC1(C)C[C@@H]1C(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1CCCC1 240540917 GQHBUUUWDXBCOG-GRYCIOLGSA-N 300.424 0.410 0 50 DCAA CCC(=O)c1ccc(OCC(=O)NCCS(C)(=O)=O)cc1 42126031 UPLNWMMDIQOPGB-UHFFFAOYSA-N 313.375 0.819 0 50 DCAA CN(C)C(=O)CN1CCCN(C(=O)c2cc(O)ccc2N)CC1 324305560 QHQKXVHMHRVXFQ-UHFFFAOYSA-N 320.393 0.211 0 50 DCAA 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302.444 0.713 0 50 DCAA CN1CC(=O)N(CC(=O)N2CCN[C@H](c3ccccc3)C2)C1=O 581115865 VTGSXIKTRULMDX-ZDUSSCGKSA-N 316.361 0.054 0 50 DCAA Cc1c(C(=O)NCc2ccncc2O[C@H]2CCNC2)nnn1C 685941121 RUVUHJVNXUQBNF-LBPRGKRZSA-N 316.365 0.189 0 50 DCAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C1=NN2CCCN=C2N1 1362587073 QGCXTPMTXBQLNU-UHFFFAOYSA-N 317.397 0.644 0 50 DCAA CN(C)CC1(O)CCN(C(=O)CCN2CCCCC2=O)CC1 952990394 VBTJPJQNUIVSAC-UHFFFAOYSA-N 311.426 0.304 0 50 DCAA CN1CCN(c2ccc(C(=O)N[C@H]3CCOC[C@@H]3O)cc2)CC1 1565508559 YBMOORTZKUAWDI-HOTGVXAUSA-N 319.405 0.318 0 50 DCAA CCc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@H]1C(N)=O 628833798 IOQAXKFTGVZQSC-ZDUSSCGKSA-N 324.402 0.742 0 50 DCAA O=C1NC(=O)C2(CCC(NS(=O)(=O)c3ccoc3)CC2)N1 671702353 SAPASFJJPYYLBD-UHFFFAOYSA-N 313.335 0.079 0 50 DCAA Cc1ccc2oc(NC3CCN(S(N)(=O)=O)CC3)nc2c1 583652031 YPGJAWRGTATXOL-UHFFFAOYSA-N 310.379 1.216 0 50 DCAA Cc1ccc(NC(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)c(=O)n1C 1614995604 VHZTXJSHBYQQTP-MEBBXXQBSA-N 321.333 0.259 0 50 DCAA 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309.362 0.978 0 50 DCAA CN(C(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)[C@@H]1CCS(=O)(=O)C1 238950237 XGVURVQFZYSRLN-PREPNJAASA-N 313.375 0.155 0 50 DCAA CN1CCC[C@@]2(CCN(C(=O)CSc3nncn3C)C2)C1=O 244594283 DJYDBXBSDZQKGP-AWEZNQCLSA-N 323.422 0.378 0 50 DCAA COCCn1cncc1CNc1cc([C@H]2C[C@@H](N)C2)nc(N)n1 244874720 XGCZQKBAXJFTOT-PHIMTYICSA-N 317.397 0.719 0 50 DCAA NC(=O)c1cc(F)ccc1N1CCN(C(=O)[C@H]2CCOC2)CC1 622244462 UTWVWILVOBUQDG-NSHDSACASA-N 321.352 0.610 0 50 DCAA O=C([C@@H]1C[C@@H](F)CN1CCc1ccncc1)N1CCOCC1 299746479 XRCSDMGNYHASEU-CABCVRRESA-N 307.369 0.895 0 50 DCAA CN(C)C(=O)NCC(=O)NC[C@H]1CC(=O)N(c2ccccc2)C1 299768519 JXYWFEMJSDVNCS-GFCCVEGCSA-N 318.377 0.427 0 50 DCAA CC(C)c1ccc(C(=O)N2CCN3C(=O)OC[C@H]3C2)c(=O)n1C 299763491 XDHANRAPZBOALV-LLVKDONJSA-N 319.361 0.785 0 50 DCAA Cc1nc(N)sc1CC(=O)N1CCN(CCCCO)CC1 584889739 PTFHSSNCLMPQRC-UHFFFAOYSA-N 312.439 0.493 0 50 DCAA CCCN(C[C@@H]1CCCO1)C(=O)NCc1nc(C(N)=O)no1 584888020 AGWCNWZQYBHVCK-VIFPVBQESA-N 311.342 0.269 0 50 DCAA 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308.382 0.406 0 50 DCAA Cc1ccc2nc(CNC(=O)CC[C@H]3NC(=O)NC3=O)cn2c1 92045615 MDRBNTIBUIAKKL-LLVKDONJSA-N 315.333 0.247 0 50 DCAA Cc1cccnc1NCCNC(=O)[C@H]1CC(=O)N(C2CC2)C1 91756844 HUSWAFOVLFHBPE-LBPRGKRZSA-N 302.378 0.929 0 50 DCAA NC(=O)[C@@H](O)C1CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 299749650 LDKMUCSOOGQVEX-KGLIPLIRSA-N 312.797 0.932 0 50 DCAA CC(C)CN1C[C@@H](C(=O)NC2CCS(=O)(=O)CC2)CC1=O 613759009 NBQHMNSFCGHAAY-NSHDSACASA-N 316.423 0.184 0 50 DCAA Cc1nc(-c2cccc(C(=O)N[C@@H]3CCN(C)C3=O)c2)nn1C 299783971 KSGUPPDFDLYIRU-CYBMUJFWSA-N 313.361 0.751 0 50 DCAA Cc1csc([C@@H](C)CNC(=O)Cn2cc(C)c(O)nc2=O)n1 299778351 OSRXAKLARJJMOW-QMMMGPOBSA-N 322.390 0.942 0 50 DCAA Cc1cc(O)nc(CCNC(=O)CN2CCCCCC2=O)n1 299794231 JDMQRBSKYXQCIV-UHFFFAOYSA-N 306.366 0.552 0 50 DCAA CC(=O)N1CC[C@]2(O)CCN(C(=O)c3c(C)ncn3C)C[C@@H]2C1 299785796 KQBKDMWZCPFOLQ-BBRMVZONSA-N 320.393 0.174 0 50 DCAA CN1CCCN(C(=O)N[C@@H]2CCCN(c3cnccn3)C2)CC1 584902089 SEFXHDWBHKZNNZ-CQSZACIVSA-N 318.425 0.793 0 50 DCAA 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QVXXTLFHRGMIHD-RDBSUJKOSA-N 310.346 0.803 0 50 DCAA in-vitro O=C(Cn1cccn1)NCC1CCN(c2cnccn2)CC1 952972622 GFMNRXYIGWMPLB-UHFFFAOYSA-N 300.366 0.706 0 50 DCAA C[C@]1(O)CCN(C(=O)c2ccccc2N2CCOCC2)C[C@H]1O 1565510830 GNSOWLPYJOBLSP-WBVHZDCISA-N 320.389 0.481 0 50 DCAA O=C(O)[C@@H]1COCCN1C(=O)c1ccn(-c2ccc(F)cc2)n1 268995038 VEBVMIAKJGONJO-ZDUSSCGKSA-N 319.292 0.937 0 50 DCAA Cc1noc(C)c1S(=O)(=O)N1CCO[C@H]2CCN(C)C[C@@H]21 408027839 MVEVMYUTIFUNSB-RYUDHWBXSA-N 315.395 0.385 0 50 DCAA O=C1N[C@@H](C(F)(F)F)CC[C@@H]1C(=O)N1CCc2n[nH]cc2C1 408022812 VNOZLNUIBIYPOF-WCBMZHEXSA-N 316.283 0.752 0 50 DCAA CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2COCCO2)C1 170626271 NKUYVRXHLKDOOF-STQMWFEESA-N 312.410 0.803 0 50 DCAA Cn1nnnc1CCNC(=O)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1 637294988 MKDSXBACDOHGPF-JQWIXIFHSA-N 308.386 0.352 0 50 DCAA Cc1cccn2cc(CC(=O)NC[C@H]3CNCCCO3)nc12 579014102 NJCRZZKVGOQIKP-CQSZACIVSA-N 302.378 0.680 0 50 DCAA CN(C)C(=O)C[C@@]1(O)CCCN(Cc2cnc(N(C)C)n2C)C1 643753782 MQRFGOHGJAJOIJ-INIZCTEOSA-N 323.441 0.291 0 50 DCAA COC(=O)C1(S(=O)(=O)NCC(C)(C)CCCO)CCC1 585115928 ZVJAJWUHEUXPDB-UHFFFAOYSA-N 307.412 0.800 0 50 DCAA CN(C)c1noc(CN2CCCN(c3cccnn3)CC2)n1 192711414 OIHUMYMRCYKNQE-UHFFFAOYSA-N 303.370 0.638 0 50 DCAA CC(C)(C)OC(=O)N[C@@]1(CC(=O)O)CCCS(=O)(=O)C1 686790864 XHGAZRSMGSVNFW-GFCCVEGCSA-N 307.368 0.933 0 50 DCAA Cn1cc(S(=O)(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)cn1 1615058734 QFOIBXQQHHRNIT-NXEZZACHSA-N 324.328 0.240 0 50 DCAA CC[C@H](C)[C@H](C(=O)NCCNc1ncccn1)n1cnnn1 1615151959 LEBVXRAAQURAQM-WDEREUQCSA-N 304.358 0.279 0 50 DCAA Cc1cc(C(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)nn1C 1529117843 ATQFTGNCZCUNQC-BXUZGUMPSA-N 301.350 0.194 0 50 DCAA CN(C)CCOc1ccc(CN2CC[C@H](C(=O)O)[C@H](O)C2)cc1 1704330966 MNKSNXBJHPMFGA-JKSUJKDBSA-N 322.405 0.894 0 50 DCAA COc1cccc2c1OC[C@@H](NCCSc1nnnn1C)C2 14971833 MVOCKDABUSBBDN-NSHDSACASA-N 321.406 0.904 0 50 DCAA CCC[C@@]1(CO)CN(C(=O)c2ccc3ncnn3c2)CC[C@@H]1O 1857713919 XLUPOYWOHJRXAL-BBRMVZONSA-N 318.377 0.715 0 50 DCAA COC(=O)c1cccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3C)n1 1875243390 FRMSFQVJYATHTB-YPMHNXCESA-N 319.361 0.157 0 50 DCAA CC(=O)NC[C@@H]1CN(C(=O)c2nn(C)c(C)c2Cl)CCO1 622379540 YFZHJUABHBSKFP-SNVBAGLBSA-N 314.773 0.359 0 50 DCAA COC(=O)[C@@H]1C[C@H](O)CCN1Cc1c(CO)cnc(C)c1O 247973617 UIACKXHZOBWZAV-YPMHNXCESA-N 310.350 0.086 0 50 DCAA COc1cc(S(=O)(=O)N2CCO[C@@H](CN)C2)ccc1F 374086189 GVAJVMXSUXJBHB-VIFPVBQESA-N 304.343 0.183 0 50 DCAA CCn1nc(C)c(CNC(=O)N2CC[C@H](N3CCCC3=O)C2)n1 823758325 ZVXWFGWWANNKRU-LBPRGKRZSA-N 320.397 0.513 0 50 DCAA CS(=O)(=O)NCCn1cc([C@H](O)c2ccc(F)cc2)nn1 864652299 KMIAJBALBFJKRJ-GFCCVEGCSA-N 314.342 0.048 0 50 DCAA O=C(CC1(O)CCC1)N[C@H]1CCOC[C@H]1Nc1ccncn1 952888557 LJSJGHRJWJHWDL-NWDGAFQWSA-N 306.366 0.467 0 50 DCAA O=C1CCCN1CCONC(=O)[C@]12OCCC[C@@H]1C2(F)F 1875268117 XVUHGFFCQQNLTQ-JOYOIKCWSA-N 304.293 0.471 0 50 DCAA O=C(N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O)c1ncc[nH]1 1875403140 QUYAQGWWIXPKBS-JMJZKYOTSA-N 309.757 0.829 0 50 DCAA Cc1c(C(=O)N[C@H]2CCC(=O)N[C@H]2C)cnn1-c1ccncc1 888092917 NEQCHCSEVCCDAR-HZMBPMFUSA-N 313.361 0.973 0 50 DCAA O=C(N[C@@H]1CCC[C@@H](CO)C1)c1cnc(N2CCOCC2)nc1 2356158479 LWTHOKQVCIJRJS-TZMCWYRMSA-N 320.393 0.594 0 50 DCAA O=C(Nc1ccc(S(=O)(=O)NCCO)cc1)N1CCCC1 6702063 XCASXYDGNQWLJW-UHFFFAOYSA-N 313.379 0.585 0 50 DCAA NS(=O)(=O)c1cccnc1N1CCO[C@@H](c2ccco2)C1 133390929 CYLUWDVEZUWNQS-LLVKDONJSA-N 309.347 0.900 0 50 DCAA O=C(NCCS(=O)(=O)C1CC1)c1ccc2nccnc2c1 1436752929 CQSQDEOVZDHVTH-UHFFFAOYSA-N 305.359 0.937 0 50 DCAA CCn1c([C@@H]2CCCN(c3cc(C)nc(N)n3)C2)nn(C)c1=O 67965782 ACLDHDSTDQJVCS-LLVKDONJSA-N 317.397 0.666 0 50 DCAA CC[C@H](C)[C@H](NC(C)=O)C(=O)N1CCO[C@@H]2CCN(C)C[C@H]21 408093321 OBYSCACUJXYZJM-MYPMTAMASA-N 311.426 0.469 0 50 DCAA CN1CCC(N2CCC(NC(=O)c3cn(C)cn3)CC2)CC1 179223109 XAQKKAPMCJPXIO-UHFFFAOYSA-N 305.426 0.709 0 50 DCAA O=C(O)CNc1ccccc1C(=O)N1CCS(=O)(=O)CC1 65462878 OPPJOEPQMGTMRD-UHFFFAOYSA-N 312.347 0.054 0 50 DCAA CN(C)CCN1C[C@@H](C(=O)NCCc2cccnc2)CCC1=O 67649787 FWLJWAIPQMZJRJ-HNNXBMFYSA-N 318.421 0.541 0 50 DCAA C[C@@H](Nc1ccc(S(N)(=O)=O)cn1)c1nnc2n1CCCC2 357430392 APWVBTCGMCNILK-SECBINFHSA-N 322.394 0.830 0 50 DCAA CN1CC2(CCN(C(=O)c3ncccc3O)CC2)OCC1=O 214957168 YLKIJMBLGAMBCH-UHFFFAOYSA-N 305.334 0.251 0 50 DCAA Cc1nc2n(c1C)CCN(CC(=O)N1CCC[C@@H](C(N)=O)C1)C2 364729671 YAGPGQXLGJVVSR-CYBMUJFWSA-N 319.409 0.039 0 50 DCAA C[S@@](=O)C1(C(=O)NC[C@@H]2Cc3ccccc32)CCNCC1 602446462 CRGGCRYBGPSXRS-YEJXKQKISA-N 306.431 0.943 0 50 DCAA Cc1cc2c(cc1C(=O)N1CC[C@](O)(CN(C)C)C1)OCCO2 72172856 BSTLDDYIDVJWMW-KRWDZBQOSA-N 320.389 0.905 0 50 DCAA Cc1nonc1CC(=O)N[C@@H](c1cnn(C)c1)C1CC(O)C1 219719246 WCZBCDMKIZBIIZ-PFMWSLTASA-N 305.338 0.282 0 50 DCAA Nc1nc(C2CC(O)C2)cc(N2CC(N3CCCCC3)C2)n1 219302094 YTPBHMFRWIPYNW-UHFFFAOYSA-N 303.410 0.972 0 50 DCAA CSc1ncc(CNC(=O)[C@H]2NCCc3[nH]cnc32)n1C 72439897 HPQZVBCAMUXGQP-NSHDSACASA-N 306.395 0.368 0 50 DCAA CN(Cc1nnc[nH]1)C(=O)c1ccccc1N1CCOCC1 172620389 DUGGJDYYLPPOFY-UHFFFAOYSA-N 301.350 0.914 0 50 DCAA C[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)c1nncn1C 222931119 DRPFGVWPJYRROD-SNVBAGLBSA-N 312.333 0.402 0 50 DCAA CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2coc(C(N)=O)c2)C1 286260393 FPISCAZWAQQSPL-STQMWFEESA-N 321.377 0.704 0 50 DCAA CCCCOCC(=O)N1CCCn2nc([C@@H](O)CO)cc2C1 221365933 XNLPWOQJKFQBLK-AWEZNQCLSA-N 311.382 0.458 0 50 DCAA Cc1[nH]nc(C(=O)NCCN2CCCC[C@H]2CO)c1Cl 426489530 JUSFSSKLKNAFOF-JTQLQIEISA-N 300.790 0.948 0 50 DCAA COC(=O)CC(=O)COCCN1C(=O)c2ccccc2C1=O 141109784 REMRSOODVLLZCK-UHFFFAOYSA-N 305.286 0.431 0 50 DCAA O=C(NCc1nc(-c2ccccc2)n[nH]1)[C@@H]1CCS(=O)(=O)C1 426734570 WNRFVONWBBIZGG-LLVKDONJSA-N 320.374 0.523 0 50 DCAA Cc1cc(CN(C)C(=O)c2cnc3c(O)cccn3c2=O)on1 426507857 KEMBLWCUIGWSED-UHFFFAOYSA-N 314.301 0.969 0 50 DCAA Cn1ccnc1-c1cn(Cc2ccc(S(N)(=O)=O)cc2)nn1 92077297 LTYZPNLPILCOIU-UHFFFAOYSA-N 318.362 0.374 0 50 DCAA CCc1nnc(N2C[C@H](CO)[C@H](CN(C)CCOC)C2)s1 91616366 BYCTXCWSQJBPGR-VXGBXAGGSA-N 314.455 0.723 0 50 DCAA CN(C)C(=O)c1cncc(N2CCC3(CC2)OCCC[C@@H]3O)n1 91574427 DMSCGILYMDJIHD-ZDUSSCGKSA-N 320.393 0.689 0 50 DCAA Cc1ccccc1[C@@H](C(=O)NCC(=O)NCCC(=O)O)N(C)C 95511475 ACPKZYYHUCNNBM-HNNXBMFYSA-N 321.377 0.305 0 50 DCAA CCn1ncc(Cl)c1C(=O)N[C@]1(CC(=O)O)CCOC1 621538025 DIVOXLZLIODUED-LBPRGKRZSA-N 301.730 0.920 0 50 DCAA C[C@@H](CN(C)CCCN(C)C)NC(=O)c1ccc(C(N)=O)[nH]1 622137727 VKUMSJHBBRVRPP-NSHDSACASA-N 309.414 0.115 0 50 DCAA CC[C@H](C)[C@@H](CO)NC(=O)CCc1nc2nc(C)cc(O)n2n1 252549656 ROJOMCWCWQPYEJ-GXSJLCMTSA-N 321.381 0.594 0 50 DCAA COC[C@@H]1CCCN1S(=O)(=O)NCc1nccn1C(C)C 534649962 KNPONMPPUHGEDU-LBPRGKRZSA-N 316.427 0.909 0 50 DCAA COc1ccc2nc(CCNC(=O)[C@@H]3COCCO3)[nH]c2c1 299776775 HFCTUEJYJQFDOF-ZDUSSCGKSA-N 305.334 0.646 0 50 DCAA CCCn1cc(S(=O)(=O)NCCN=c2cc[nH]cc2C)cn1 823033094 LVQUZTLMFDCPSE-UHFFFAOYSA-N 323.422 0.809 0 50 DCAA CC(C)(C)NC(=O)CN1CCN(C(=O)c2cccc(O)n2)CC1 584887279 UMJVTERQQLFNSW-UHFFFAOYSA-N 320.393 0.460 0 50 DCAA CNC(=O)c1noc(CNC(=O)COCc2ccccc2)n1 584887344 YQLUWBQNDCOLBC-UHFFFAOYSA-N 304.306 0.262 0 50 DCAA O=C(Cn1c(=O)oc2ccccc21)N1CCN2C(=O)OC[C@@H]2C1 952971838 MOIVIPHLHVDDAW-JTQLQIEISA-N 317.301 0.258 0 50 DCAA CC[C@]1(C)COCCN1C(=O)C1CCN(S(C)(=O)=O)CC1 408090434 UYGQJJDJYCVDQJ-CQSZACIVSA-N 318.439 0.686 0 50 DCAA CCO[C@H]1COCC[C@@H]1NC(=O)c1cccc(-n2cnnc2)n1 1565526025 WKUFWFLARVMWAH-AAEUAGOBSA-N 317.349 0.586 0 50 DCAA CN1CCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)CC1 631271845 KNEQDEXYSLALPE-UHFFFAOYSA-N 312.373 0.730 0 50 DCAA CCO[C@@]1(CS(=O)(=O)N2CC[C@H](O)C(C)(C)C2)CCOC1 641446403 HMAACSVNEMGVCW-JSGCOSHPSA-N 321.439 0.605 0 50 DCAA CC(C)N(C)CC(=O)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53 579545907 FQTYPCJSNLQYJE-KTQZXTJLSA-N 304.434 0.952 0 50 DCAA O=C(CN1CCCC[C@H](O)C1=O)Nc1nc2ccccc2[nH]1 644285371 OYWIWAPFFBQOEK-LBPRGKRZSA-N 302.334 0.875 0 50 DCAA NC(=O)CN1CCN([C@H]2CCc3ccccc3NC2=O)CC1 191898503 UBTORQCNMRVVTJ-AWEZNQCLSA-N 302.378 0.043 0 50 DCAA COc1ncc(C(=O)NS(=O)(=O)c2cc(C)oc2C)cn1 776567397 TUXDZFOXPVLANL-UHFFFAOYSA-N 311.319 0.814 0 50 DCAA COc1cc(F)c(S(=O)(=O)N(C)C2COC2)cc1OC 1615587200 VDCVLGKXPRGGBW-UHFFFAOYSA-N 305.327 0.862 0 50 DCAA OC1CCN(c2cc(NCCSc3cnn[nH]3)ncn2)CC1 1529187454 SQGMXCJWMVTRJY-UHFFFAOYSA-N 321.410 0.760 0 50 DCAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)/C=C\C(=O)O)cc1 4464067 XNJBIHVSRVILJD-SREVYHEPSA-N 312.303 0.091 0 50 DCAA CNC(=O)C[C@H]1CN(C(=O)NCCCc2ccco2)C[C@@H]1O 1857529091 RKECHOJCIDYLRU-AAEUAGOBSA-N 309.366 0.351 0 50 DCAA CN(C)C(=O)c1ccc(N2CCc3c(O)ncnc3C2)nn1 1857672411 CBLOBRXPBDWMHF-UHFFFAOYSA-N 300.322 0.237 0 50 DCAA CN(C)C(=O)C[C@H]1CN2C[C@H](Nc3ccncn3)C[C@H]2CO1 1857722846 PUPRJBFPBWDIIY-AGIUHOORSA-N 305.382 0.209 0 50 DCAA O=C(c1ccc(-n2cccn2)cc1)N1CC[C@H](CO)[C@H](O)C1 568466367 KSNXUPJOZDDYTG-UKRRQHHQSA-N 301.346 0.688 0 50 DCAA COCCn1nnnc1NC(=O)[C@@H]1CCc2ccccc2O1 906293651 GLTPTAPTVSRZGZ-LBPRGKRZSA-N 303.322 0.652 0 50 DCAA C[C@@H]1NC(=O)[C@H](C)N(C(=O)c2ccc(-n3cnnn3)cc2)[C@H]1C 911796755 SODHBODYYFJFCO-DCAQKATOSA-N 314.349 0.400 0 50 DCAA CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@H]1CNCCO1 818610961 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1822121 SQMXFODMVWYJRA-UHFFFAOYSA-N 318.377 0.427 0 50 DCAA CS[C@H]1CN(CC(=O)N(C)CC(F)(F)F)C[C@@H]1N(C)C 342584258 QXGARUQJHHTVMO-UWVGGRQHSA-N 313.389 0.985 0 50 DCAA CCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1sc(OC)nc1C 67514458 AVRGIPMFCIATKI-BDAKNGLRSA-N 312.395 0.138 0 50 DCAA COCCN1CCC[C@@](O)(CNCc2c(C)noc2C)C1=O 67841547 MBCSUZSDOIIXFZ-OAHLLOKOSA-N 311.382 0.381 0 50 DCAA C[C@H]1CN(C2CCN(C[C@H](C)C(=O)OCCO)CC2)CCO1 229852621 VUJICXWPYPGXSV-KBPBESRZSA-N 314.426 0.343 0 50 DCAA O=C1CCCN1CCn1cnc2sc3c(c2c1=O)CCNC3 77323258 RIXHHTZSPJNPDW-UHFFFAOYSA-N 318.402 0.726 0 50 DCAA O=C(C[C@@H]1COCCN1)NCc1nncn1-c1ccccc1 262040009 GCVJLRYWJYYQLI-GFCCVEGCSA-N 301.350 0.262 0 50 DCAA Cc1oc(CN(C)C(=O)CN2CSCC2=O)cc1C(=O)O 262475363 JWOQTBKRLNTWLR-UHFFFAOYSA-N 312.347 0.778 0 50 DCAA O=C1C[C@H](NCc2ccncc2)CN1CCN1CCOCC1 172697022 BHOXOBPWLBFHFE-HNNXBMFYSA-N 304.394 0.104 0 50 DCAA CC(C)Cn1cc(C(=O)N2CC[C@](O)(c3c[nH]nn3)C2)cn1 284609005 MAAJLEVDAZQMEY-CQSZACIVSA-N 304.354 0.391 0 50 DCAA Cc1ccn(CC(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)n1 220043236 FBPCVHYNQKTPCO-HGMXIMQMSA-N 303.366 0.553 0 50 DCAA Cn1ccnc1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccn1 220107802 JPECAKGDWRNOTR-ZIAGYGMSSA-N 316.361 0.919 0 50 DCAA Cc1cc(C[C@H](C)NC(=O)Cc2c(C)nc(C)[nH]c2=O)[nH]n1 220610295 GXHQUVDUJZNGOB-QMMMGPOBSA-N 303.366 0.708 0 50 DCAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cn1ccc2ccccc2c1=O 287128331 YKJMZUIPPBZWHD-YPMHNXCESA-N 317.320 0.426 0 50 DCAA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)CCN1CCOCC1)C2 220244780 GDSLNBIQCBCZSO-CYBMUJFWSA-N 322.409 0.391 0 50 DCAA CCN(Cc1nc(C(C)C)no1)C(=O)CC[C@@H]1NC(=O)NC1=O 222913903 UMZLEWUFSXCWPW-VIFPVBQESA-N 323.353 0.530 0 50 DCAA COCCOCC(=O)N[C@H]1CCCCN(C(=O)N(C)C)C1 82097796 FSPZLYDXEJVGMK-LBPRGKRZSA-N 301.387 0.302 0 50 DCAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)CN1C(=O)CN(C)C1=O 330980452 PHHSQAKIALTURE-UHFFFAOYSA-N 321.381 0.560 0 50 DCAA Cc1cccc([C@H](NC(=O)CN2CCN(C)C2=O)C(=O)O)c1 426641399 QYMCZMDQYPRQSJ-ZDUSSCGKSA-N 305.334 0.604 0 50 DCAA Cc1cc(C(=O)NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cs1 238997456 AHCCMFSQBMPLSK-GWOFURMSSA-N 306.343 0.864 0 50 DCAA CCS(=O)(=O)CCNC(=O)c1cnc(-c2cccnc2)nc1 97797280 BKFTWXBGJFYFHQ-UHFFFAOYSA-N 320.374 0.703 0 50 DCAA COCCC[C@@]1(CO)CCCN(C(=O)N2CCN(C)CC2)C1 91829156 WTJBFJGUQNQWAA-INIZCTEOSA-N 313.442 0.855 0 50 DCAA CC[C@H](C)[C@@H](CO)NC(=O)Cn1cnc2ccsc2c1=O 230216750 IYHLHGAGAYQRLN-GXSJLCMTSA-N 309.391 0.981 0 50 DCAA Cc1ccc2nc(CNC(=O)CN(C)C3CCNCC3)cn2c1 299774488 JJMCNERUELEDSY-UHFFFAOYSA-N 315.421 0.943 0 50 DCAA Cc1cc2c(N[C@@H]3C[C@H]4C(=O)NCC(=O)N4C3)ncnc2s1 825151508 NRUNEPFPBOGKNB-SCZZXKLOSA-N 317.374 0.511 0 50 DCAA CN1CCN(C(=O)CC(C)(C)O)C[C@H]1c1nc(C2CC2)no1 408035214 KCDWFTXXUOFFRX-NSHDSACASA-N 308.382 0.923 0 50 DCAA NS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCc3cccnc32)C1 408437611 BIJFIXQXZQMDTD-VXGBXAGGSA-N 309.391 0.391 0 50 DCAA CC(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](C)O 170624212 QWGPXALLLFHITB-SECBINFHSA-N 309.370 0.262 0 50 DCAA COC1CCC(Nc2nc3c(c(O)nc(=O)n3C)n2C)CC1 665735849 AKJUOQQGDVOHKE-UHFFFAOYSA-N 307.354 0.742 0 50 DCAA COC(=O)c1cc(S(=O)(=O)NCC(C)(C)CCCO)on1 585115497 DHWVIMPAJBDRSV-UHFFFAOYSA-N 320.367 0.538 0 50 DCAA CCS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C)C2(CO)CC2)C1 585113621 ZJHMZPDINHYADF-NEPJUHHUSA-N 318.439 0.325 0 50 DCAA C=CC(=O)Nc1cccc(C(=O)N2CCN3CCOC[C@H]3C2)c1 867384125 QMESPKUXECGTTQ-OAHLLOKOSA-N 315.373 0.968 0 50 DCAA COCCN(CC(=O)N(C)C)S(=O)(=O)C[C@@H]1CCC[C@H]1C 1615613157 GBRORAJEMUAHIG-OLZOCXBDSA-N 320.455 0.789 0 50 DCAA CC(C)N1CC[C@@H](NS(=O)(=O)C[C@@H]2OCCC2(C)C)C1=O 1615056412 WZPPLFZITYXGKS-NEPJUHHUSA-N 318.439 0.730 0 50 DCAA Cc1nnc(CN2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)s1 1704303074 IOEZAPBPSZSUCE-QWHCGFSZSA-N 313.423 0.713 0 50 DCAA Cc1cc(C[C@@H]2CN(C(=O)c3cnc(N)s3)C[C@H]2O)n[nH]1 1704344146 OKHFQYBSWKDXEN-PSASIEDQSA-N 307.379 0.432 0 50 DCAA NC(=O)[C@H]1CC[C@@H]1C(=O)Nc1cnn(-c2ncccc2F)c1 1857532494 FQHXPGBKFUHSCW-UWVGGRQHSA-N 303.297 0.856 0 50 DCAA NC(=O)c1cc(N2CCO[C@]3(CCNC3)C2)nc2ccccc12 1857674406 HAXLLWKLKWRKKS-KRWDZBQOSA-N 312.373 0.902 0 50 DCAA Cc1ccc2nc[nH]c(=NCc3nc(-c4cnccn4)n[nH]3)c2n1 1857701831 QSEZSZURFQOOFV-UHFFFAOYSA-N 319.332 0.942 0 50 DCAA Cc1cc(C)c(CC(=O)N[C@H]2CO[C@@H]3[C@H](O)CO[C@H]23)c(C)c1 1875247124 QXUPYORIKNZESD-XOSAIJSUSA-N 305.374 0.798 0 50 DCAA CCOC(=O)[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)=O 118098191 XRQLYHSMCYDJQX-WCBMZHEXSA-N 316.354 0.537 0 50 DCAA in-vitro C[C@H]1CN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CCN1 155229954 LZAQCKNHWBQLJV-JTQLQIEISA-N 316.810 0.934 0 50 DCAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2cnn(-c3ccc(F)cc3)n2)C1 583619522 CMNUNVRRLMYJMC-QWHCGFSZSA-N 320.324 0.628 0 50 DCAA COC(=O)/C=C/CNC(=O)c1csc(S(C)(=O)=O)c1 1875273303 NMZOPFSFMZEIDZ-ONEGZZNKSA-N 303.361 0.611 0 50 DCAA CNS(=O)(=O)CCn1cc(Cn2cnc3ccccc32)nn1 1875282807 SUYURPIFIPCWFJ-UHFFFAOYSA-N 320.378 0.225 0 50 DCAA CC[C@@H](NC(=O)C(=O)N1CCNNCC1)c1ccccc1OC 1875286645 YWCZKNZRTOXCDU-CYBMUJFWSA-N 320.393 0.199 0 50 DCAA O=C(c1[nH]nc2ncnc(O)c12)N1CC2(CCC2)[C@](F)(CO)C1 1875341654 BEMORFQDVMHSSS-CQSZACIVSA-N 321.312 0.385 0 50 DCAA O=C(C[C@@H]1CCCCO1)N1CC2(COC2)[C@](F)(C(=O)O)C1 888098278 DYKHKWAPYVDJCL-IINYFYTJSA-N 301.314 0.597 0 50 DCAA CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)C(F)=C3CCCC3)C2)C1 888098379 JUGMLYPBJJMFBO-NSHDSACASA-N 323.368 0.589 0 50 DCAA COC(=O)c1ncsc1S(=O)(=O)N[C@@H]1CCC[C@H]1CN 253415958 GGBVVEZHKHQVQN-JGVFFNPUSA-N 319.408 0.335 0 50 DCAA O=C(O)c1ccc(F)c(S(=O)(=O)N2CCCNCC2)c1 48823071 CPHIFODNBZQFER-UHFFFAOYSA-N 302.327 0.508 0 50 DCAA Cn1cc([C@H](N)C(=O)N[C@H]2C[C@@H](C(=O)O)c3ccccc32)cn1 2325829356 HJYPLFGAZGMJQB-RDBSUJKOSA-N 314.345 0.849 0 50 DCAA O=C(C[C@H]1NCCC[C@H]1O)Cn1cnc2ccccc2c1=O 1571581 FWVHWDSCPKXMDB-HUUCEWRRSA-N 301.346 0.469 0 50 DCAA biogenic,in-vitro COc1ccccc1/C=C/CN1CCNC(=O)[C@@H]1CC(=O)O 1926580 ZBXZZODSQINRIV-BPJJOFIESA-N 304.346 0.984 0 50 DCAA Cc1nc2cc(CNC(=O)CCc3nc(O)n[nH]3)ccc2n1C 2356169595 DKQDLDPTIBTPDJ-UHFFFAOYSA-N 314.349 0.954 0 50 DCAA CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(N)=O)C2)cc1 4778329 UECYTTVGGRQEML-NSHDSACASA-N 312.391 0.971 0 50 DCAA COC(=O)c1cc2occc2n1C[C@H](O)CN1CCOCC1 25758189 PUSYXRLDKZFDPR-LLVKDONJSA-N 308.334 0.714 0 50 DCAA O[C@@H]1CO[C@H](Oc2ccc(Br)cc2)[C@H](O)[C@@H]1O 1231724 RYMCGIWYPIFYRA-GWOFURMSSA-N 305.124 0.267 0 50 DCAA biogenic CN(CCn1cccn1)C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 171880451 PDWNTUZIUJZQHD-VHSXEESVSA-N 318.299 0.799 0 50 DCAA Cn1nc(C(F)(F)F)cc1C(=O)N1CCC[C@](O)(CO)CC1 72151106 UHQMJENXJXLKJZ-GFCCVEGCSA-N 321.299 0.788 0 50 DCAA CN(Cc1ncc[nH]1)C(=O)[C@@H]1COCCN1CC(F)(F)F 329574818 VLFHHFHVHMJUMU-VIFPVBQESA-N 306.288 0.631 0 50 DCAA CO[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1CC1 240555828 GXMNQKCYNLKYOO-ZIAGYGMSSA-N 309.410 0.176 0 50 DCAA Cc1nc(N[C@H]2C[C@H]3CN(C)CCN3C2)c2c(C)nn(C)c2n1 72429140 VRXTZIVRDOEVTK-STQMWFEESA-N 315.425 0.780 0 50 DCAA CC(C)[C@@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)C(=O)O 71334065 KCRRTSPBAVBYCI-OAHLLOKOSA-N 321.377 0.738 0 50 DCAA CCN1CCO[C@H](C(=O)NCc2nnc(C3CC3)n2C2CC2)C1 371951124 ZYLLTDUAVYCHON-ZDUSSCGKSA-N 319.409 0.827 0 50 DCAA C[C@@H]1CCN(CC(=O)NCC(=O)O)CCN1Cc1ccccc1 262210089 JPQOPLWFNGRQPP-CQSZACIVSA-N 319.405 0.784 0 50 DCAA Cc1nc(C2CCN(C(=O)CO)CC2)cc(N2CCOCC2)n1 72425659 LBLIDLVZHGEFKL-UHFFFAOYSA-N 320.393 0.320 0 50 DCAA Cc1cn(CC(=O)N(Cc2nccs2)C2CC2)c(=O)[nH]c1=O 221348449 ZTTUABQGWJYHLB-UHFFFAOYSA-N 320.374 0.493 0 50 DCAA COCc1cccc(CC(=O)N2CCC[C@](O)(C(N)=O)C2)c1 285730147 YGSWTVLGJLUJRP-MRXNPFEDSA-N 306.362 0.214 0 50 DCAA O=C(COc1ccc(-n2cnnn2)cc1)NCc1ccncn1 222977890 SXPPCLQCLFJSDC-UHFFFAOYSA-N 311.305 0.148 0 50 DCAA CCn1ncnc1[C@H](NC(=O)c1ccc2nnnn2c1)C1CC1 426552092 SGKRYGZMAMZMCE-GFCCVEGCSA-N 312.337 0.617 0 50 DCAA CCc1n[nH]cc1C(=O)N1CCC2(CCNC[C@@H]2CO)CC1 97088069 FVLHGVVLJZIHJH-GFCCVEGCSA-N 306.410 0.796 0 50 DCAA Cc1cnn(CCNC(=O)C2CCN(C(=O)C3CC3)CC2)c1 95354986 ORGXDRKQFLQJJO-UHFFFAOYSA-N 304.394 0.956 0 50 DCAA COCC[C@]1(C(=O)O)CCCN(C(=O)c2ccc[nH]c2=O)C1 91519239 YFADJYVQTVOSNJ-OAHLLOKOSA-N 308.334 0.718 0 50 DCAA COC[C@H](c1ccccn1)N(C)C(=O)c1cnc(C)[nH]c1=O 92001878 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0.138 0 50 DCAA Cc1cccc2sc(N3CCN(S(N)(=O)=O)CC3)nc12 891671444 OWHKKAHULVLKGT-UHFFFAOYSA-N 312.420 0.930 0 50 DCAA CN1CCC2(CC1)CCN(C(=O)[C@@H]1NCc3ncncc31)CC2 1775962633 XAIZBHTUGXTZJK-OAHLLOKOSA-N 315.421 0.955 0 50 DCAA O=S(=O)(NC[C@@]1(O)CCCNC1)c1ccc(F)c(F)c1 534637858 QUHKVNLRHVEEAR-GFCCVEGCSA-N 306.334 0.358 0 50 DCAA Cn1nnnc1[C@H]1CN(C(=O)c2n[nH]c3ccccc23)CCO1 2100557203 YGLXHXITTUGSFA-LLVKDONJSA-N 313.321 0.300 0 50 DCAA OCCN(CCO)C[C@H](O)COc1ccc2ccccc2c1 2337725 CTYGHMSAVUCPKO-INIZCTEOSA-N 305.374 0.866 0 50 DCAA CCOc1cccc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1 4749582 VZBTXGIINKWGQY-UHFFFAOYSA-N 312.391 0.803 0 50 DCAA O=[S@](CCN1CCO[C@@H](Cn2cncn2)C1)c1ccccc1 229499137 LHCXILIVVDTNIW-JLCFBVMHSA-N 320.418 0.787 0 50 DCAA CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[C@H](CN)C3)cc21 172212692 UZFCRIZELRSVNJ-GFCCVEGCSA-N 323.418 0.565 0 50 DCAA COC(=O)c1cc(C(=O)OC)c(C(=O)OC)cc1C(=O)OC 122850 QVEIFJBUBJUUMB-UHFFFAOYSA-N 310.258 0.833 0 50 DCAA biogenic,in-vitro C[C@@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccncc1 6525413 WZVHSAYMIIWDAK-YPMHNXCESA-N 311.407 0.930 0 50 DCAA Cc1nc(N(C)C[C@@H](C)N2CCOCC2)c2cnn(C)c2n1 72148291 GDHJJIQWDAKUCK-LLVKDONJSA-N 304.398 0.829 0 50 DCAA O=S(=O)(C[C@H]1CCCO1)NCC1(O)Cc2ccccc2C1 372150717 WOQNFGLMPSNIMX-CQSZACIVSA-N 311.403 0.615 0 50 DCAA O=C1CC[C@H](NC(=O)[C@@H]2[C@H](C(F)(F)F)[C@H]3CC[C@H]2O3)C(=O)N1 333549880 PRKGLXBBKWHGOF-VPSKSJHUSA-N 320.267 0.264 0 50 DCAA Cc1c(C(=O)N2CCC[C@H](C)[C@@H]2CN)nnn1C1CCNCC1 237664250 HJRLTTLPMKKCAS-FZMZJTMJSA-N 320.441 0.710 0 50 DCAA O=C(O)[C@H]1CN(C(=O)CCc2nc(-c3ccco3)no2)CCO1 262992987 OQOAIFNOMXIEOL-SNVBAGLBSA-N 321.289 0.574 0 50 DCAA CCNc1nc(C(=O)NC[C@@H]2CCCCN2CCO)cs1 452391836 QMOOTJFZQKWQCS-NSHDSACASA-N 312.439 1.152 0 50 DCAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(C(=O)c2n[nH]c3c2CCC3)C1 284632080 QNWVFNDLLGHWFT-SKDRFNHKSA-N 316.365 0.927 0 50 DCAA Cc1cc(NC(=O)CCN2CCO[C@@H]3CCN(C)C[C@H]32)no1 284887107 QYQIXKHMOVNMBK-CHWSQXEVSA-N 308.382 0.717 0 50 DCAA CCO[C@H]1CN(C(=O)CCn2nc(C)c(C(C)=O)c2C)C[C@@H]1O 222539439 WVWVSQAQCWHRKC-KBPBESRZSA-N 323.393 0.701 0 50 DCAA CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)CCc1cnccn1 222411173 IAEGXRGLHWWAKC-HUUCEWRRSA-N 322.409 0.261 0 50 DCAA O=C(NCCC(=O)N1CC(=O)N(C2CC2)C1)c1cccs1 329835753 HMLWUZGUPIRQKA-UHFFFAOYSA-N 307.375 0.659 0 50 DCAA Cc1ncc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)[nH]1 336924149 TWSLAELVHVCFEW-UHFFFAOYSA-N 308.363 0.338 0 50 DCAA CCn1ncc(C(=O)N[C@H]2CN(CCO)C[C@@H]2C2CC2)c1C 91381967 SZYFKKKBZXNAHV-CABCVRRESA-N 306.410 0.644 0 50 DCAA CC(C)Cc1cc(C(=O)N2C[C@H](C3CC3)[C@@H](N)C2)nc(=O)[nH]1 91664019 QAASBAIDCQYKCP-OLZOCXBDSA-N 304.394 0.778 0 50 DCAA COc1cc(N2CCC(N3CCC[C@@H](O)C3)CC2)nc(N)n1 95531597 HUIPANCJLQAZPE-GFCCVEGCSA-N 307.398 0.493 0 50 DCAA CCN(CC)C(=O)[C@@H]1CCCN(C(=O)NCCn2cncn2)C1 534656125 YTWRRQHKFMOHKC-CYBMUJFWSA-N 322.413 0.568 0 50 DCAA CCn1ncnc1CN1C[C@@H](c2c[nH]nn2)[C@@H](CC(=O)O)C1 299781950 IPXCXYHOVKEUBZ-VHSXEESVSA-N 305.342 0.106 0 50 DCAA CCCc1cc(C(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)[nH]n1 299789990 ALRPFOJISWQUOU-KBPBESRZSA-N 316.365 0.940 0 50 DCAA CN(C)c1nsc(N2CC[C@H]3[C@H](C2)OCc2cnnn23)n1 299802483 WZHWVDYGSHYSTK-UWVGGRQHSA-N 307.383 0.546 0 50 DCAA C[C@H](Cn1cncn1)C(=O)N1CCC(N2CCSCC2)CC1 820621538 WTLBLOGEBHHXJU-CYBMUJFWSA-N 323.466 0.954 0 50 DCAA CN1CC[C@@](C)(CNS(=O)(=O)c2cc(C(N)=O)cs2)C1 823755054 VTCVONMCKSAIBG-LBPRGKRZSA-N 317.436 0.467 0 50 DCAA COc1ccc2nc(CNC(=O)CCn3cnnn3)[nH]c2c1 584884977 YAZYUFMTXQVCLM-UHFFFAOYSA-N 301.310 0.265 0 50 DCAA CNC(=O)[C@H]1CC(=O)N(C2CN(C(=O)C3=C(C)CCC3)C2)C1 685942804 QTDJQVVNGMWICE-NSHDSACASA-N 305.378 0.292 0 50 DCAA CC[C@H](C(=O)NCC1(CN2CCN(C)CC2)CC1)N(C)CC 952965625 SJCBJVBQPFGIKL-OAHLLOKOSA-N 310.486 0.861 0 50 DCAA Cn1cc([C@@H]2C[C@H](C(=O)O)CN(C(=O)C3(O)CCCC3)C2)cn1 1594530911 DDBJIEULDFRLFH-NEPJUHHUSA-N 321.377 0.742 0 50 DCAA CCn1cc(CN(C)C(=O)[C@@H]2CC[C@@H](C(=O)O)N2C2CC2)cn1 630657828 ACGYXEGEIHTAEF-KBPBESRZSA-N 320.393 0.941 0 50 DCAA O=C(CC1OCCCO1)NS(=O)(=O)c1ccccc1F 170619558 YXEMLXGXHFWHMD-UHFFFAOYSA-N 303.311 0.784 0 50 DCAA COC[C@@H](NS(=O)(=O)c1cnn(CC(F)F)c1)C1CC1 187535785 HWSDPPZZKTYRRR-SNVBAGLBSA-N 309.338 0.852 0 50 DCAA CN(C)C(=O)C[C@@]1(O)CCCN(Cc2cnc3cnccn23)C1 643755356 RQRKWHAYPDRKTP-INIZCTEOSA-N 317.393 0.535 0 50 DCAA O=S(=O)(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1ccco1 643771374 QESLMJZIJUWGTF-TUAOUCFPSA-N 300.380 0.546 0 50 DCAA O=C(O)CN1CCCC[C@H](N2CC[C@H](CN3CCCC3)C2)C1=O 643875145 MFNVHUCMEPACLL-CABCVRRESA-N 323.437 0.870 0 50 DCAA Cc1noc2ncnc(N[C@H]3CCN(c4cnn(C)c4)C3=O)c12 192458231 AFYHBZPSPHBEDE-JTQLQIEISA-N 313.321 0.877 0 50 DCAA CCC1(CC)[C@@H](NC(=O)CCCS(N)(=O)=O)C[C@H]1OC 585135666 VGOZGJRUGUXJSP-WDEREUQCSA-N 306.428 0.765 0 50 DCAA O=C(O)/C=C/C(=O)Nc1cccc(NC(=O)/C=C/C(=O)O)c1 96882 SKDIMRRKRVTENP-YDFGWWAZSA-N 304.258 0.845 0 50 DCAA Cc1cc(C)nc(SCC(=O)N2C[C@H]3[C@@H](C2)C3(CO)CO)n1 1772708231 AQWREIMOIBYSOO-TXEJJXNPSA-N 323.418 0.245 0 50 DCAA CNC(=O)c1cc(S(=O)(=O)N[C@@H](C)COC)ccc1OC 13677729 MAJPHZWXLDZWEU-VIFPVBQESA-N 316.379 0.368 0 50 DCAA CN(CCn1cnc2ccccc21)C(=O)C[C@@H]1NC(=O)NC1=O 1857675638 BPOGPVCVTGDWMY-NSHDSACASA-N 315.333 0.093 0 50 DCAA O=C(c1ccc2nn[nH]c2c1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857725264 ZCHQQYDVSBPVDK-DOMZBBRYSA-N 313.317 0.131 0 50 DCAA Cc1cc(S(=O)(=O)N[C@H]2CCOC[C@@H]2O)c2ncccc2c1 625599368 YDEUZICUCWINAJ-STQMWFEESA-N 322.386 0.971 0 50 DCAA Cc1cc(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2C)nn1C 643801550 MHKZMDZQNRUWDS-OLZOCXBDSA-N 302.382 0.712 0 50 DCAA COCC(=O)N1CCN(C(=O)C(C)(C)c2ccccn2)CC1 253406197 WOYIVJQUNKSYHH-UHFFFAOYSA-N 305.378 0.676 0 50 DCAA Cc1cc(CC(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)n[nH]1 151159669 OQOUTUDFKBUPMX-AWEZNQCLSA-N 320.393 0.501 0 50 DCAA O=C1[C@@H](NC(=O)C2(C(=O)O)CCOCC2)CCCN1C1CC1 1875272547 BIVGMNLDLRQAMQ-NSHDSACASA-N 310.350 0.137 0 50 DCAA NC(=O)c1cn([C@H](C(=O)N2CCCCC2)c2ccccc2)nn1 1875282880 WSWUQVHUCZVWCJ-AWEZNQCLSA-N 313.361 0.979 0 50 DCAA C=CC(=O)N1CCC(C(=O)N=c2ccn(CC(F)F)[nH]2)CC1 1875369544 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Nc1n[nH]c(C(=O)N2CCCO[C@@H](Cn3cccn3)C2)c1Cl 216274459 YQNXMHYANSKFOC-SECBINFHSA-N 324.772 0.773 0 50 DCAA O=C(CN1C(=O)CNC1=O)N1CCC(Oc2cccnc2)CC1 215894031 KTUGKZKOCBRTDY-UHFFFAOYSA-N 318.333 0.003 0 50 DCAA COc1ccccc1CC(=O)N1CCc2c(ncn(C)c2=O)C1 328620141 GSNINDKABOSKTG-UHFFFAOYSA-N 313.357 0.916 0 50 DCAA N=C(O)[C@@H]1CN(C(=O)c2ccc(C(=O)NC3CC3)cc2)CCO1 328847086 XWLYXYALMKSKDR-ZDUSSCGKSA-N 317.345 0.955 0 50 DCAA CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cnn2ccccc12 72154759 XDFLKAPLVRJQHT-ZDUSSCGKSA-N 322.390 0.375 0 50 DCAA CN1C(=O)[C@@]2(CCN(C(=O)c3cnn4ccccc34)C2)N=C1O 329390338 RGLZJLZFNXBHEU-HNNXBMFYSA-N 313.317 0.305 0 50 DCAA CN(C)Cc1nnc([C@@H]2CCCN(C3CCNCC3)C2)n1C 72409876 ITJKWRMSPORZHK-CYBMUJFWSA-N 306.458 0.808 0 50 DCAA C[C@H]1NC(=O)[C@H]2CN(C(=O)NC3CCCCC3)CCN2C1=O 14740786 FWEYHZMCEBGGBE-ZYHUDNBSSA-N 308.382 0.060 0 50 DCAA biogenic C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)N(C)C 71385264 LLDMEVBKYPIAMI-SNVBAGLBSA-N 300.380 0.938 0 50 DCAA O=C1OCCN1CCn1ccnc1-c1cc2n(n1)CCNC2 72432559 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DCAA CC1(C)NC(=O)CC[C@H]1NC(=O)C1(O)Cc2ccccc2C1 374706073 TULLNMJMEGAGIY-CYBMUJFWSA-N 302.374 0.690 0 50 DCAA Cc1cc(NC(=O)CN2CC(=O)NC2=O)ccc1C(=O)N(C)C 265861472 GOIPSIJKNZTVEF-UHFFFAOYSA-N 318.333 0.187 0 50 DCAA COc1cc(F)c(CN2C[C@H]3COC[C@@H](C2)C(=O)N3)cc1OC 1704315819 FFGSLDMRDDCDIG-NEPJUHHUSA-N 324.352 0.790 0 50 DCAA COC(=O)Nc1ccc(N2C(=O)N[C@@H]([C@@H](C)O)C2=O)cc1F 1263421710 BIYGFDOMPYIMDF-LDWIPMOCSA-N 311.269 0.810 0 50 DCAA Cc1c(S(=O)(=O)N2CCOCC2)c(C)n(C)c1C(=O)O 1857533509 JNWJKBWURGBVMX-UHFFFAOYSA-N 302.352 0.361 0 50 DCAA Cc1nc(CC(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)n[nH]1 952893607 JKBOAIVESVJAOG-NSHDSACASA-N 304.354 0.596 0 50 DCAA CN(CC(=O)N1CC(N2CCCC2=O)C1)Cc1ccccc1 1875271841 BJTZKWDETQORES-UHFFFAOYSA-N 301.390 0.952 0 50 DCAA O[C@@H](CN1CC(OCc2nc(C3CC3)no2)C1)Cn1cccn1 886079061 CLMSCNLYZCRMPQ-LBPRGKRZSA-N 319.365 0.405 0 50 DCAA C[C@@H]1C[C@H](C(=O)O)CCN1S(=O)(=O)c1c[nH]c(C(=O)O)c1 887268960 ZGKCQKBPSPKJHD-HTQZYQBOSA-N 316.335 0.587 0 50 DCAA O=C(C[C@H]1CCCCO1)N1CC2(COC2)[C@@](F)(C(=O)O)C1 888098281 DYKHKWAPYVDJCL-YGRLFVJLSA-N 301.314 0.597 0 50 DCAA CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2ccnn2C)cn1 888093539 DLXBCUOPQXCRON-UONOGXRCSA-N 319.365 0.142 0 50 DCAA N[C@H]1CN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)CC12CCC2 1775960695 ANQCKDGXBXHGMK-QMMMGPOBSA-N 324.328 0.930 0 50 DCAA CCOC(=O)C1=NN[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 100057857 YMHQMPQRXPUJBL-UWVGGRQHSA-N 321.720 0.720 0 50 DCAA Cc1ccc(F)cc1S(=O)(=O)N1C[C@H]2COC[C@@]2(CO)C1 2356143411 GRRPCGPWAAEEAB-FZMZJTMJSA-N 315.366 0.764 0 50 DCAA CCC[C@H](C)c1nnc(NC(=O)CN2CC(=O)NC2=O)s1 55252310 FMVLOTYISKOUOW-ZETCQYMHSA-N 311.367 0.932 0 50 DCAA O=c1c2ccccc2ncn1C[C@]1(O)C[C@@H]2NCCC[C@H]2O1 900211 YLYLCQRQSRDSQR-LZWOXQAQSA-N 301.346 0.626 0 50 DCAA biogenic CNC(=O)C[C@H]1C(=O)NCCN1Cc1cc(C(C)(C)C)[nH]n1 67713546 XPFDYHOZHQYBIL-NSHDSACASA-N 307.398 0.144 0 50 DCAA Cc1noc(CCNc2nccc(N[C@H]3CCCOC3)n2)n1 435334792 CKARMUSJVCBURH-NSHDSACASA-N 304.354 1.414 0 50 DCAA COCCN1CCC[C@](O)(CNCc2c(C)noc2C)C1=O 67841548 MBCSUZSDOIIXFZ-HNNXBMFYSA-N 311.382 0.381 0 50 DCAA CNC(=O)C1(C(=O)N2CCN(c3nc(C)cs3)CC2)CC1 171674428 XXNRTLUEYMOKIB-UHFFFAOYSA-N 308.407 0.626 0 50 DCAA O=C(CN1CCOc2ccccc2C1)N1CCOC[C@@H](O)C1 77355583 IEEAPWGLOOYCAE-AWEZNQCLSA-N 306.362 0.101 0 50 DCAA Cn1nnc(CN[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)n1 328594994 IAJYCYWMOHITNB-LLVKDONJSA-N 324.747 0.898 0 50 DCAA O=C(NCC1(CO)CCOCC1)c1ccc(-c2ncn[nH]2)cc1 186223570 IUFXAAPWGPXDTN-UHFFFAOYSA-N 316.361 0.991 0 50 DCAA C[C@@H]1C[C@H]1N1C[C@H](NC(=O)c2cccc(C(=O)O)n2)CC1=O 331518047 NQURXTDZAJRSLX-KBVBSXBZSA-N 303.318 0.519 0 50 DCAA O[C@]1(c2c[nH]nn2)CCN(c2ncc(Br)cn2)C1 284571883 PBFDKKNFEAXAJC-SNVBAGLBSA-N 311.143 0.455 0 50 DCAA NC(=O)c1ccccc1N1CCC[C@H](NS(=O)(=O)C2CC2)C1 369678063 JDFKGCGVGARVNE-NSHDSACASA-N 323.418 0.836 0 50 DCAA Cc1cccc2nc(CCC(=O)N3C[C@@H](O)C[C@H]3CO)[nH]c12 376940374 TWDUKUKINMFBEJ-RYUDHWBXSA-N 303.362 0.758 0 50 DCAA CN(C)CCN(CC(=O)O)C(=O)[C@@H]1COc2ccccc2C1 237129286 WUCJZBMJSMZMLF-ZDUSSCGKSA-N 306.362 0.713 0 50 DCAA CCO[C@H]1CN(C(=O)c2ccccc2-c2nc[nH]n2)C[C@@H]1O 218981453 TZRCBJNIBBZUIS-STQMWFEESA-N 302.334 0.694 0 50 DCAA CN(CC(N)=O)C[C@H]1CN(c2nc3ccccc3n2C)CCO1 282232365 LFBYSFSDFOKPJR-LBPRGKRZSA-N 317.393 0.196 0 50 DCAA C[C@H](OC[C@H]1CCCCO1)C(=O)NC[C@H]1CN(C)CCN1C 242288050 YKRYWBWQKKPVHX-SOUVJXGZSA-N 313.442 0.323 0 50 DCAA Cc1cc(C)n(CC(=O)N[C@H](C(=O)O)c2ccccc2)c(=O)n1 426737388 KFOXTWNVCRLLTM-AWEZNQCLSA-N 315.329 0.802 0 50 DCAA CN1CCN(CC(=O)NCc2ccc(-c3ncon3)cc2)C1=O 426523371 FDVRVWDVIWEPHS-UHFFFAOYSA-N 315.333 0.720 0 50 DCAA C[C@H](Cn1cncn1)NC(=O)Nc1cccc2c1OCC(=O)N2 290277373 WVHGTHTVSVYZGJ-SECBINFHSA-N 316.321 0.819 0 50 DCAA O=C(NCc1cc2n(n1)CCNC2)c1cccc(-n2cnnc2)c1 97766844 WWZRNVUQSNITKI-UHFFFAOYSA-N 323.360 0.497 0 50 DCAA CCN1CCC[C@@](C)(C(=O)NCCc2nc(COC)no2)C1 95375564 DCGNPZCDIJGROO-OAHLLOKOSA-N 310.398 0.997 0 50 DCAA C[C@H]1CN(C(=O)c2ccc(-n3cnnn3)cc2Cl)CCN1 237567834 DNNNWHJPTFIOBH-VIFPVBQESA-N 306.757 0.750 0 50 DCAA COCCN1CCC[C@]2(CCN(C(=O)c3ccnn3C)C2)C1=O 91725659 SMJZWWYGIYNDEP-MRXNPFEDSA-N 320.393 0.521 0 50 DCAA O=C1CC[C@@H](C(=O)NCC2CCN(c3ccncc3)CC2)N1 93065774 LIQMHXCNEGGVAH-AWEZNQCLSA-N 302.378 0.693 0 50 DCAA CNC(=O)CCN(C)Cc1cnc(NC[C@@H]2CCCO2)nc1 244866339 VUHSTLUZIGAMPL-ZDUSSCGKSA-N 307.398 0.635 0 50 DCAA CCOCC(=O)N1CCC(C(=O)NCc2cccnc2N)CC1 299791772 FOEPZLVPNAXWNB-UHFFFAOYSA-N 320.393 0.555 0 50 DCAA CCn1nc(C)c([C@@H](C)NC(=O)CCCS(N)(=O)=O)c1C 823593367 JURDZHCQRFAOEP-SECBINFHSA-N 316.427 0.766 0 50 DCAA COCC1CCN(S(=O)(=O)N2CCN(C)[C@H](C)C2)CC1 824372074 FBFOLROYTVJBSQ-GFCCVEGCSA-N 305.444 0.226 0 50 DCAA Cc1nc(C)c(CC(=O)N[C@H]2CCc3c[nH]nc3C2)c(O)n1 584894494 WOCGBIZAGUQLOH-NSHDSACASA-N 301.350 0.738 0 50 DCAA COc1cc(CCC(=O)N2CCOC[C@@H]2C(=O)O)cc(OC)c1 268968882 FGIORYIPWHQSDY-CQSZACIVSA-N 323.345 0.948 0 50 DCAA CC[S@@](=O)c1ccccc1C(=O)NC[C@@H]1CN(C)CCO1 194615562 CJIMGCZDBSLQDU-XUSGNXJCSA-N 310.419 0.875 0 50 DCAA CCn1nccc1[C@H]1NC(=O)CC[C@H]1NC(=O)c1ccn(C)c1 656857602 MCUQPUZBZUPMEH-DOMZBBRYSA-N 315.377 0.991 0 50 DCAA CCS(=O)(=O)C[C@H](C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1 246486280 DNNPNMJYUWLACF-LOWDOPEQSA-N 302.440 0.847 0 50 DCAA CC1(C)CNC(=O)[C@@H]1NS(=O)(=O)[C@H]1C[C@H]1c1ccccc1 1615554647 VJECDAIKKHWPHJ-AVGNSLFASA-N 308.403 0.987 0 50 DCAA O=C(O)[C@@H]1C[C@H](O)CCN1C(=O)Cc1ccc2c(c1)OCO2 210021434 BXTYXQARUIFPNY-MNOVXSKESA-N 307.302 0.394 0 50 DCAA Cc1ccc(F)c(S(=O)(=O)NC[C@H]2CCNC[C@@H]2O)c1 215235674 DNDMWZZBCFPKHT-PWSUYJOCSA-N 302.371 0.383 0 50 DCAA CN(C)c1nc2c(c(N[C@@H]3CN[C@H](C(=O)O)C3)n1)CCCC2 1772705988 XEUKMSSSQIGPHJ-CABZTGNLSA-N 305.382 0.648 0 50 DCAA O=C1N[C@@H]2COC[C@H]1CN(C(=O)Cc1ccc(F)cc1F)C2 1857723571 LMSOWNVMBYNRBH-PWSUYJOCSA-N 310.300 0.481 0 50 DCAA CCOCC(C)(C)NC(=O)c1cc(N2CCNC(=O)C2)ccn1 355139759 GEDAYPNSFSAGEL-UHFFFAOYSA-N 320.393 0.563 0 50 DCAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1onc3ncccc13)C2 1875248408 OTSDREGULCYMJE-MNOVXSKESA-N 302.334 0.625 0 50 DCAA COc1ccc(NC(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3)cc1 1875246276 DTVMMSCFPJDYGI-PWSUYJOCSA-N 305.334 0.674 0 50 DCAA CC(=O)N1C[C@H](C(=O)N2CCNC(=O)CC2)Oc2ccccc21 743927567 WQHBSMDOPKKNCP-CQSZACIVSA-N 317.345 0.149 0 50 DCAA C[C@@H]1CCN(CCNC(=O)c2cnnn2C2CCNCC2)C1 662747568 ZHUMNMLVDKXEAL-GFCCVEGCSA-N 306.414 0.274 0 50 DCAA CN1N=C(C(=O)Nc2ccc(CC(=O)O)c(F)c2)CCC1=O 263265152 VHUJYBMXXWQGRH-UHFFFAOYSA-N 307.281 1.000 0 50 DCAA CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cc(C2CC2)[nH]n1 818519851 PLMXLHINAYOQFI-HNNXBMFYSA-N 306.366 0.654 0 50 DCAA CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NC(=O)CCc1cnc[nH]1)C2 926161160 RXXYFZMQQSZWSN-TXCZRRACSA-N 320.437 0.938 0 50 DCAA Cc1cc(CN2CCN(c3nc(N)nc(C4CC4)n3)CC2)on1 933555195 DZUYOJIROPEIKY-UHFFFAOYSA-N 315.381 0.950 0 50 DCAA CC(C)N1CCN(CCC(=O)N2C[C@@H](C)N(C)C[C@@H]2C)CC1 864057965 PTGMGWQJFOZTDB-CVEARBPZSA-N 310.486 0.954 0 50 DCAA Cc1nn(C)c(C)c1CC(=O)NC[C@@H](C(=O)O)C1CCOCC1 864145191 KLJYHERIJXIRAI-CQSZACIVSA-N 323.393 0.823 0 50 DCAA NC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1cccc(CO)c1)C2 952848445 MZANLLZFLDOFQZ-CJNGLKHVSA-N 304.346 0.143 0 50 DCAA Cc1cc(O)c(C(=O)NCC2CN(C(=O)C3CCC3)C2)nn1 1875332768 JMTDRKFUAQZYKA-UHFFFAOYSA-N 304.350 0.479 0 50 DCAA CO[C@@H]1CN(Cc2nnnn2C(C)(C)C)C[C@H]1c1cn(C)nn1 886071867 FRNZWCPQNDONPJ-CMPLNLGQSA-N 320.401 0.171 0 50 DCAA CCN1CCN(C(=O)[C@]2(N)CCc3c(OC)cccc32)CC1 1775961431 ZFPOQAMIAOQCHO-KRWDZBQOSA-N 303.406 0.960 0 50 DCAA O=C(NCCc1cnc(O)nc1)[C@@H]1Cc2cc(F)ccc2O1 899706560 PPYWQLZKVTUHKB-ZDUSSCGKSA-N 303.293 0.984 0 50 DCAA CCN(C(=O)[C@@H]1C[C@H]2CC[C@H]1NC2)[C@@H](C)CS(C)(=O)=O 423195126 SFGCNDWRLNBFTP-UMSGYPCISA-N 302.440 0.656 0 50 DCAA NS(=O)(=O)C1(CNc2ncc(Br)cn2)CCC1 721544451 USHBMSDOMDNMPW-UHFFFAOYSA-N 321.200 0.862 0 50 DCAA C[C@H]1COC[C@H]2CN(C(=O)c3cnc4cnn(C)c4c3)CCN12 2100478295 ZMUBBNRRRKDLLJ-WCQYABFASA-N 315.377 0.513 0 50 DCAA C[C@H]1NC(=O)O[C@@]12CCN(C(=O)c1n[nH]c3cc(N)ccc13)C2 2325875808 CIOUKPOEKMRKFF-ANRSDYALSA-N 315.333 0.858 0 50 DCAA O=C(c1ccc(C(=O)N2CCOCC2)cc1)N1CCOCC1 227341 WSLSHSXFPNQGRU-UHFFFAOYSA-N 304.346 0.631 0 50 DCAA Cn1[nH]cnc1=NCCNC(=O)c1ccc2ncsc2c1 2356160004 YUZMQJASROBLCF-UHFFFAOYSA-N 302.363 0.689 0 50 DCAA O=C(O)c1cccc(S(=O)(=O)N2CCC(C(=O)O)CC2)c1 4306793 DTCZHDUBBCDYAQ-UHFFFAOYSA-N 313.331 0.870 0 50 DCAA O=C(O)c1ccc(NCCN2C(=O)CCC2=O)c([N+](=O)[O-])c1 4755314 BJPWOPWIEYSUSQ-UHFFFAOYSA-N 307.262 0.854 0 50 DCAA O=C(O)[C@@H]1[C@@H](C(=O)NCCCN2CCCC2=O)[C@H]2C=C[C@H]1C2 101460618 ZUTVXFGIIVQHBD-IMIFBBOLSA-N 306.362 0.638 0 50 DCAA CCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1nc(C(C)C)cs1 67947692 MKCTVDKKEFSKQK-KOLCDFICSA-N 310.423 0.944 0 50 DCAA C[C@@H](Cn1cccn1)C(=O)N1CCN(C)C2(CCN(C)CC2)C1 67840034 NDVIGMAGNJURFV-HNNXBMFYSA-N 319.453 0.758 0 50 DCAA O=C1NCCN2CCN(C(=O)NCCc3ccccc3)C[C@@H]12 65380587 HPEVUYDNHQDJFY-AWEZNQCLSA-N 302.378 0.055 0 50 DCAA COC(=O)c1cn([C@H](CC(C)C)C(N)=O)cc2c(O)nnc1-2 409415638 VDDZMEUKHNBSBI-SNVBAGLBSA-N 306.322 0.948 0 50 DCAA Cc1cc(C(=O)NC(C)(CO)CO)nn1-c1cccc(F)c1 120684160 UVTSWJJIZFREAQ-UHFFFAOYSA-N 307.325 0.793 0 50 DCAA Cc1cc(=O)[nH]c(NCCN[C@H]2CCOC3(CCOCC3)C2)n1 77376997 DQDCIGPERRJPBC-ZDUSSCGKSA-N 322.409 0.808 0 50 DCAA O=C([C@@H]1C[C@@H](O)CN1)N1CCCN(Cc2ccccc2F)CC1 77343144 PXBBSPZZLKJHDS-ZBFHGGJFSA-N 321.396 0.583 0 50 DCAA Cn1cc(C[C@H]2CCN(c3nc(N)c4cnn(C)c4n3)C2)cn1 364972825 OMNURFNYEVKCDU-SNVBAGLBSA-N 312.381 0.748 0 50 DCAA CN(C)[C@]1(C(=O)NCc2cnnn2C)CCOc2ccccc21 366475063 PICMIDGEWWUNJT-MRXNPFEDSA-N 315.377 0.671 0 50 DCAA COCCn1cc(S(=O)(=O)N2CCCC[C@H]2C(=O)O)cn1 262675831 RALGPHVBHSCJFD-NSHDSACASA-N 317.367 0.157 0 50 DCAA CCCc1nc(NCCN2CCNC2=O)c2cnn(C)c2n1 72421669 ADOHCGQGFCDXOB-UHFFFAOYSA-N 303.370 0.753 0 50 DCAA O=C1CC[C@H](C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)N1 372375145 ULGLCDPZGACNDG-KGLIPLIRSA-N 315.373 0.572 0 50 DCAA C[C@H]1OCCN[C@@H]1C(=O)Nc1ccn(Cc2ccncc2)n1 262412031 ZHTDULOYQUPNCX-RISCZKNCSA-N 301.350 0.642 0 50 DCAA NC[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 131136164 OXXYDJAIDZAZFL-UWVGGRQHSA-N 307.316 0.737 0 50 DCAA NC(=O)[C@@H]1C[C@@H](F)CN1c1cc(C(F)(F)F)nc2ncnn12 284472605 DWCLONLWTLUJSY-RITPCOANSA-N 318.234 0.545 0 50 DCAA O=C(CCc1nc(-c2ncccn2)no1)N1CC(O)(C2CC2)C1 329930825 ZXIJBMWXPFTVIH-UHFFFAOYSA-N 315.333 0.443 0 50 DCAA O=C(CN1CCCC[C@@H](O)C1=O)N[C@@H]1COc2ccccc21 606444001 MADVYBZNGBCKOD-CHWSQXEVSA-N 304.346 0.610 0 50 DCAA CN(C[C@H](O)CN1CC[C@@H](CCO)C1)C(=O)OC(C)(C)C 496829876 BBMFBHBBRYWSRG-STQMWFEESA-N 302.415 0.919 0 50 DCAA CCn1ncnc1CN1CCC([C@H](O)c2nccn2C)CC1 193441552 PDCODZWBXLUFKA-AWEZNQCLSA-N 304.398 0.977 0 50 DCAA O=C(C1CC1)N1CCN(Cc2nccn2C2CC2)C[C@H](O)C1 97759275 WMNQQABWXNLYRB-AWEZNQCLSA-N 304.394 0.633 0 50 DCAA CN(C)S(=O)(=O)N1CC[C@@H](Cc2cccc(C(N)=O)c2)C1 91793397 YJZNYYBIJZYJQR-LBPRGKRZSA-N 311.407 0.456 0 50 DCAA CCN(CCO)C[C@@H]1CN(C(=O)Cc2cccnc2)C[C@@H]1CO 91391136 GPIQKJSOALGWNI-HZPDHXFCSA-N 321.421 0.005 0 50 DCAA O=C(CCCN1CCCCC1)NCCc1nc(O)cc(=O)[nH]1 95382193 XXQSWHMHWMKAES-UHFFFAOYSA-N 308.382 0.400 0 50 DCAA Nc1cc(=O)[nH]c(CCNC(=O)CCCN2CCCCC2)n1 95366547 UDODRXURMGWIHY-UHFFFAOYSA-N 307.398 0.277 0 50 DCAA CCc1cc(N2CCN(c3cnn(C)c(=O)c3)CC2)ncn1 95357798 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O=C1C[C@H](NCc2ccccn2)CN1CCN1CCOCC1 178906932 YXVMLGPQZPOJIN-HNNXBMFYSA-N 304.394 0.104 0 50 DCAA O=C(CCCc1cn[nH]c1)NCCS(=O)(=O)N1CCCC1 97173079 PUVZYGWKWDYYNF-UHFFFAOYSA-N 314.411 0.274 0 50 DCAA NS(=O)(=O)C[C@@H]1CCN(C(=O)C2Cc3ccccc3C2)C1 426640359 GGVZNVJJONFCBX-LLVKDONJSA-N 308.403 0.538 0 50 DCAA Cc1nc(C)c(C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)[nH]1 622050869 GAYWKXQKJZWJSB-LLVKDONJSA-N 314.411 0.570 0 50 DCAA C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)O)c1nnnn1-c1ccccc1 299750752 OGMJPGYQNWTKOG-LSJOCFKGSA-N 301.306 0.560 0 50 DCAA Cc1cc(=O)n(CCN2CC(N3CCCC[C@@H]3C)C2)c(O)n1 253536571 IEAQOYBVMGMILI-ZDUSSCGKSA-N 306.410 0.816 0 50 DCAA Cc1cc2nc(C(=O)NC[C@@H]3CN(C)CCO3)cc(C)n2n1 534578909 PFJUMCDWOAHTFQ-GFCCVEGCSA-N 303.366 0.407 0 50 DCAA Cc1nc(C(C)C)sc1C(=O)N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1940194994 HHTKVEHAUJSEOV-LNFKQOIKSA-N 312.391 0.832 0 50 DCAA Cc1nc(C)c(CC(=O)NCCc2nncn2C(C)C)c(O)n1 299778372 GEDFFLVQVTZNKW-UHFFFAOYSA-N 318.381 0.873 0 50 DCAA O=C(NC1CCN(C(=O)N2CCOCC2)CC1)c1cnc[nH]1 584886429 LNIWJNXTBFXWDP-UHFFFAOYSA-N 307.354 0.056 0 50 DCAA CC(C)(C)c1ccc(C(=O)NCC(=O)N2C[C@H](O)[C@H](O)C2)cc1 408515241 NLJRRTLRAJKOBE-OKILXGFUSA-N 320.389 0.278 0 50 DCAA O=C1CNC(=O)N1CCN1CCC[C@@H]1c1nc2c([nH]1)CCCC2 275933284 KTCRHBGOGMTLBB-CYBMUJFWSA-N 317.393 0.977 0 50 DCAA Cn1ncc(C(F)(F)F)c1CNC(=O)N1C[C@@H]2[C@@H](CO)[C@@H]2C1 637343586 JNSAFOSEMQGEKJ-BRPSZJMVSA-N 318.299 0.819 0 50 DCAA Cc1nn(CC(=O)N2CC[C@@H](Oc3cccnc3)C2)c(=O)o1 639962047 GBYXTPARPTYHQB-GFCCVEGCSA-N 304.306 0.220 0 50 DCAA C[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)CCn1ccnc1 641491472 QAESCLDCKJEKAU-UONOGXRCSA-N 312.439 0.772 0 50 DCAA CCN1CCN(C(=O)NC[C@H]2CCOC2)C[C@@H]1c1nccn1C 583622859 FUKXETVXWJSOBR-ZIAGYGMSSA-N 321.425 0.845 0 50 DCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)COc2ccc3c(c2)CCC3)C1 583619493 QVGGVMXFDJESFL-GJZGRUSLSA-N 318.373 0.655 0 50 DCAA Cn1nc2c(c1NC(=O)[C@H]1CCCN(CC(N)=O)C1)CSC2 1506398280 BBBLDOQRSOIIKY-VIFPVBQESA-N 323.422 0.303 0 50 DCAA O=C(c1cccc(Cn2cccn2)c1)N1CC[C@@H](CO)[C@@H](O)C1 217009459 DDXCRQYIITYSSR-HOTGVXAUSA-N 315.373 0.747 0 50 DCAA O=S(=O)(Cc1ccccc1Cl)N[C@H]1CCOC[C@@H]1O 625594733 VSJFFOCQNDBFLW-RYUDHWBXSA-N 305.783 0.909 0 50 DCAA O=C(N[C@H]1CCCN2CCC[C@@H]12)c1cc(N2CCOCC2)no1 1772808070 YGXXSXOSWXSDJU-STQMWFEESA-N 320.393 0.868 0 50 DCAA C[C@H]1C(=O)N2CCC[C@@H]2CN1C(=O)c1n[nH]c2c1COCC2 1772706692 UQZLNQRTXZMWQZ-VHSXEESVSA-N 304.350 0.318 0 50 DCAA CCCn1cc(CN(C)C(=O)c2nn(C)cc2C(=O)O)cn1 12397572 HXKOKDRTHDUCFM-UHFFFAOYSA-N 305.338 0.997 0 50 DCAA COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)n3ncnc3N2)c1 13124611 JRLXFBNZRDUMBO-SNVBAGLBSA-N 317.305 0.758 0 50 DCAA C[C@@H]1[C@H]2C[C@@H]([C@@H](S(=O)(=O)N3CCOCC3)C2=O)C1(C)C 169300854 CAGCIDMKRSNJDS-HNCHTBHHSA-N 301.408 0.898 0 50 DCAA O=C(c1cccn2cnnc12)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857667833 ONYOVXFDHPJHFE-WXHSDQCUSA-N 302.334 0.341 0 50 DCAA Cn1nc(C(=O)N2CCC[C@H](CS(C)(=O)=O)C2)nc1Cl 1857677633 KWGRMOYIGCPNQQ-QMMMGPOBSA-N 320.802 0.365 0 50 DCAA Cn1cc(C(=O)N(CCC(=O)O)C[C@@H]2CCCO2)ccc1=O 408513359 XGMCOFADGOUNRI-LBPRGKRZSA-N 308.334 0.481 0 50 DCAA CN(CC(=O)O)[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccccc2)C[C@H]1O 328606232 QUHAEIZQJZJCMJ-BYNSBNAKSA-N 318.373 0.378 0 50 DCAA CC(=O)N1CCN(C(=O)[C@@H](C)n2cc(-n3cccc3)cn2)CC1 331944245 NONAVMQRVKDCIU-CYBMUJFWSA-N 315.377 0.926 0 50 DCAA Cc1nc(O)cc([C@H]2C[C@@H](NC(=O)c3cnc(N)nc3C)C2)n1 253535416 OZPLSXMQIAQVHJ-AOOOYVTPSA-N 314.349 0.847 0 50 DCAA COc1cccc(C2(C(=O)N3CCO[C@@H](C(N)=O)C3)CC2)c1 375690669 UPZIDBRBIWHBBS-CYBMUJFWSA-N 304.346 0.440 0 50 DCAA Cn1nnnc1CN[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1 583620119 ABNWKJIUMCEIBQ-DOMZBBRYSA-N 313.365 0.199 0 50 DCAA CNC(=O)[C@H]1Cn2c(C)nnc2CN1CCc1cccnc1 818175476 KMJUCYBEUYBXBA-CYBMUJFWSA-N 300.366 0.154 0 50 DCAA CCn1nc(C)c(S(=O)(=O)Nc2ncccc2C(N)=O)c1C 952881214 GKFRGBPKUFGHRE-UHFFFAOYSA-N 323.378 0.815 0 50 DCAA CC(C)Cn1[nH]c(CC(=O)N[C@@H]2C[C@@H]3C[C@H](O)[C@H]2C3)cc1=O 1875312667 INFYFDQEMYEIDU-CABNGKKXSA-N 307.394 0.651 0 50 DCAA C=CC(=O)N(C)CC(=O)Nc1ccccc1CC(=O)N(C)C 1875366222 QFXHUKZKASPOFT-UHFFFAOYSA-N 303.362 0.900 0 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COC(=O)[C@H](CO)NCCC(=O)NC1CCCCCCC1 65369840 HUPITPNULAEPEO-ZDUSSCGKSA-N 300.399 0.729 0 50 DCAA COc1ccc(CCC(=O)N2CC[C@H](CO)[C@H](O)C2)cc1OC 72143267 DZYWXFFZHAALIH-ZIAGYGMSSA-N 323.389 0.838 0 50 DCAA O=C(O)c1cc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)n[nH]1 315966672 WODLUDLHBUDXHG-QMMMGPOBSA-N 306.322 0.838 0 50 DCAA CCN1CCN(C(=O)c2ccc(OC)nn2)C[C@@H]1c1ncc[nH]1 328619113 FMCCCIQQDIMSIP-GFCCVEGCSA-N 316.365 0.727 0 50 DCAA CO[C@@H](CN)CC(=O)N1CCCN(c2nc(C)ns2)CC1 328588663 UUKHLYDIDITJCS-LLVKDONJSA-N 313.427 0.249 0 50 DCAA COc1ccc(C)cc1S(=O)(=O)NC[C@@H]1CNCCOC1 72133292 QKZRLYNMULSTQP-LBPRGKRZSA-N 314.407 0.518 0 50 DCAA CCc1cc(C(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n[nH]1 369398667 PGMBMCMAGIGBHY-LLVKDONJSA-N 305.338 0.081 0 50 DCAA O=C(O)[C@H]1CN(C(=O)c2cc[nH]c2)CCN(c2cnccn2)C1 219624921 KCDKJHLQTRFADJ-GFCCVEGCSA-N 315.333 0.468 0 50 DCAA C[C@H](N)[C@@H]1CCCCN1S(=O)(=O)c1cn(C)c(Cl)n1 237459994 MCGDWHLIQPAQKX-IUCAKERBSA-N 306.819 0.964 0 50 DCAA C[C@H]1OCCN(S(=O)(=O)c2cccc(F)c2F)[C@@H]1C(N)=O 284652071 GEPGUSRGOBVMRJ-HQJQHLMTSA-N 320.317 0.228 0 50 DCAA O=C(Cn1nc2ccccc2n1)NCc1nnc2n1CCCC2 223428164 UHXCUPFDQNTKEZ-UHFFFAOYSA-N 311.349 0.676 0 50 DCAA O=C(NCCS(=O)(=O)N1CCCC1)c1cc(C(F)F)[nH]n1 426719806 FRTLUWLUKIALBI-UHFFFAOYSA-N 322.337 0.503 0 50 DCAA COCCc1nc(CNC(=O)c2ccc3c(c2)OCO3)no1 220362218 BDZXFDAFJCDLBC-UHFFFAOYSA-N 305.290 0.917 0 50 DCAA COCC(=O)NCCNc1cc(-n2cnc(C)c2C)ncn1 82230596 VRTGKIOHACADQW-UHFFFAOYSA-N 304.354 0.454 0 50 DCAA C[C@H](NC(=O)NCC1(c2ccccc2)CCN(C)CC1)C(N)=O 426382858 CFPQAUTXZTXYGA-ZDUSSCGKSA-N 318.421 0.823 0 50 DCAA CC(=O)NCC(=O)N1C[C@@H](C(=O)O)[C@H](c2cccc(F)c2)C1 92107106 HPDWQIQRZPZIBN-QWHCGFSZSA-N 308.309 0.588 0 50 DCAA CCC(=O)NCc1cc2n(n1)CCN(Cc1nc(C)no1)C2 426711989 FNEMDUMJHZBDHU-UHFFFAOYSA-N 304.354 0.617 0 50 DCAA O=C(N[C@H]1CCCN(C(=O)C2CC2)C1)c1cccn2cnnc12 426435384 JPVXUMMGYPIXAQ-LBPRGKRZSA-N 313.361 0.860 0 50 DCAA Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)C)[C@H](C)O)cc1 180905385 NBCHXUQJCKSUAI-JQWIXIFHSA-N 300.380 0.111 0 50 DCAA COC(=O)[C@@H]1N[C@H](c2ccc(C)cc2)[C@H]2C(=O)N(C)C(=O)[C@H]21 526056051 IMQDAAWGDZBTAQ-UMSGYPCISA-N 302.330 0.412 0 50 DCAA O=C(CCN1CCN(c2nc[nH]n2)CC1)Nc1cccnc1 252491582 LOBKXLIKLJVBEE-UHFFFAOYSA-N 301.354 0.351 0 50 DCAA COc1ccc2[nH]c(CNC(=O)CNC(=O)N(C)C)nc2c1 299756509 DGUQRERKCIRIPW-UHFFFAOYSA-N 305.338 0.459 0 50 DCAA CC(C)N1C[C@H](C(=O)NCc2cnc3cnccn23)CCC1=O 299782739 QFJRNCJAQGRSJY-GFCCVEGCSA-N 315.377 0.993 0 50 DCAA COc1ccc(CNC(=O)CN2C(=O)CN(C)C2=O)cc1F 298487456 HZLRHLJCWBGLCM-UHFFFAOYSA-N 309.297 0.345 0 50 DCAA N=c1nn[nH]n1CC(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 952969761 JQSRBNGYSPZWAK-CHWSQXEVSA-N 316.365 0.340 0 50 DCAA NC(=O)CN1CCC[C@H](C(=O)N2CCC3(CCOCC3)CC2)C1 952967529 KTVJUWAZMQSFPF-AWEZNQCLSA-N 323.437 0.603 0 50 DCAA O=C(c1ccccc1)N1CCC(N[C@@H]2CNCC[C@@H]2O)CC1 1565529725 GAISMWGDUUJWCZ-CVEARBPZSA-N 303.406 0.604 0 50 DCAA C[C@H](C(=O)O)N(C)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 268967705 DOWCDYIFJPOCMZ-YPMHNXCESA-N 304.346 0.967 0 50 DCAA CN(C[C@@H]1C[C@H](F)CN1c1ccncn1)C(=O)c1cc[nH]n1 275667949 LNYWLMYNBRKCRL-QWRGUYRKSA-N 304.329 0.889 0 50 DCAA O=C(C[C@@H]1CCNC1)NC[C@@H]1CN(Cc2ccncc2)CCO1 638731444 NWXXHFWRAOGONE-JKSUJKDBSA-N 318.421 0.398 0 50 DCAA CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)C(C)(C)O 191898053 YVKKJQYCNRIMIR-KRWDZBQOSA-N 306.406 0.853 0 50 DCAA CNC(=O)[C@]1(COC)CCCN1C(=O)c1cccc(C(=O)O)c1 663134926 IRVMQOLKYIIVRR-MRXNPFEDSA-N 320.345 0.752 0 50 DCAA CC(C)C[C@H]1C(=O)NCCN1C(=O)c1ccc2c(n1)OCCO2 1616030957 AVPQWWGMTUDADI-LBPRGKRZSA-N 319.361 0.840 0 50 DCAA COC(=O)CN1CC[C@H](O)[C@@](CO)(Cc2ccc(F)cc2)C1 1857721712 BYVROYRAWYZCJE-HOCLYGCPSA-N 311.353 0.587 0 50 DCAA O=C(O)[C@@H]1CCN(C(=O)Cn2cc(-c3ccccc3)nn2)C1 262228522 WLNGXBBITDAZHW-GFCCVEGCSA-N 300.318 0.878 0 50 DCAA CC[C@@H](COC)NC(=O)NCc1cccc(S(N)(=O)=O)c1 265851954 ZHVWINITOPMBCT-NSHDSACASA-N 315.395 0.558 0 50 DCAA Cc1cccc(-c2noc(C[C@H]3CNCCS3(=O)=O)n2)c1 904522870 YLBPZRGNNMUYEL-LBPRGKRZSA-N 307.375 0.974 0 50 DCAA CN(C)c1nc(O)cc([C@H]2CCN(C(=O)Cn3cccn3)C2)n1 864842535 YDIYMDSTPWAACQ-NSHDSACASA-N 316.365 0.461 0 50 DCAA Cc1cc(C(=O)N(C)C[C@H]2OCC[C@H]2c2nc[nH]n2)c(C)nn1 952889250 VNBNAOMODBHHAM-DGCLKSJQSA-N 316.365 0.856 0 50 DCAA CO[C@H]1CCCCN(CC(=O)N(C)CC(C)(C)CO)C1=O 886078397 XXRQLLAOOJTAGQ-LBPRGKRZSA-N 300.399 0.491 0 50 DCAA CCc1cc(=O)n2[nH]c(=NCCn3ccnc3C)sc2n1 2325764592 NBTZDCTZSFIHIO-UHFFFAOYSA-N 304.379 0.752 0 50 DCAA CC(=O)[C@H](Sc1nnn(-c2ccccc2)n1)C(=O)N(C)C 133833 DYXOXVHKRHPJFW-NSHDSACASA-N 305.363 0.800 0 50 DCAA C[C@H]1CN(C(C)(C)CNC(=O)[C@H]2CCNC(=O)C2)C[C@@H](C)O1 225422136 OXVCBCGUTDQNRF-XQQFMLRXSA-N 311.426 0.517 0 50 DCAA CC[C@@H](C)n1nccc1NC(=O)c1c[nH]c2ncnn2c1=O 102364132 SDYITWPYCHRMIU-MRVPVSSYSA-N 301.310 0.837 0 50 DCAA CCSc1nc(CC(=O)NCCN2CCNC2=O)cs1 55226902 QDMAETGPHONRFI-UHFFFAOYSA-N 314.436 0.939 0 50 DCAA CN1[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@H]12 100373379 STECJAGHUSJQJN-YXMSTPNBSA-N 303.358 0.918 0 50 DCAA biogenic,in-vitro COc1ccc(CC(=O)Nc2ccn(CCC(N)=O)n2)cc1 117702560 PBASAIXDQGGPHU-UHFFFAOYSA-N 302.334 0.948 0 50 DCAA CCn1c([C@H]2CCCNC2)nn(Cc2noc(C3CC3)n2)c1=O 67741502 WMGSIHDRBFIDIP-NSHDSACASA-N 318.381 0.840 0 50 DCAA O=C(NCCN1CCCc2ccccc21)c1cc(=O)[nH]c(=O)[nH]1 67805890 WDPNTFCEUTZANX-UHFFFAOYSA-N 314.345 0.246 0 50 DCAA CCN1CCN(C2CCN(C(=O)[C@@H]3CSCN3)CC2)C1=O 366358016 XYZRDQVLNQFDOB-LBPRGKRZSA-N 312.439 0.397 0 50 DCAA CCN1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CC1=O 370506880 FDTLTUJPQUWJHA-GFCCVEGCSA-N 316.361 0.078 0 50 DCAA COCCn1cc(CN2CCC[C@@H](N3CCNC3=O)C2)cn1 371403282 NHSYONQIQCPBFH-CQSZACIVSA-N 307.398 0.519 0 50 DCAA CN(C)CCN(CC(=O)O)C(=O)[C@@H]1Cc2cccc(F)c2O1 237129407 UPOOBIGBDTUQHA-LBPRGKRZSA-N 310.325 0.604 0 50 DCAA C[C@H](C(=O)N1CCC[C@H]1C(=O)O)n1nnc(-c2ccccc2)n1 237409936 ITYJMOONIZENRP-PWSUYJOCSA-N 315.333 0.977 0 50 DCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2occc2Br)C1 284818707 LPNUTQSRQSOZCM-XPUUQOCRSA-N 317.139 0.757 0 50 DCAA Cc1ccc2c(c1)nc(CNC(=O)N1CCNC(=O)C1)n2C 240444182 FWKPVVDROQBHGV-UHFFFAOYSA-N 301.350 0.523 0 50 DCAA O=C(C1CCC1)N1CCn2nc(CN[C@@H]3CCOC3)cc2C1 426388104 BPQSBOPMERZODL-CYBMUJFWSA-N 304.394 0.904 0 50 DCAA Cn1c(SCC(=O)N2CCCC2)nnc1C1CCNCC1 426552002 PFVWHEVYUVNQFU-UHFFFAOYSA-N 309.439 0.997 0 50 DCAA COCCn1cnnc1CNC(=O)[C@@H]1COc2ccccc2C1 95498087 VPKBHSSHVVSGFM-ZDUSSCGKSA-N 316.361 0.792 0 50 DCAA CC(=O)N[C@H]1CCN(C(=O)NCCSc2n[nH]c(C)n2)C1 426597177 DZJKSZPOIDLOOB-JTQLQIEISA-N 312.399 0.125 0 50 DCAA CCOc1ncccc1CNC(=O)[C@@H]1CCC(=O)NC(=O)N1 97759343 IEPZBPOVQZZRFV-JTQLQIEISA-N 306.322 0.085 0 50 DCAA Cn1ccc(NC(=O)CN2CCN(C(=O)c3ccc[nH]3)CC2)n1 244873031 WIYYNZNTGIOPAW-UHFFFAOYSA-N 316.365 0.145 0 50 DCAA Cc1nn(C)c2ncc(C(=O)O)c(NCCn3cncn3)c12 381744934 BZMQZYSNCQGLLN-UHFFFAOYSA-N 301.310 0.679 0 50 DCAA CC(C)n1cnnc1CCNC(=O)[C@H](C)CN1CCOCC1 299780293 JFAOAGVMSIQPEJ-CYBMUJFWSA-N 309.414 0.486 0 50 DCAA Cc1ncsc1CCC(=O)N1CCN(c2nc[nH]n2)CC1 299774454 IDUBCAGPKUSAOQ-UHFFFAOYSA-N 306.395 0.851 0 50 DCAA Cc1ccc(C)c(S(=O)(=O)N2CCN(C)[C@H](CCO)C2)c1 670433739 HVOQTMPOYXIGKQ-CQSZACIVSA-N 312.435 0.991 0 50 DCAA O=C(c1ncccc1O)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076078984 LDDLMIJXZDQMCV-PWSUYJOCSA-N 301.306 0.365 0 50 DCAA Cc1c(NC(=O)N[C@H]2COc3ccccc3[C@@H]2O)nnn1C 1413590335 IEFHRNMAIUTSLB-JQWIXIFHSA-N 303.322 0.740 0 50 DCAA NS(=O)(=O)c1ccc(CNC(=O)CCc2cn[nH]c2)cc1 952965319 GOWKPVWECDIBBQ-UHFFFAOYSA-N 308.363 0.306 0 50 DCAA Cc1cc(NC(=O)C(=O)NCCO)ccc1Br 170396037 KLYYBOMMNHQODB-UHFFFAOYSA-N 301.140 0.805 0 50 DCAA COC[C@]1(C(N)=O)CCCN1Cc1nc(CC(F)(F)F)no1 643824216 MWVNFLZRDDZLLF-NSHDSACASA-N 322.287 0.641 0 50 DCAA Cn1cc(-c2cc(NC(=O)N3C[C@@H]4CC[C@]4(N)C3)n(C)n2)cn1 1615058965 SUGNNNACWVISEE-NHYWBVRUSA-N 315.381 0.776 0 50 DCAA CN1CCN([C@H]2CN(C3CSCCSC3)C[C@@H]2O)CC1 1506426607 IOWOUZVKPZXVOL-KBPBESRZSA-N 317.524 0.128 0 50 DCAA CC1=C(C(=O)NCc2cccnc2-n2cncn2)OCCO1 1506413690 TXFYNWUQCYQIET-UHFFFAOYSA-N 301.306 0.557 0 50 DCAA Cc1n[nH]cc1CN(C)c1cncc(C(=O)N2CCOCC2)n1 1529125970 GBMXLODVOFSRKA-UHFFFAOYSA-N 316.365 0.617 0 50 DCAA Cc1nn(C)cc1C(=O)N1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 1704297284 KRPVMPQTWLBJCC-GDBMZVCRSA-N 306.410 0.647 0 50 DCAA O=C(c1c(F)cccc1F)N1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704312456 BXXQYIHGYPWMRF-OKILXGFUSA-N 311.240 0.966 0 50 DCAA NC(=O)c1csc(N2C[C@@H](O)[C@H](Cc3ccccn3)C2)n1 1704342480 DBWKFEXNFDGGGL-BXKDBHETSA-N 304.375 0.677 0 50 DCAA Cc1onc(C(=O)N2C[C@@H](O)[C@H](Cc3ccncc3)C2)c1CO 1704325571 QAZVBWFULFTOIX-TZMCWYRMSA-N 317.345 0.546 0 50 DCAA COCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ncc(C)[nH]1)C2 219873669 IXEAHQODLPFLEL-NEPJUHHUSA-N 306.366 0.428 0 50 DCAA COc1cc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3C)cc(OC)c1 1772700774 HHOOJPICJXETIV-KGLIPLIRSA-N 320.389 0.993 0 50 DCAA O=S(=O)(c1ccc(Cl)s1)N1C[C@@H]2CNC[C@@]2(CO)C1 1772701983 CRSQVKRSLKHZBQ-KWQFWETISA-N 322.839 0.604 0 50 DCAA CN(CCO)CCOB(O)c1ccc(Br)cc1 169747011 BZBCILFRSICLFL-UHFFFAOYSA-N 301.977 0.077 0 50 DCAA NC(=O)c1cc(N2CCN(c3nc[nH]n3)CC2)nc2ccccc12 1857698462 SMKRSCJYLHQZJG-UHFFFAOYSA-N 323.360 0.778 0 50 DCAA CC(C)[C@@H]1CO[C@@]23CCN(C(=O)c4ncc[nH]4)[C@@H]2CC(=O)N13 1857720923 QMFZOOPMYMYXLX-RWSFTLGLSA-N 304.350 0.608 0 50 DCAA C[C@H]1CN(c2ccnc3c2cnn3C)CCN1S(C)(=O)=O 253427451 MOCABIUMJGLIFZ-JTQLQIEISA-N 309.395 0.438 0 50 DCAA O=C(COc1ccccc1F)N1CCO[C@@H](c2nn[nH]n2)C1 370855962 KMDWIYHSOBUYDG-LLVKDONJSA-N 307.285 0.318 0 50 DCAA CN(C)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)O)cn1 263511582 XZGHIAPFZCQOER-LLVKDONJSA-N 313.379 0.775 0 50 DCAA CC(C)N(C)S(=O)(=O)NC(=O)[C@]1(F)CCN(C(C)(C)C)C1 810573152 MOLDEVUJUJTJCW-ZDUSSCGKSA-N 323.434 0.900 0 50 DCAA O=C(CN1Cc2c(cnn2-c2ccccc2)C1=O)N1CCOC1 821368810 DGOYCKKZELGTQQ-UHFFFAOYSA-N 312.329 0.644 0 50 DCAA O=C(NC[C@@H](O)c1ccc(F)cc1)C1=NOC2(CCNCC2)C1 864092684 TZYBILLPFLYXQZ-CQSZACIVSA-N 321.352 0.874 0 50 DCAA CC(=O)N1CCN(c2cc(CNC(=O)C3CC3)ccn2)CC1 1875253671 JGSLCXUFVKWCNW-UHFFFAOYSA-N 302.378 0.776 0 50 DCAA Cc1c(F)cccc1NC(=O)NC[C@]1(CO)COC[C@@H](C)N1 1775992199 KDRHNJRACBJZGI-BMIGLBTASA-N 311.357 0.995 0 50 DCAA Cc1nn(C)cc1C(=O)CNC(=O)c1cc(O)nc(C2CC2)n1 2325878004 BMWMHADEFHOMOL-UHFFFAOYSA-N 315.333 0.714 0 50 DCAA C[C@H](NC(=O)c1cccs1)C(=O)OCCNC(=O)C1CC1 908845548 PRJNNNLKONDNRN-VIFPVBQESA-N 310.375 0.936 0 50 DCAA COC[C@@]12COC[C@@H]1CN(Cc1cc(=O)n3ccsc3n1)C2 2356154925 PWVJEVUBAQMKAZ-NHYWBVRUSA-N 321.402 0.851 0 50 DCAA O=c1[nH]cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c(=O)[nH]1 4495759 FJRWHSIYWZMFRG-UHFFFAOYSA-N 319.701 0.657 0 50 DCAA CCc1nc(CN(C)C(=O)CSc2nnc(N)s2)no1 55254312 SWGGUIAACHWJHC-UHFFFAOYSA-N 314.396 0.816 0 50 DCAA COc1ccc(OC)c([C@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1 9108958 VYSBRYKWYRKNSW-SECBINFHSA-N 316.317 0.843 0 50 DCAA CS(=O)(=O)N1CCC[C@H]1C(=O)NCCCc1ccccn1 178604321 AQZIEIRSYJSTGB-ZDUSSCGKSA-N 311.407 0.554 0 50 DCAA COc1cccc(CNC(=O)N2C[C@@H]3CNC[C@]3(C(=O)O)C2)c1 63882544 RBCGDZUONCKCRF-LRDDRELGSA-N 319.361 0.511 0 50 DCAA COC(=O)C1(C)CN(C(=O)c2cnc3cc(C)nn3c2C)C1 425138487 HUXCXAODFSXXDE-UHFFFAOYSA-N 302.334 0.981 0 50 DCAA CN(CCNC(=O)c1cccc2c1NCCC2)S(C)(=O)=O 71735699 RUIOQMAXBJIZQQ-UHFFFAOYSA-N 311.407 0.666 0 50 DCAA CCc1nc(C)sc1C(=O)N1CCNC[C@@H]1C(=O)NC1CC1 72147466 RWVRNQJEXBLBBX-GFCCVEGCSA-N 322.434 0.707 0 50 DCAA O=C(Cn1nc2ccccc2n1)N1CCC[C@@H](c2ncn[nH]2)C1 216034858 XNTYIWFMRSUVQO-LLVKDONJSA-N 311.349 0.956 0 50 DCAA CS(=O)(=O)[C@@H]1CCN(C(=O)Cc2n[nH]c3ccccc23)C1 282282342 ZAEZHDUSYDUQDW-SNVBAGLBSA-N 307.375 0.751 0 50 DCAA Cc1cccnc1N1CCN(C(=O)CN2CCC[C@H](O)C2)CC1 77379612 MIOGIFKFFXHSIS-HNNXBMFYSA-N 318.421 0.495 0 50 DCAA COC(=O)c1ccc(-c2noc(CN(C)[C@H](C)C(N)=O)n2)cc1 72158380 DBDOWVNVECORRB-SECBINFHSA-N 318.333 0.829 0 50 DCAA Cc1nc2ccccn2c1CN(C)C(=O)CN1CCOCC1 222538053 MQFUCVBQVKCTKY-UHFFFAOYSA-N 302.378 0.933 0 50 DCAA O=C(CN1C[C@@H](O)C[C@@H]1c1ccc(F)cc1)N1CCNC1=O 339790464 FQWUUVLPCPOIIB-QWHCGFSZSA-N 307.325 0.485 0 50 DCAA Cc1ccc(-c2noc(C3CCN(CC(N)=O)CC3)n2)nn1 82157102 BKYBINIGMVOVRN-UHFFFAOYSA-N 302.338 0.500 0 50 DCAA Cc1oc(C(=O)N2CC[C@@](C)(O)C2)cc1S(=O)(=O)N(C)C 175719744 MZWUYHVNIPLCIO-CYBMUJFWSA-N 316.379 0.435 0 50 DCAA CS(=O)(=O)C1CCC(NC(=O)N[C@H]2C[C@H]3CC[C@H]2O3)CC1 341188970 WNUACTBYEINDMZ-ZWMSFMBMSA-N 316.423 0.961 0 50 DCAA C[C@H](NC(=O)[C@@H]1COCCO1)c1cn(-c2ccccc2)nn1 177711104 UBQJUOKJUNFUFS-FZMZJTMJSA-N 302.334 0.860 0 50 DCAA O=C(O)Cn1nccc1[C@@H]1CCCN(C(=O)c2cnccn2)C1 426487973 JRGYYLKZTXTFHN-LLVKDONJSA-N 315.333 0.778 0 50 DCAA O=C(c1cncc(=O)[nH]1)N1CCC(Oc2cccnc2)CC1 426628699 CUGCYWLEHNACMV-UHFFFAOYSA-N 300.318 0.849 0 50 DCAA O=C(c1coc(CN2CCOCC2)c1)N1C[C@@H]2CCCN[C@@H]2C1 97522654 YUIXRCQOJZWOQZ-XJKSGUPXSA-N 319.405 0.936 0 50 DCAA CCN1CC[C@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)C1 97657155 QMLZLTJOMYOLKY-ZDUSSCGKSA-N 304.394 0.818 0 50 DCAA CNC(=O)C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(F)c(C)c1 97547636 OAULWJTUPUXBCC-GFCCVEGCSA-N 322.340 0.603 0 50 DCAA CCN1CCN(C(=O)c2nnn(-c3cnn(C)c3)c2C)[C@H](C)C1 333726191 SJYWZMJTKXGTNU-LLVKDONJSA-N 317.397 0.475 0 50 DCAA CC(C)OCCS(=O)(=O)N1CCN(c2cnccn2)CC1 267049061 NPSHZZBDOZTPMI-UHFFFAOYSA-N 314.411 0.353 0 50 DCAA CCn1c(Cn2cccn2)nnc1C1CCN(CC(=O)O)CC1 91380891 NVEUIVCSCCVGEP-UHFFFAOYSA-N 318.381 0.807 0 50 DCAA COC(=O)c1coc(S(=O)(=O)N[C@H]2CCCC[C@H]2CN)c1 183180000 REKRQCCDPNAFHE-ONGXEEELSA-N 316.379 0.862 0 50 DCAA COc1cncc(S(=O)(=O)N2CC(F)(F)C[C@@H]2C(=O)O)c1 629307378 WBFJXBPHOGGADI-SECBINFHSA-N 322.289 0.573 0 50 DCAA Cc1nn(C)c(C)c1CCC(=O)N1CCN2C(=O)OC[C@@H]2C1 374577941 UACVTGWIELDMLU-LBPRGKRZSA-N 306.366 0.633 0 50 DCAA Cc1ccc2nc(COCC(=O)NC[C@H]3COCCO3)[nH]c2c1 299761613 LULPJQZGLYMPDI-LBPRGKRZSA-N 319.361 0.920 0 50 DCAA Nc1nscc1C(=O)N1CCC(N2CCC[C@@H](O)C2)CC1 299781313 LQIPKIYEWBYHIM-LLVKDONJSA-N 310.423 0.787 0 50 DCAA CCCCN1CCn2nc(CNC(=O)c3n[nH]nc3C)cc2C1 299799549 RXPLXUPCSAWRGR-UHFFFAOYSA-N 317.397 0.855 0 50 DCAA CCN1CCNC(=O)[C@@H]1CC(=O)NCCc1scnc1C 299775492 KBVGVJTXJLKAQE-NSHDSACASA-N 310.423 0.321 0 50 DCAA O=C(NCCc1noc(CO)n1)c1ccc2c(c1)CCCO2 670449479 ZKGSAIOYVSQLMU-UHFFFAOYSA-N 303.318 0.859 0 50 DCAA Cc1nonc1CNC(=O)CCS(=O)(=O)c1ccccc1 670468977 FXHYARACBKERCQ-UHFFFAOYSA-N 309.347 0.858 0 50 DCAA CC(=O)N[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1sc(C)nc1C 1565514903 XPTUWSGATLSYHC-USZNOCQGSA-N 309.391 0.782 0 50 DCAA O=C(NCCCN1C(=O)COc2ccccc21)[C@H]1C[C@H]1C(=O)O 268950088 PNCREGIOIQCXPY-WDEREUQCSA-N 318.329 0.639 0 50 DCAA O=C(NCc1ccccc1Cn1cccn1)[C@@H]1C[C@H](O)CN1 269208126 NOYSKTZBTDMORG-GJZGRUSLSA-N 300.362 0.270 0 50 DCAA Cn1c(=O)c2c(ncn2Cc2cnoc2C2CC2)n(C)c1=O 269948255 UIBLGDOCEZDEAM-UHFFFAOYSA-N 301.306 0.347 0 50 DCAA Cc1cccc(C(=O)N2CCN3CCS(=O)(=O)C[C@@H]3C2)c1C 408524499 MICPNVYOROGZNE-AWEZNQCLSA-N 322.430 0.858 0 50 DCAA C[C@]1(c2ccccc2)CN(C(=O)CCc2nn[nH]n2)CCO1 585131960 KQPJUPAFZPVIRM-OAHLLOKOSA-N 301.350 0.907 0 50 DCAA CCc1nc(C2CCN(C(=O)[C@H]3CN(CC)CCO3)CC2)n[nH]1 191487707 UOVSXAVUFJPKLS-CYBMUJFWSA-N 321.425 0.794 0 50 DCAA Cn1nnc(CN2CCC(NC(=O)C3CCCCC3)CC2)n1 193465738 ZCBWANLAUOIVJU-UHFFFAOYSA-N 306.414 0.871 0 50 DCAA O=C(O)[C@H]1CC[C@H](S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)C1 712846433 APHDWEPYSRHDIU-FIQHERPVSA-N 303.380 0.823 0 50 DCAA CNS(=O)(=O)CC(=O)Nc1cscc1Br 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DCAA Cn1cc([C@@H](O)C[C@H]2CCCN2S(=O)(=O)N2CCC2)cn1 795904906 UUGVKNLCFZCJGG-OLZOCXBDSA-N 314.411 0.259 0 50 DCAA CN1CCC2(CCN(c3nc(N)c4cnn(C)c4n3)CC2)C1 1506422075 OITZWFIDAFPMEZ-UHFFFAOYSA-N 301.398 0.868 0 50 DCAA CN(CCn1cnc2ccccc21)C(=O)C[C@H]1NC(=O)NC1=O 1857675636 BPOGPVCVTGDWMY-LLVKDONJSA-N 315.333 0.093 0 50 DCAA Cc1cc(C[C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)C[C@@H]2O)n[nH]1 1857722446 VQFACSLKIXERBN-YGRLFVJLSA-N 315.377 0.606 0 50 DCAA O=C(NCCC(=O)N1CC[C@H](CO)[C@@H](O)C1)c1ccc(F)cc1 545990520 VFFJHGORZKMDDH-OCCSQVGLSA-N 324.352 0.147 0 50 DCAA CC(C)(CNC(=O)[C@H]1CCCCN1S(C)(=O)=O)C(=O)O 127004147 OZHZBDLAQWQXME-SECBINFHSA-N 306.384 0.028 0 50 DCAA CCn1nc(C)c(CN2CCC[C@](O)(CC(=O)N(C)C)C2)n1 818183736 DLZVAVPTZJNFKR-HNNXBMFYSA-N 309.414 0.412 0 50 DCAA CN1CCCC[C@@H]1CN1CCN(C(=O)[C@H](O)c2cnc[nH]2)CC1 865574342 UAAPYIMNNMFTTG-UKRRQHHQSA-N 321.425 0.072 0 50 DCAA CCc1nn(C)cc1CN1CC[C@H]2OCCN(C(C)=O)[C@@H]2C1 952853087 DDEZAXFGEMGMRN-HZPDHXFCSA-N 306.410 0.804 0 50 DCAA O=C(NC1CC1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 952877055 LESABJTXLCRTJH-LLVKDONJSA-N 318.782 0.258 0 50 DCAA Cn1cncc1[C@@H]1CN(C(=O)c2cnn3ncccc23)C[C@H]1N 952886162 IASWHLJOVMMOGG-VXGBXAGGSA-N 311.349 0.030 0 50 DCAA CN(CCN1C(=O)NC2(CC(O)C2)C1=O)Cc1ccc(F)cc1 1875281020 LHWLHWZXDGDVRL-UHFFFAOYSA-N 321.352 0.703 0 50 DCAA CCn1nc(C)c(Cn2c(=O)c(C(F)(F)F)cn(C)c2=O)n1 1875280910 GEAGTTUQHQDLMG-UHFFFAOYSA-N 317.271 0.534 0 50 DCAA C[C@H]1OCC[C@@]12CN(C(=O)NC13CC(C(=O)O)(C1)C3)CCO2 1875276883 KLMANRFDLGKTOR-XLWNGVOXSA-N 310.350 0.583 0 50 DCAA Cc1nnc([C@H]2CCCN2C(=O)[C@@H]2Cc3nnc(C)n3C2)o1 1875345204 VRPALWSHCIYXTJ-GHMZBOCLSA-N 302.338 0.814 0 50 DCAA O=C(CCc1ccsc1)N1CCC(O)(c2nn[nH]n2)CC1 1771686410 QYIJDIBFMWPZSS-UHFFFAOYSA-N 307.379 0.704 0 50 DCAA O=C(NCCc1nc(=O)o[nH]1)c1cccnc1Br 392285801 LKBBJUBUDDQCNS-UHFFFAOYSA-N 313.111 0.493 0 50 DCAA O=C(COCc1ccccc1)N1CCO[C@H](c2nn[nH]n2)C1 377597831 DTZKTUAVIIOISS-LBPRGKRZSA-N 303.322 0.316 0 50 DCAA Cn1cnnc1CS(=O)(=O)Cc1conc1C(F)(F)F 2325870737 MTDOWDPTRCMTQQ-UHFFFAOYSA-N 310.257 0.937 0 50 DCAA Cn1c(SCCN2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C 351096 TUTBTBLQEYITLX-UHFFFAOYSA-N 323.422 0.538 0 50 DCAA CN1CC[C@@H](O)[C@H](C(=O)NCCN2CCc3ccccc3C2)C1 2356160479 ULITXZLRRLGHKZ-IAGOWNOFSA-N 317.433 0.474 0 50 DCAA CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21 8783052 VYTMGPOUXQSDID-UHFFFAOYSA-N 312.347 0.063 0 50 DCAA Cc1cnn(C)c1S(=O)(=O)N1CCC[C@H](C)[C@@H]1C(=O)O 424367349 LOJNOTQLIGLVCV-WCBMZHEXSA-N 301.368 0.602 0 50 DCAA O=C(Nn1ccccc1=O)c1cccc(C(=O)N2CCCC2)n1 1420924679 XXPZYUKRKDWPQS-UHFFFAOYSA-N 312.329 0.863 0 50 DCAA CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1cccc(F)c1 331124936 HFUMTMUKTPQUFG-GFCCVEGCSA-N 300.355 0.980 0 50 DCAA COCc1cc(CN(C)Cc2cc3n(n2)CCCNC3)n[nH]1 72122402 MVJUWEIQGXSHEH-UHFFFAOYSA-N 304.398 0.878 0 50 DCAA Cn1ccc(C(=O)N2CCCC[C@@H]2c2nc(O)n[nH]2)cc1=O 329160662 FHIHVUJWAQRMGS-SNVBAGLBSA-N 303.322 0.576 0 50 DCAA CN(C)c1cnc(C(=O)N2CCC(Cn3cncn3)CC2)cn1 330303105 JRSOJYRFYRYKNS-UHFFFAOYSA-N 315.381 0.687 0 50 DCAA CN1C[C@@H]2[C@@H](CCCN2C(=O)/C=C/c2cncc(O)c2)C1=O 375588715 WBMYQUMRFZEIPE-KOABKASLSA-N 301.346 0.880 0 50 DCAA N[C@@H]1CCN(C(=O)[C@@H](c2ccccc2F)N2CCOCC2)C1 132318689 ALFQCLLXZKSBOT-IUODEOHRSA-N 307.369 0.759 0 50 DCAA NC(=O)[C@@H]1c2ccccc2CCN1Cc1cc(=O)n2nccc2[nH]1 371591742 GEVPRESFFBTCFB-INIZCTEOSA-N 323.356 0.607 0 50 DCAA C[C@@H](NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O)C(=O)O 71334661 JFSJTKJIZRLUQW-SECBINFHSA-N 319.292 0.639 0 50 DCAA CO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)Cn2nc(C)cc2C)C1 285870065 RISWDEUGIHVQDA-NEPJUHHUSA-N 304.354 0.607 0 50 DCAA C=CC(=O)NCCC(=O)N1CC[C@](C(=O)OC)(C(F)(F)F)C1 285960837 AKHHVGFDZVWHFY-LBPRGKRZSA-N 322.283 0.633 0 50 DCAA O=C1C[C@@]2(CCN(C(=O)c3cnn4c3CCCC4)C2)C(=O)N1 82115311 QGLHNPMXKXMQIK-OAHLLOKOSA-N 302.334 0.098 0 50 DCAA CC(C)[C@H](NC(=O)c1cnc2c(O)cccn2c1=O)C(=O)O 426419958 HYEMXBFTYKLELC-JTQLQIEISA-N 305.290 0.239 0 50 DCAA O=C(N[C@@H]1CCCN(c2ncccn2)C1)C(=O)N1CCCC1 223679250 XUBSCDCMPIVUBW-GFCCVEGCSA-N 303.366 0.184 0 50 DCAA CN1CCN([C@H]2CCN(c3ncnc4c3CCC4)C[C@@H]2O)CC1 214903059 LPOWAQVMTRCSSR-HOTGVXAUSA-N 317.437 0.152 0 50 DCAA COc1cccc(-c2cc(C(=O)NCCS(C)(=O)=O)[nH]n2)c1 91896033 ONVNBQFPUDDPGQ-UHFFFAOYSA-N 323.374 0.860 0 50 DCAA O=C(O)[C@H]1[C@H](C(=O)NCc2ccc3c(c2)OCO3)[C@H]2CC[C@H]1O2 239433180 XHVAQSUMCKGURD-HBJVGIJOSA-N 319.313 0.910 0 50 DCAA O=CN1CCCN(CC(=O)N2CCc3sccc3C2)CC1 294132268 FQACVYCQALCLOV-UHFFFAOYSA-N 307.419 0.797 0 50 DCAA O=C(CCN1CCOCS1(=O)=O)N1CCCc2ccccc21 92107513 LBZDYRIJMRTSPX-UHFFFAOYSA-N 324.402 0.975 0 50 DCAA Cc1nn(C)c2cc(NC(=O)CN3CC(=O)N(C)C3=O)ccc12 627433187 ZCOLJZHGDXSWQA-UHFFFAOYSA-N 315.333 0.714 0 50 DCAA CNC(=O)Cn1cc(NC(=O)CCc2scnc2C)cn1 622316266 KVLNXOILDVDSNO-UHFFFAOYSA-N 307.379 0.965 0 50 DCAA O=C(NCCN1CCC[C@@H](CO)C1)c1cnc(O)c(Cl)c1 299789668 ZTPHRHWWZUBISH-SNVBAGLBSA-N 313.785 0.875 0 50 DCAA CCCn1cc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)cn1 823033285 PHIVFSFWMKKQAZ-JTQLQIEISA-N 300.384 0.192 0 50 DCAA COCCN1CC[C@H](C(=O)NC2(C(N)=O)CCCCCC2)C1 584892189 VIWVBMSFWCQHFM-ZDUSSCGKSA-N 311.426 0.649 0 50 DCAA CN1C[C@@H](CNC(=O)N(C)CCc2ccccn2)OCC1=O 584894219 FJRNDLJCKDCXKJ-CYBMUJFWSA-N 306.366 0.123 0 50 DCAA CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CCCN1CCOCC1 584889909 UWNBYYBTXQFLKH-GJZGRUSLSA-N 313.442 0.323 0 50 DCAA COc1ccc(C(=O)NCCN2CCCC[C@H]2CO)c(OC)n1 670462338 SCHYZJWGZZXBIT-LBPRGKRZSA-N 323.393 0.675 0 50 DCAA C[C@]1(c2cccc(C(=O)N3CCC[C@H](O)C3)c2)NC(=O)NC1=O 269108227 QQWQTISJUCMVFY-BLLLJJGKSA-N 317.345 0.338 0 50 DCAA CN1CC[C@H]2OCCN(C(=O)c3cnc(N(C)C)cn3)[C@@H]2C1 408066415 YBTZEHCWISAOCX-CHWSQXEVSA-N 305.382 0.088 0 50 DCAA CC[C@@H](C)C(=O)NCC(=O)OCCn1nc2ccccn2c1=O 170652965 ZGIBNPIVTWRSPB-LLVKDONJSA-N 320.349 0.202 0 50 DCAA CN(C)CCn1ccc(NC(=O)[C@H]2CCc3cncn3C2)n1 581372770 XHLNAKLTILMKGK-LBPRGKRZSA-N 302.382 0.842 0 50 DCAA COc1cccc(CNC(=O)CN(C[C@H](C)O)[C@@H](C)CO)c1 190808196 AFVUBKBRORSHBT-STQMWFEESA-N 310.394 0.375 0 50 DCAA CCOc1cnc(C(=O)N2CCC3(CC2)NC(=O)[C@H](C)O3)cn1 1615588294 BHFJOUZZYIVBSC-JTQLQIEISA-N 320.349 0.343 0 50 DCAA C[C@H]1CCN(c2ncnc3c2NC(=O)CN3C)CC[S@@]1=O 1615550706 LTZNJKYOTQJCPV-FPVGNUTFSA-N 309.395 0.212 0 50 DCAA O=C([C@@H]1NCCOc2ccccc21)N1CCCS(=O)(=O)CC1 1615614470 HPUCCWOTIJDBGF-CQSZACIVSA-N 324.402 0.357 0 50 DCAA Cn1ccnc1C(=O)NCC[C@@H]1CCCCN1S(C)(=O)=O 1506411703 KCQQPEVXNWRNPJ-NSHDSACASA-N 314.411 0.354 0 50 DCAA Cc1cc(C[C@@H]2CN(C(=O)c3cncc(F)c3)C[C@@H]2O)n[nH]1 1704338384 SDACBOQONPACGY-RISCZKNCSA-N 304.325 0.928 0 50 DCAA Cn1ccnc1C(=O)N1CCC[C@H](Cn2cc(CO)nn2)C1 19742391 NXCSPVKJTKWLPK-NSHDSACASA-N 304.354 0.056 0 50 DCAA O=C(c1nc2ncccn2n1)N1CCc2[nH]nc(C3CC3)c2CC1 1857700551 JFJCWMPTDYBQSR-UHFFFAOYSA-N 323.360 0.966 0 50 DCAA Cc1cn2c(=O)cc(CN3C[C@@H]4CC(=O)N[C@@H]4C3)nc2s1 1857682572 JQBHXXVNSWXGMB-GXSJLCMTSA-N 304.375 0.385 0 50 DCAA COc1ccc(F)cc1C(=O)N1CC[C@](O)(Cn2ccnn2)C1 671500317 REVAYTHRRLLMRQ-OAHLLOKOSA-N 320.324 0.703 0 50 DCAA NC(=O)[C@H]1CC[C@H](CNC(=O)N2CCc3ccccc3CC2)O1 154293741 IFMJRJRQBGDVOH-HUUCEWRRSA-N 317.389 0.830 0 50 DCAA 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HDKHMPIARJQRGD-GFCCVEGCSA-N 318.381 0.875 0 50 DCAA NS(=O)(=O)Cc1cccc(C(=O)N2CCO[C@@H](C3CC3)C2)c1 364500129 BCLWMFWQKNYUJY-CQSZACIVSA-N 324.402 0.726 0 50 DCAA NC(=O)c1ccccc1CC(=O)N1CCO[C@@]2(CCCOC2)C1 375928330 SYCIOEGRVXSSBU-KRWDZBQOSA-N 318.373 0.736 0 50 DCAA CSc1ncc(CNC(=O)[C@H](C)N2CCN(C)CC2)n1C 426396372 GHHKLSRJGWIDLD-NSHDSACASA-N 311.455 0.394 0 50 DCAA CCC[C@@H](NC(C)=O)C(=O)NCc1nc(C(F)(F)F)n[nH]1 584889182 HNZMWFJWINLBLP-SSDOTTSWSA-N 307.276 0.745 0 50 DCAA CN1CCN([C@@H]2CCN(C(=O)c3cc(F)ccc3O)C2)CC1 584900689 QPDCHCXBLOEESU-CYBMUJFWSA-N 307.369 0.993 0 50 DCAA C[C@]1(C(=O)Nc2ccc3oc(C(N)=O)nc3c2)CCC(=O)NC1 585128237 WSRVBULOLVOPFA-HNNXBMFYSA-N 316.317 0.782 0 50 DCAA NC(=O)CC(=O)Nc1cc(I)ccc1O 611157023 VVVWPRWOWJMPEE-UHFFFAOYSA-N 320.086 0.811 0 50 DCAA O=C(NCCC1CCS(=O)(=O)CC1)c1cnn2c1CCC2 622476982 IVOONFUOTVGSQF-UHFFFAOYSA-N 311.407 0.774 0 50 DCAA O=S(=O)(C[C@H]1CNCCO1)NCc1c(F)cccc1Cl 630095431 LPCUJOAGMFXPIM-SECBINFHSA-N 322.789 0.887 0 50 DCAA 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316.409 0.981 0 50 DCAA CCc1cnc(CN(C(C)=O)[C@H]2CCN([C@H]3CCOC3=O)C2)o1 257365949 CXWGGNKRUDIKNM-JSGCOSHPSA-N 321.377 0.975 0 50 DCAA Cn1cc(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)ccc1=O 219853033 MAUAXZNSHTXNKA-GJZGRUSLSA-N 320.389 0.947 0 50 DCAA Cc1c[nH]cc(C(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)c1=O 334033483 ZJJVFIIPLZINAK-ZYHUDNBSSA-N 307.350 0.049 0 50 DCAA CN(C[C@H]1Cc2ccccc2O1)C(=O)CN1C(=O)CNC1=O 215096649 NBTNPNZLBIVPKC-LLVKDONJSA-N 303.318 0.000 0 50 DCAA Cc1ccn(CC(=O)N[C@H]2CCO[C@@H]2c2ccnn2C)c(=O)c1 285459086 LIQJWLATGIHWGC-LRDDRELGSA-N 316.361 0.537 0 50 DCAA N[C@@H]1CCN(Cc2cc(Cl)ccc2OCC(=O)O)C[C@H]1O 82097447 FTERRXSSIZDJLG-VXGBXAGGSA-N 314.769 0.697 0 50 DCAA O=C(O)Cn1nccc1[C@H]1CCCN(CCn2cnnc2)C1 426647004 GZOIGVWDPFWROG-LBPRGKRZSA-N 304.354 0.439 0 50 DCAA O=C(CN1CCN(Cc2ccoc2)C[C@H](O)C1)N1CCCCC1 225326457 MLRRCXYUERLTEL-INIZCTEOSA-N 321.421 0.771 0 50 DCAA C[C@@H]1NC(=O)CC[C@H]1NC(=O)CN1C(=O)Cc2ccccc21 614454631 IJGGGVZUFUOZJM-CMPLNLGQSA-N 301.346 0.359 0 50 DCAA 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MHRFQELRNYZGQJ-NSHDSACASA-N 311.386 0.788 0 50 DCAA COCCOCCN(C)CCC(=O)N1CCCSCC1 585120978 AUNANYJWLVSCIU-UHFFFAOYSA-N 304.456 0.937 0 50 DCAA CS(=O)(=O)C1CCC(C(=O)N[C@]23CCC[C@H]2CNC3)CC1 1615552831 FEAAEQRRBJQQPI-GWIFJHRUSA-N 314.451 0.848 0 50 DCAA CC1(C)OC[C@H](/C=C/C(=O)N2CCC[C@H](N3CCNC3=O)C2)O1 1627363722 GFQLGKOAPYSZNS-AAAGKOELSA-N 323.393 0.710 0 50 DCAA O=C(c1csc(-c2ncccn2)n1)N1CC[C@@H](O)[C@@H](CO)C1 1418047698 AVFLXDTYPGSBFT-MWLCHTKSSA-N 320.374 0.415 0 50 DCAA C[C@]1(O)CC2(CCN(C(=O)c3cccc(O)n3)CC2)OC[C@@H]1O 1704343386 BRTMOKPQEZEDLD-WFASDCNBSA-N 322.361 0.294 0 50 DCAA CO[C@@H]1C[C@H](C(=O)NCc2ccc(C(N)=O)cc2)CC[C@@H]1O 1704330405 IMVGGTJCGVQDCL-HZSPNIEDSA-N 306.362 0.578 0 50 DCAA Cc1ccn(CCC(=O)N2C[C@H](C(=O)O)C3(CCOCC3)C2)n1 1800409699 JUHJPPZTJRLEKM-CYBMUJFWSA-N 321.377 0.921 0 50 DCAA C[C@H]1CN(Cc2ccccc2)CCCN1CC(=O)NC(N)=O 121020647 KLBYSQJDKXOQHW-ZDUSSCGKSA-N 304.394 0.778 0 50 DCAA CCc1nc(N)nc(N2C[C@@H]3COCC[C@]3(C(=O)O)C2)c1C 1772705628 YZVDEXYPWIPTEI-BMIGLBTASA-N 306.366 0.857 0 50 DCAA COc1ccccc1OCC(=O)N1CC[C@@]2(CNC(=O)CO2)C1 1772813731 RAHOHYCQRJDPGK-MRXNPFEDSA-N 320.345 0.192 0 50 DCAA CC(C)C[C@H](NC(=O)[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)O 11592556 VGGGPCQERPFHOB-MELADBBJSA-N 308.378 0.533 0 50 DCAA biogenic,in-vitro CN1CCN(C(=O)[C@@H]2CCn3nccc3C2)CC12CCOCC2 1857731706 XYBOVPYGZBFMKL-CQSZACIVSA-N 318.421 0.769 0 50 DCAA COc1cncc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2C(=O)O)c1 424364119 CTKKXZNXQSQESP-JOYOIKCWSA-N 314.363 0.964 0 50 DCAA CO[C@H]1C[C@@H](C(=O)Nc2ccc(N3CCOCC3)nc2)N(C)C1 332097194 CDQPUSLXTKGIHO-KBPBESRZSA-N 320.393 0.576 0 50 DCAA CNC(=O)c1cc(O[C@H]2CCCN(CC(OC)OC)C2)ccn1 585116075 GLFMTRPUVSKZAM-ZDUSSCGKSA-N 323.393 0.903 0 50 DCAA CO[C@@H]1CCN(C(=O)c2cn(Cc3ncc(Cl)n3C)nn2)C1 900487061 IBWLFKZPCVTZFW-SECBINFHSA-N 324.772 0.574 0 50 DCAA O=C(C[C@H]1CNCCO1)NCc1ccc(N2CCOC2=O)cc1 832135228 OOVITJVFASRWBX-AWEZNQCLSA-N 319.361 0.638 0 50 DCAA COc1cccnc1NC(=O)N[C@H](C)[C@H]1CN(C)CCN1C 952884304 XHLHZKUCSLWLCT-VXGBXAGGSA-N 307.398 0.846 0 50 DCAA Cn1cc(N2C[C@H](NC(=O)OCC(F)(F)F)CC2=O)cn1 1875273699 GQTCAIBFEOIWMO-SSDOTTSWSA-N 306.244 0.814 0 50 DCAA CN(C)C/C=C/C(=O)N1CC[C@H](NC(=O)CC(F)(F)F)C1 1875379230 PYSCTBSPSWBLOP-FSIBCCDJSA-N 307.316 0.774 0 50 DCAA COc1ccc(-n2cccn2)cc1CN1C[C@H](O)C[C@H]1C(=O)O 1875317204 QUQFEYGIPNFLOJ-KGLIPLIRSA-N 317.345 0.901 0 50 DCAA C=CC(=O)N1CCC(C(=O)N2CCC(C(=O)OC)CC2)CC1 1875365651 LKTJQKCDESVDHL-UHFFFAOYSA-N 308.378 0.823 0 50 DCAA CC(=O)N1CC(OCC(=O)N2CCN(C)C[C@H]2CC(C)C)C1 886600222 PNIKIDSPCRFPGF-CQSZACIVSA-N 311.426 0.422 0 50 DCAA CN1CCO[C@H]2CCN(C(=O)Cc3cccc(C(=O)O)c3)C[C@@H]21 888096218 NXMCWACJIACVJR-GJZGRUSLSA-N 318.373 0.859 0 50 DCAA CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(CC(=O)N2CCOCC2)C1 888102708 HWCKYZVQVPENDK-KGLIPLIRSA-N 322.409 0.647 0 50 DCAA COCC[C@@H](CO)NC(=O)C[C@@H](CNC(C)=O)CC(C)C 1775988665 BVIGMOGNFOJMAN-KBPBESRZSA-N 302.415 0.689 0 50 DCAA C[C@@H](NS(C)(=O)=O)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1776006177 RWOGDAJOHDTZNN-SNVBAGLBSA-N 322.427 0.686 0 50 DCAA C=CC(=O)NCCNC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 1322441620 ZIQUPMCJEKDANN-LBPRGKRZSA-N 322.386 0.366 0 50 DCAA CCOC(=O)C1=NN[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]12 100048861 ZXMSFIQJVKQWGR-GHMZBOCLSA-N 317.301 0.076 0 50 DCAA CS(=O)(=O)[C@H]1CCC[C@H](NCC2(S(C)(=O)=O)CCC2)C1 408012624 KVXJGZFIODKCQO-RYUDHWBXSA-N 323.480 0.899 0 50 DCAA CCN(CC(=O)O)S(=O)(=O)c1cnn(CC2CCC2)c1 2325772443 VCNBGGSZODISGG-UHFFFAOYSA-N 301.368 0.778 0 50 DCAA COCCOCCC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1 225510541 OXCAWLHHXQFAGA-CQSZACIVSA-N 324.425 0.867 0 50 DCAA O=C(O)c1ccc(S(=O)(=O)N2CCO[C@@H](CF)C2)cc1F 414353455 SFVJVQRPXGQCRS-QMMMGPOBSA-N 321.301 0.883 0 50 DCAA COc1cccc(OCc2cc(C(=O)NC[C@H](O)CO)n[nH]2)c1 67805333 JGVSSTWEODHLBV-NSHDSACASA-N 321.333 0.080 0 50 DCAA CCc1noc(CN(C)c2nccc(N3CC[C@H](O)C3)n2)n1 1506428461 PFEUHYSNMQXPCD-JTQLQIEISA-N 304.354 0.629 0 50 DCAA C[C@H](O)CN1CCN(C[C@@H](O)COCc2ccco2)C[C@@H]1C 229554258 QYAHEFNWCDMCHN-SOUVJXGZSA-N 312.410 0.544 0 50 DCAA Cc1c(Cl)c(C(=O)N2CCC[C@@](O)(CO)CC2)nn1C 72128377 FTGDKGLXINCBCA-ZDUSSCGKSA-N 301.774 0.731 0 50 DCAA COCCc1noc(CN2CCC[C@@]3(C2)CN(C)C(=O)O3)n1 72134523 VQHSIJSNYXKZGP-AWEZNQCLSA-N 310.354 0.675 0 50 DCAA NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@]2(CCOC2)C1 153045052 ZKRVCDLXPCFEEE-YOEHRIQHSA-N 317.389 0.905 0 50 DCAA O=C(c1nc(=O)c2ccccc2[nH]1)N1CC(F)(F)C[C@@H]1CO 364657277 MAPPQPRAQVXRDL-MRVPVSSYSA-N 309.272 0.765 0 50 DCAA CCN1CCN(CC(=O)N[C@@H](C(=O)NC)c2ccccc2)CC1 76425145 QKRPCGYCGAWYHY-MRXNPFEDSA-N 318.421 0.227 0 50 DCAA COc1ccc(CC(=O)N2CCO[C@@H](c3nn[nH]n3)C2)cc1F 370862550 QOFHOAFHXPICQR-GFCCVEGCSA-N 321.312 0.490 0 50 DCAA CCn1c(O)nc2cc(C(=O)N[C@H](C)C(=O)O)ccc2c1=O 262718283 HFRHLZIEOZLLGL-SSDOTTSWSA-N 305.290 0.325 0 50 DCAA NC(=O)[C@@H]1CN(C(=O)c2ccc(F)cn2)C[C@H]1C(F)(F)F 299746022 UUJCIWZOMJPUFH-HTQZYQBOSA-N 305.231 0.957 0 50 DCAA CN(C)c1nccc(N2CCN(C(=O)[C@H]3CCC[C@@H]3N)CC2)n1 237170851 MRBUZFCGQUAISU-STQMWFEESA-N 318.425 0.319 0 50 DCAA COc1cncc(S(=O)(=O)N2CCn3nc(C)nc3C2)c1 282479428 FAOKLZADSHVZOH-UHFFFAOYSA-N 309.351 0.195 0 50 DCAA C[C@H]1CCS(=O)(=O)CCN1C(=O)c1cn2c(n1)CCCC2 337745985 NUVSTKDXLCZUHQ-NSHDSACASA-N 311.407 0.869 0 50 DCAA CC(C)(CNC(=O)[C@@H]1CCCCN1C(=O)c1ccco1)C(N)=O 131797877 LDXBZBLVLLWHBG-NSHDSACASA-N 321.377 0.902 0 50 DCAA CS(=O)(=O)NCCC(=O)NC[C@H]1COc2ccccc2C1 42723567 MZTWJJFSFCOVMI-NSHDSACASA-N 312.391 0.293 0 50 DCAA Cn1ccc(Nc2ccc(C(=O)N3C[C@@H](O)C[C@H]3CO)cc2)n1 613091253 OIONUZCGSXTCOB-KBPBESRZSA-N 316.361 0.731 0 50 DCAA C[C@@H](C(=O)NCCCn1nnc2ccccc21)N1CCCC1=O 97522079 VRHCRAYEYHVBML-LBPRGKRZSA-N 315.377 0.949 0 50 DCAA CN1C(=O)C[C@@H](C(=O)O)C12CCN(Cc1ncccn1)CC2 91965975 NFFZORBRQOHQMB-NSHDSACASA-N 304.350 0.374 0 50 DCAA CCc1nc(N)nc(N(C)Cc2nncn2CCOC)c1C 91440964 ZRFAYBWZLYGNTK-UHFFFAOYSA-N 305.386 0.804 0 50 DCAA COc1ccc(C(=O)N2CCN([C@@H]3CCNC3)CC2)c(OC)n1 244874995 XKWLHOLAJOKLHG-GFCCVEGCSA-N 320.393 0.219 0 50 DCAA COCCN(CC(=O)O)C(=O)c1cc(C(F)(F)F)nn1C 299800855 WASQYRZGMAYTRE-UHFFFAOYSA-N 309.244 0.612 0 50 DCAA COc1ccc(CN2CCN(C(=O)[C@H]3C=CCN3)CC2=O)cc1 299756557 HCBZWZCKMYPLBK-OAHLLOKOSA-N 315.373 0.394 0 50 DCAA CN1CCN(C(=O)CCC(=O)NC2CCCC2)C[C@H]1CCO 584888691 VQBBMXPODAERSN-CQSZACIVSA-N 311.426 0.350 0 50 DCAA CCn1cc(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)c(C)n1 685942214 MEZQDTWXKZRXCG-QWHCGFSZSA-N 305.338 0.511 0 50 DCAA CN(C)[C@@H]1CN(Cc2c(C3CC3)cnn2C)C[C@@H]1n1ccnn1 862498318 DIVFBDDNNQGUOO-CVEARBPZSA-N 315.425 0.876 0 50 DCAA O=C(O)CN1CCCC[C@@H](N2CC[C@@H](CN3CCCC3)C2)C1=O 643875148 MFNVHUCMEPACLL-LSDHHAIUSA-N 323.437 0.870 0 50 DCAA C[C@H](C(=O)N[C@H](c1ccccc1)c1nccn1C)n1cnnn1 1614476530 ISZGUWLGGOJGJR-DGCLKSJQSA-N 311.349 0.873 0 50 DCAA CO[C@H]1[C@H](OC(C)=O)[C@@H](C)O[C@H](OC(C)=O)[C@@H]1OC(C)=O 5673815 PYFNMYOLTSCFQY-HVWSPFAKSA-N 304.295 0.173 0 50 DCAA C[C@H]1NC(=O)[C@H]2CN(C(=O)Oc3ccccc3)CCN2C1=O 14746333 HVYQUUCUCYZTQO-ZYHUDNBSSA-N 303.318 0.217 0 50 DCAA CC[C@@H]1NC(=O)[C@H]2CN(Cc3ccccc3OC)CCN2C1=O 14748156 JCWLOCJIBCYTPU-UONOGXRCSA-N 317.389 0.616 0 50 DCAA CNC(=O)NC(=O)[C@@H](C)N1C[C@H]2CCCC[C@]2(C(=O)OC)C1 1857533322 ONQGTGRFGYXFAW-HFAKWTLXSA-N 311.382 0.496 0 50 DCAA CCn1ncnc1[C@H](C)NC(=O)c1cc2n(n1)CCN(C)C2=O 1857683324 ZOCFWLIRUCBMNU-VIFPVBQESA-N 317.353 0.071 0 50 DCAA Cc1nc(CC(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3C)cs1 1857716356 IKDPWJGDNXHQAP-PWSUYJOCSA-N 309.391 0.310 0 50 DCAA CCc1c(C(=O)N2CCC[C@@](O)(CC(=O)NC)C2)ccn1C 644033241 OGWTVEWIDQLQDJ-MRXNPFEDSA-N 307.394 0.691 0 50 DCAA CCOC(=O)c1coc(N2C[C@@H]3OCCC(=O)N(C)[C@H]3C2)n1 1875248416 OYUXIUQWUJWSLP-QWRGUYRKSA-N 309.322 0.287 0 50 DCAA CCn1ccc(CN2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)n1 1704340221 QGXWDUXXQDIUAK-JSGCOSHPSA-N 308.382 0.120 0 50 DCAA CC[C@H](C)CS(=O)(=O)N1CCC[C@H](c2nc(=N)n(C)[nH]2)C1 1875289467 UQEZBTWWEFGSTD-QWRGUYRKSA-N 315.443 0.783 0 50 DCAA CSC1CCN(c2nnnn2CCCS(C)(=O)=O)CC1 1875272397 XFTSGBCNOGDQCU-UHFFFAOYSA-N 319.456 0.440 0 50 DCAA CNS(=O)(=O)c1ccc(C(=O)N2CC(c3ncc[nH]3)C2)cc1 1875296690 JIKTZLDEJHJSFW-UHFFFAOYSA-N 320.374 0.557 0 50 DCAA CCOC(=O)c1cnc(N2CCO[C@H](c3nc[nH]n3)C2)nc1 1875342121 YMZOYLLPAHPOTJ-JTQLQIEISA-N 304.310 0.349 0 50 DCAA CCOC1CC(O)(CNC(=O)[C@@H]2CCCO[C@H]2c2ncc[nH]2)C1 886088458 HDDNEOVIQQTLKX-LGESCRJUSA-N 323.393 0.924 0 50 DCAA O=C(c1ccc(-n2cnnn2)cn1)N1CCOC[C@@H]1CC1CC1 886472947 NFAAHQZINNOMCC-ZDUSSCGKSA-N 314.349 0.698 0 50 DCAA CN1C(=O)[C@@H]2CCC[C@H]1CN(c1ncc3ncn(C)c3n1)C2 2100543158 NFUAYBDSPIYDIM-MNOVXSKESA-N 300.366 0.810 0 50 DCAA COCCN1CCC[C@@]2(CCCN2C(=O)c2cnn[nH]2)C1=O 2356136126 HPHLBXUBQLRJBH-CQSZACIVSA-N 307.354 0.048 0 50 DCAA COc1ccc(-c2nnn(Cc3nnc(N)s3)n2)cc1OC 2972076 FMNSOOISTPRGAU-UHFFFAOYSA-N 319.350 0.839 0 50 DCAA Cc1ccc(S(=O)(=O)NN2CC[S@](=O)[C@@H](C)C2)cc1 8575927 HYEVSGUCCBFFMK-BBATYDOGSA-N 302.421 0.641 0 50 DCAA CC(C)(C)SCCN1CC(=O)N2CC[C@@H](O)C[C@H]2C1=O 65407693 AQUDITIALDONFU-MNOVXSKESA-N 300.424 0.712 0 50 DCAA O=C(Cn1c(=O)nc(O)c2ccccc21)N(CCO)CC1CC1 345008682 MGZQQBHCNWVGJN-UHFFFAOYSA-N 317.345 0.333 0 50 DCAA CN1CCN(C(=O)c2ccccc2-n2cncn2)C[C@H]1C(=O)O 67654390 GFNTXXMSQRYAFN-ZDUSSCGKSA-N 315.333 0.108 0 50 DCAA 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DCAA O=C(O)CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O 8765469 RKVIQLDRKRRNBM-VIFPVBQESA-N 306.274 0.701 0 50 DCAA biogenic Cc1cc(C(=O)NCCn2c(C)cc(C)nc2=O)nc(C)n1 65468787 HUCQQDQJTXBRGY-UHFFFAOYSA-N 301.350 0.697 0 50 DCAA C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)c1nnnn1C 252483812 FIXIMQMZDZELOT-LBPRGKRZSA-N 315.381 0.803 0 50 DCAA COc1ccccc1N1CC[C@@H](CNC(=O)[C@H]2CNC(=O)N2)C1 252512467 QXHJYNZDLAPPOQ-NWDGAFQWSA-N 318.377 0.319 0 50 DCAA O[C@@H]1[C@@H](Oc2ccc(Br)cc2)OC[C@@H](O)[C@H]1O 484962 RYMCGIWYPIFYRA-CHWFTXMASA-N 305.124 0.267 0 50 DCAA biogenic CSCC[C@H](O)C(=O)NCCc1nc(-c2ccccn2)no1 215614579 RPRBAYMEPCHUIL-NSHDSACASA-N 322.390 0.904 0 50 DCAA CNC(=O)[C@H]1CCCN(C(=O)c2n[nH]c(=O)c3ccccc23)C1 323089011 XLHQXUFPUFVHNJ-JTQLQIEISA-N 314.345 0.521 0 50 DCAA Cc1noc2ncc(S(=O)(=O)N[C@H](C)C[S@](C)=O)cc12 330864053 YFOOHQPMTVNCPR-XJZHNMMOSA-N 317.392 0.577 0 50 DCAA CN1CC(=O)N(CC(=O)N2CCC[C@H]2c2cccnc2)C1=O 78740101 ZAYQEAGGMCTUTI-LBPRGKRZSA-N 302.334 0.639 0 50 DCAA CCCC[C@H](NC(N)=O)C(=O)N1CCC(OCCO)CC1 357917286 VDERHWBSQDKOJP-LBPRGKRZSA-N 301.387 0.213 0 50 DCAA C[C@]1(c2ccccn2)NC(=O)N(Cc2nnnn2C2CC2)C1=O 151675035 BWLNRCIEQVBAGO-CQSZACIVSA-N 313.321 0.370 0 50 DCAA O=C(CSc1nncs1)N1CCC[C@H]1Cn1ccnn1 329015205 JTXNWYQGHWOTDJ-VIFPVBQESA-N 310.408 0.913 0 50 DCAA CCn1cnc2c(c1=O)CCN([C@H]1CCN(C3CC3)C1=O)C2 329177902 MDMMJDCDLOTAQN-AWEZNQCLSA-N 302.378 0.385 0 50 DCAA CN(C(=O)C(N)=O)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 72126470 BESBQJGNKYPRMR-CQSZACIVSA-N 301.390 0.562 0 50 DCAA O=C(NCCc1csc(-c2ccncc2)n1)[C@@H]1CNCCO1 72128399 HHURMMWLANMICP-ZDUSSCGKSA-N 318.402 0.852 0 50 DCAA Cc1ccc(CC(=O)N2CCN(C(=O)CCCN)CC2)cc1 237668362 MXSWEPUDZVPMNP-UHFFFAOYSA-N 303.406 0.947 0 50 DCAA CS(=O)(=O)c1cnc(N2CCCC2)nc1[C@@H]1CCCNC1 72478788 HGCRXJNUTMLAFH-LLVKDONJSA-N 310.423 0.947 0 50 DCAA O=C(O)CO[C@H]1CCOC[C@H]1NC(=O)c1cnc(C2CC2)nc1 222394423 YFZMAWCLSNMYNT-NEPJUHHUSA-N 321.333 0.343 0 50 DCAA NCCCOc1ccc(C(=O)NCCc2nn[nH]n2)cc1Cl 426727560 WQMZMOFYCIAMES-UHFFFAOYSA-N 324.772 0.553 0 50 DCAA CCc1nnc([C@H]2CN(C(=O)c3c[nH]cc(C)c3=O)CCO2)o1 332379629 YLFHRGIOHKDYBH-LLVKDONJSA-N 318.333 0.842 0 50 DCAA O=C(N[C@H]1C[C@@H](O)[C@@H]1n1cccn1)c1cnc2ccccc2n1 616768135 ZXOUIUITGLYYIN-NWANDNLSSA-N 309.329 0.931 0 50 DCAA O=C(c1cc(=O)[nH]c(O)n1)N1CCC[C@@](CO)(CC2CC2)C1 91412388 XFEVPRSUPDGCCP-OAHLLOKOSA-N 307.350 0.490 0 50 DCAA CO[C@@H]1CCN(C(=O)Cn2c(=O)c(C)nc3ccccc32)C1 95521822 AYIMCXQMXRHKJQ-GFCCVEGCSA-N 301.346 0.952 0 50 DCAA O=C1CCCN1CCCC(=O)N1CCC2(CC1)[C@@H](O)C[C@H]2O 92096857 OZLXUJJDVFNBKC-BETUJISGSA-N 310.394 0.123 0 50 DCAA C[C@H]1CNCCN1S(=O)(=O)CCOc1ccccc1F 534669297 XOGYZRLDTKSLOI-NSHDSACASA-N 302.371 0.828 0 50 DCAA COc1cc(CCNC(=O)CCn2nnnc2C)cc(OC)c1 299792615 HFJLNOLQHBEKBA-UHFFFAOYSA-N 319.365 0.748 0 50 DCAA Cn1cc(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)c2ccccc21 299770615 XALCBBFRZQMQMC-NSHDSACASA-N 321.402 0.929 0 50 DCAA Cc1nonc1CNC(=O)[C@H](c1cccnc1)N1CCOCC1 584889812 BBNNCJOAXQCCIB-AWEZNQCLSA-N 317.349 0.463 0 50 DCAA COCCN(C)CC(=O)N[C@H]1COCC[C@@H]1Oc1ccccn1 1565516444 IKHLIULARTWQGF-KBPBESRZSA-N 323.393 0.312 0 50 DCAA O=c1[nH]ccnc1N1CCN(CCN2C[C@@H]3CC[C@H]2C3)CC1 1565528423 CGWWBCWXCQKBCV-KGLIPLIRSA-N 303.410 0.376 0 50 DCAA Cc1cc(C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)cc(O)n1 408126146 KEJKHARCJWCYPE-UHFFFAOYSA-N 318.333 0.252 0 50 DCAA CCn1cc(CCN2CCC[C@](O)(CC(=O)N(C)C)C2)cn1 643812209 JCWLEVHYGADVCI-INIZCTEOSA-N 308.426 0.751 0 50 DCAA COCc1ccccc1CNC(=O)CN1CCCC[C@@H](O)C1=O 644300403 MAXFIZQTSNSNKZ-OAHLLOKOSA-N 320.389 0.823 0 50 DCAA CC(C)(C)c1ccc(S(=O)(=O)NC[C@@H](O)C(=O)O)s1 578379927 KNVKHSVRFAHPIP-SSDOTTSWSA-N 307.393 0.769 0 50 DCAA COC[C@@H]1CN(C(=O)c2ccccc2Cn2ccnn2)CCO1 669168461 LLRFYDZRTKCJFU-AWEZNQCLSA-N 316.361 0.814 0 50 DCAA Cc1nn(C)c(C)c1S(=O)(=O)N(C)[C@@H]1CN2CCC1CC2 583651697 RJHCANKQWNUPNM-CYBMUJFWSA-N 312.439 0.752 0 50 DCAA CCC(=O)N1CCN(C(=O)c2ccccc2-n2cnnn2)C1 583808388 RAXXJASZYMGWCU-UHFFFAOYSA-N 300.322 0.314 0 50 DCAA CN(C)c1nccc(CNC(=O)N2CCC[C@H](CC(=O)O)C2)n1 584769028 ZOMNQGYGLYUBGD-LLVKDONJSA-N 321.381 0.939 0 50 DCAA O=C(c1ccnc(Cl)c1F)N1CCO[C@H](c2nn[nH]n2)C1 766876227 YUHJDXXZYJAOEW-ZETCQYMHSA-N 312.692 0.601 0 50 DCAA CN(C)c1ccc(C(=O)N[C@@H]2C(=O)NCC23CCOCC3)cc1 1615547634 KCSJOQCULXYCNE-CQSZACIVSA-N 317.389 0.778 0 50 DCAA CO[C@H]1CCOC[C@@H]1NC(=O)CN1Cc2ccccc2C1=O 1616180320 VNGOBDDRRQJLKP-KBPBESRZSA-N 304.346 0.563 0 50 DCAA CN(CC[C@@H]1CCCCO1)C(=O)CN1C(=O)NC(C)(C)C1=O 1506425180 DHJJTSZBEGTTDV-NSHDSACASA-N 311.382 0.734 0 50 DCAA CC1(C)CC(CC(=O)N2C[C@H]3[C@@H](C2)C3(CO)CO)CC(C)(C)N1 1772805511 MLDNMJDVIMIDQK-OKILXGFUSA-N 324.465 0.993 0 50 DCAA O=C1CO[C@@]2(CCN(C(=O)COc3ccccc3Cl)C2)CN1 1772814856 RPVCQVCLXYMXED-HNNXBMFYSA-N 324.764 0.836 0 50 DCAA COc1ccc(N2C[C@H](C(=O)N3CCN(C)CC3)CC2=O)cc1 19928771 FSHAUEUMDBITQL-CYBMUJFWSA-N 317.389 0.822 0 50 DCAA Cc1nn[nH]c1C(=O)N1CC[C@@]23OC[C@@H](C(C)C)N2C(=O)C[C@@H]13 1857706303 POTAJDIGLWKXJV-RWSFTLGLSA-N 319.365 0.311 0 50 DCAA CCOCCC(=O)N1CCO[C@@H](CN(C)C)[C@@H]1c1cnn(C)c1 1857720208 JNQJPGMBQYTFKL-HOCLYGCPSA-N 324.425 0.677 0 50 DCAA NC(=O)NCC(=O)N[C@H]1CCOC[C@@H]1OCc1ccccc1 709992593 MRNSVBSQPGTESG-STQMWFEESA-N 307.350 0.145 0 50 DCAA CC(C)c1ncc(S(=O)(=O)N[C@@H]2CCCn3ncnc32)[nH]1 328610477 HYTBKBGYKMCFPQ-SECBINFHSA-N 310.383 0.938 0 50 DCAA Cc1noc(C2(C)CCN(C[C@@H](O)CN3CCOCC3)CC2)n1 364696222 LHCSJPAPNLYVLM-CQSZACIVSA-N 324.425 0.425 0 50 DCAA CC(C)[C@H](N)C(=O)NCC(=O)N(C)CCN(C)c1ccccc1 263114664 FLWNCGMKYIEYPG-INIZCTEOSA-N 320.437 0.681 0 50 DCAA CCn1cnc2c(N3CCO[C@H](CNC(C)=O)C3)ncnc21 265472632 QANTZTQBUPBGON-LLVKDONJSA-N 304.354 0.188 0 50 DCAA O=C(O)C1(S(=O)(=O)N[C@@H]2COc3ccccc3C2)CCC1 905035042 NAHBXOUABQUHKP-NSHDSACASA-N 311.359 0.917 0 50 DCAA Cc1nccnc1N1CCN(C[C@@H]2CCC3(COC3)O2)CC1 930320267 ZIZFZYRCEVYNSH-AWEZNQCLSA-N 304.394 0.855 0 50 DCAA CNC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1cc(C)nc(O)c1)C2 952850367 LTDJWYLMLHEJGI-WBMJQRKESA-N 319.361 0.320 0 50 DCAA C[C@H](CS(=O)(=O)N(C)C)Nc1cnn(-c2ccncc2)c1 1875285254 HYHHZULLGAQUCP-LLVKDONJSA-N 309.395 0.959 0 50 DCAA CC(C)c1nc(CN2CCN(CCN3CCNC3=O)CC2)no1 1875252003 CRFRSGLUNWOSKC-UHFFFAOYSA-N 322.413 0.336 0 50 DCAA Cn1cnnc1C[C@]1(O)CCCN(Cc2ccncc2F)C1 886088446 HASPFRIBCABXQR-OAHLLOKOSA-N 305.357 0.919 0 50 DCAA COC(=O)[C@@H]1C[C@H]1[C@@H](C)NC(=O)c1cnc2[nH]nc(O)c2c1 2325876585 ZYPMWPLHCUZCTQ-BWVDBABLSA-N 304.306 0.591 0 50 DCAA O=C(c1onc2ncccc12)N1C[C@H]2[C@@H](CO)[C@@H]3CC[C@@]2(C1)O3 2356142280 LXQRADLCVOCVLS-YRORDHRNSA-N 315.329 0.835 0 50 DCAA NC(=O)[C@]1(O)CCCN(c2cnc3cc(F)c(F)cc3n2)C1 225476125 QLSKGSWZILREDC-AWEZNQCLSA-N 308.288 0.725 0 50 DCAA Nc1nc2c(c(=O)[nH]1)[C@H](c1ccc3c(c1)OCO3)CC(=O)N2 9318136 VGKORTWRSRSTNW-ZETCQYMHSA-N 300.274 0.555 0 50 DCAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1nc2cccc(C)n2c1F 67674863 QRWSSQKQKWXEOS-ZJUUUORDSA-N 319.340 0.070 0 50 DCAA COC[C@H](O)CN(C)C[C@@H]1C[C@H](F)CN1Cc1noc(C)n1 345952159 KWSIQASINQBFOH-RWMBFGLXSA-N 316.377 0.230 0 50 DCAA O=C(c1cc2n(n1)CCO2)N1CCC[C@@H](Cn2cncn2)C1 329443992 BALRRTQZSBUIDA-LLVKDONJSA-N 302.338 0.419 0 50 DCAA CCN(C[C@@H](O)COc1ccccc1C(C)=O)S(=O)(=O)O 22589994 ZSSJYDCNXFQXIO-LLVKDONJSA-N 317.363 0.754 0 50 DCAA Cn1cnnc1Sc1ccc(CN2CCOC[C@H](O)C2)o1 77452848 MCKQZKQNDGQEHK-SNVBAGLBSA-N 310.379 0.752 0 50 DCAA CN1CCN(C(=O)COC[C@H]2CCCO2)C[C@H]1c1nccn1C 328616994 CGFGZRXZBHAYAM-KGLIPLIRSA-N 322.409 0.431 0 50 DCAA Cc1cnc2c(Cl)c(C(=O)N[C@@H]3COCC[C@H]3O)nn2c1 219594877 KQEPQXOEJOKWEY-RKDXNWHRSA-N 310.741 0.571 0 50 DCAA CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc(C)o1 332736317 YMBQTZRFKKGZCR-SNVBAGLBSA-N 322.408 0.290 0 50 DCAA C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCC(O)(C(=O)O)CC1 262537622 UNARRHWAHPXJBE-MFKMUULPSA-N 321.329 0.653 0 50 DCAA COC[C@@H]1CN(S(=O)(=O)c2ccnn2C)CC(C)(C)O1 284904149 HTKCJXAUXUZGPI-JTQLQIEISA-N 303.384 0.235 0 50 DCAA CCc1nnc(CN2CCN(c3ccnc(C)n3)CC2)n1C 174731851 KNGZPXBFLQREQS-UHFFFAOYSA-N 301.398 0.798 0 50 DCAA O=C(N[C@H]1C[C@H](c2ccccc2)C1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 614373744 ZTNJGPBFCYWASV-JPIRQXTESA-N 303.358 0.462 0 50 DCAA O=C(NCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)O)c1ccccc1F 244811722 SJYAHCAYWGUELU-YABSGUDNSA-N 320.320 0.735 0 50 DCAA O=C(NC1CC1)[C@@H](O)C1CCN(C[C@@H](O)C(F)(F)F)CC1 299748148 GGDNAAXFMSAFEZ-MNOVXSKESA-N 310.316 0.261 0 50 DCAA O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1ccc2nncn2c1 299751472 QPAQKYQWSSZLIS-GFCCVEGCSA-N 318.333 0.825 0 50 DCAA C[C@H](NC(=O)c1ncn([C@@H]2CCCNC2)n1)c1cnn(C)c1 299752590 URHNKUVAWVDWJN-CMPLNLGQSA-N 303.370 0.427 0 50 DCAA O=C(C[C@@H]1CNCCO1)NCc1ccc(N2CCCC2=O)cc1 261850496 ZVRVAZXEWJCECY-OAHLLOKOSA-N 317.389 0.808 0 50 DCAA O=S(=O)(CCOc1ccccc1F)NC[C@H]1CNCCO1 534671143 WULSHFVRALTNTF-LLVKDONJSA-N 318.370 0.112 0 50 DCAA CCn1nc(C)c(C(=O)NCCN2CCC[C@H](C(N)=O)C2)c1C 299802103 XHKYNZYOJZIAGY-ZDUSSCGKSA-N 321.425 0.447 0 50 DCAA O=C(N[C@@H]1CCCN(C(=O)C2CC2)C1)C(=O)c1cccnc1 299772905 BGAVNIKJEBVUBI-CYBMUJFWSA-N 301.346 0.782 0 50 DCAA Nc1cc(O)nc(CCNC(=O)COC[C@H]2CCCCO2)n1 584900741 DUOHCIVGEHGFSD-SNVBAGLBSA-N 310.354 0.009 0 50 DCAA CNC(=O)c1cc(S(=O)(=O)N[C@H]2CCN(C)C2)cs1 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COc1ccccc1OCCC(=O)N1CCO[C@H](C(=O)O)C1 583650612 QDRWOMLEUYGDLW-ZDUSSCGKSA-N 309.318 0.776 0 50 DCAA O=C(O)c1n[nH]c2c1CN(C(=O)c1n[nH]c3c1CCC3)CC2 1608994746 OQUAJJAQDRSNPB-UHFFFAOYSA-N 301.306 0.518 0 50 DCAA C[C@H]1CN(c2ccccc2F)CCN1C[C@@H](O)CC1(O)COC1 1615614945 KRZWJDVRNLSENW-KBPBESRZSA-N 324.396 0.849 0 50 DCAA Cc1nc[nH]c1C(=O)N1CCCN(C[C@H]2COCCO2)CC1 1529185130 KKMGMBFSKQCGQE-ZDUSSCGKSA-N 308.382 0.281 0 50 DCAA Nc1nc(C(=O)N2C[C@@H](O)[C@H](Cc3ccccn3)C2)cs1 1704302808 CZBYJCKBUUPSTC-BXKDBHETSA-N 304.375 0.796 0 50 DCAA COc1ncc(Br)c(N2CCC[C@H](C(N)=O)C2)n1 585092604 GLPYHMRKWBIMFI-ZETCQYMHSA-N 315.171 0.949 0 50 DCAA CCOC(=O)N1CCC(NC[C@H]2Cc3nnc(C)n3C2)CC1 1772701212 JCAQELWOFXNHOV-GFCCVEGCSA-N 307.398 0.969 0 50 DCAA Cc1nc(N2CC[C@@]3(CNC(=O)CO3)C2)c2c(C)noc2n1 1772807598 PLCREWNILQMGBQ-CQSZACIVSA-N 303.322 0.330 0 50 DCAA CCN(CC)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 583651492 NEOFRHJSCOBLMM-UHFFFAOYSA-N 312.414 0.954 0 50 DCAA CC[C@@H](C)NC(=O)c1ccc(NC(=O)NC(CO)CO)cc1 266405125 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ORGNKZGQWMYBHB-UHFFFAOYSA-N 311.349 0.985 0 50 DCAA CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 248500731 VEKMBMPOUMPJTB-QWHCGFSZSA-N 317.455 0.259 0 50 DCAA CCOCCS(=O)(=O)NCC(=O)N1C[C@@H](C)CC[C@@H]1C 136103830 CSGWVYPBSJHQMW-RYUDHWBXSA-N 306.428 0.589 0 50 DCAA CC(=O)c1ccc(C(=O)N2CCN3CCN(C)C(=O)[C@@H]3C2)s1 65469857 FPANHORREJYAAN-NSHDSACASA-N 321.402 0.549 0 50 DCAA Cc1ccc(C2(O)CCN(C(=O)CN3CCOC3=O)CC2)nc1 67679245 WNXUKWKZXHIOLF-UHFFFAOYSA-N 319.361 0.652 0 50 DCAA CN1C[C@@]2(CCN(C(=O)Cc3cn4ccsc4n3)C2)OC1=O 72165452 XVVMBUFSCXLITN-CQSZACIVSA-N 320.374 0.991 0 50 DCAA Cc1nc(C(C)C)sc1CNC(=O)C[C@@H]1NC(=O)NC1=O 215516709 PYPITIVXWZGKOK-QMMMGPOBSA-N 310.379 0.789 0 50 DCAA O=C(c1cnc2[nH]c(O)nc2c1)N1CC[C@@H](N2CCOCC2)C1 377625876 JRUWDIXATJBYQT-LLVKDONJSA-N 317.349 0.210 0 50 DCAA C[C@@H]1COCCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)C1 375850377 PKTPDIFCYWOACI-VIFPVBQESA-N 311.363 0.926 0 50 DCAA CCOC(=O)C[C@H]1CCCCN1C(=O)c1cc(=O)[nH]c(O)n1 72408358 UQAVJYDQVHCVHG-SECBINFHSA-N 309.322 0.423 0 50 DCAA C[C@H]1CCCN(C(=O)COc2ccc(CC(N)=O)cc2)[C@@H]1CN 237696987 FUFCYENRAUWWQX-SWLSCSKDSA-N 319.405 0.679 0 50 DCAA Cc1nccc(CNC(=O)c2ccn([C@H]3CCCNC3)n2)n1 262837984 SUAHTXRGEHRLHQ-ZDUSSCGKSA-N 300.366 0.836 0 50 DCAA CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC(C(=O)O)CC1 263239738 FTTLFKCPCMNGIE-JTQLQIEISA-N 320.411 0.274 0 50 DCAA CC[C@@H](C(=O)N1CCN(c2ncccn2)CC1)n1cccn1 91713378 WXPKZLJFRHDOOR-ZDUSSCGKSA-N 300.366 0.973 0 50 DCAA COc1ccc(CCNC(=O)NC[C@H](O)CN2CCCC2)cc1 426674008 HWZSCBKQHZIWTL-HNNXBMFYSA-N 321.421 0.994 0 50 DCAA Cn1cccc1C(=O)N1CCN(C2CCOCC2)C[C@@H](O)C1 97514290 GGURUDDIIDOCGD-CQSZACIVSA-N 307.394 0.323 0 50 DCAA Cc1nn(C)c(C)c1CNC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2 239302504 FJJQBBLQDBWKOM-FVCCEPFGSA-N 307.350 0.531 0 50 DCAA COC(=O)c1cn(-c2cccc(C(N)=O)c2)cc2c(=O)[nH]nc1-2 253413467 UVYMFTKGILUIJL-UHFFFAOYSA-N 312.285 0.551 0 50 DCAA Nc1n[nH]c(CCNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)n1 534652037 KBOHFQZGJKISPH-VIFPVBQESA-N 318.312 0.311 0 50 DCAA COc1ccc2[nH]c(CNC(=O)CN3CCOC3=O)nc2c1 299762968 NXBMYCOLFHVICY-UHFFFAOYSA-N 304.306 0.640 0 50 DCAA O=C1CC[C@H](C(=O)NCC2CCN(Cc3ccoc3)CC2)N1 828256450 HQZFCWOPTCFXBG-CQSZACIVSA-N 305.378 0.886 0 50 DCAA Cc1cnn([C@H](C)c2nc(CC(N)=O)nn2CC(C)(C)O)c1 822276866 WHHNCCFTOUGRLT-SNVBAGLBSA-N 306.370 0.191 0 50 DCAA Cc1ccc2c(CC(=O)N[C@]3(C(N)=O)CCOC3)c[nH]c2c1 1362614289 KNDXRGRZRXXIHM-MRXNPFEDSA-N 301.346 0.779 0 50 DCAA O=C1CCCCCN1CCC(=O)N1CCN2C(=O)OC[C@@H]2C1 952974686 MVWLTWRORPRETF-LBPRGKRZSA-N 309.366 0.442 0 50 DCAA Cc1nccc(N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)n1 274123727 ZNFVIYPFPUSZDB-UHFFFAOYSA-N 306.366 0.775 0 50 DCAA C[C@@H](C(=O)O)N(C)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 268967702 DOWCDYIFJPOCMZ-AAEUAGOBSA-N 304.346 0.967 0 50 DCAA CCO[C@@H]1C[C@H](NC(=O)C2(S(N)(=O)=O)CC2)C1(CC)CC 408522456 JLEYWQAJHQFSCJ-WDEREUQCSA-N 318.439 0.908 0 50 DCAA CN(CC(=O)N1CCC(=O)C[C@H]1c1ccccc1)S(C)(=O)=O 585086108 UJGWIWDOLHLWFP-AWEZNQCLSA-N 324.402 0.811 0 50 DCAA CC(C)[C@@H]1CCCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)N)C2)C1 643519390 FRYCYXQOSKRCAQ-MCIONIFRSA-N 311.426 0.456 0 50 DCAA C[C@H]1CCN(c2ncnc3c2NC(=O)CN3C)CC[S@]1=O 1615550703 LTZNJKYOTQJCPV-JLTPVHFHSA-N 309.395 0.212 0 50 DCAA CN(C)C(=O)NCCNS(=O)(=O)C[C@H]1CCC(C)(C)CO1 1616040900 HMMLMKBJOLDEDC-LLVKDONJSA-N 321.443 0.382 0 50 DCAA CC(=O)N1CCC[C@@H]1C(=O)N1CC2(CCOCC2)CC[C@@H]1CO 1616187396 SYHIJPPWMCPBRS-HUUCEWRRSA-N 324.421 0.777 0 50 DCAA Cc1cc(C[C@@H]2CN(C(=O)c3cn(C)nc3C)C[C@H]2O)n[nH]1 1704349546 APHDGMUXQKJPNN-BXUZGUMPSA-N 303.366 0.436 0 50 DCAA C[C@H]1OCCN(S(=O)(=O)c2sccc2Cl)[C@@H]1C(N)=O 451532685 LQPOPESRNXWSAZ-SVRRBLITSA-N 324.811 0.665 0 50 DCAA O=C(O)[C@]12CCOC[C@H]1CN(Cc1ccc(OCCO)cc1)C2 1772703117 YBATYUJUEQZYDZ-PBHICJAKSA-N 321.373 0.981 0 50 DCAA CN1CCn2nc(C(=O)N3CC[C@H](c4cc[nH]n4)C3)cc2C1=O 1857679163 GXOUBMMDLPJEQV-JTQLQIEISA-N 314.349 0.322 0 50 DCAA O=C(c1cccnc1O)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857738523 LPTLCJNPSIWNKY-ABAIWWIYSA-N 303.318 0.351 0 50 DCAA CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)O 8939773 NGFNQJSTFVSYTG-JTQLQIEISA-N 319.766 0.958 0 50 DCAA in-vitro Cc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)nc1 636062367 IHRKPLWIQHDOFQ-KBPBESRZSA-N 313.361 0.436 0 50 DCAA COC[C@]1(C(N)=O)CCCN1Cc1ccc2c(c1)OCCO2 643763205 WGIYUUUNJKBGBS-INIZCTEOSA-N 306.362 0.924 0 50 DCAA c1nn(C2CCN(CCO[C@H]3CCOC3)CC2)c2c1CNC2 923383890 NVCFKWDPJMQAKC-HNNXBMFYSA-N 306.410 0.929 0 50 DCAA Cn1[nH]c(CN[C@H](CO)c2ccccc2C(F)(F)F)nc1=O 933242602 ZBJBHWNHYFBQFQ-SNVBAGLBSA-N 316.283 0.950 0 50 DCAA CCn1cc(C(=O)NC2CCN(c3nccn3C)CC2)nn1 935613100 VHZGRYXREINDHY-UHFFFAOYSA-N 303.370 0.430 0 50 DCAA CN(C)C(=O)[C@H]1CC[C@H](C(=O)O)N(C(=O)CCn2cccn2)C1 864291659 NZUCGTPCJOBDQY-NWDGAFQWSA-N 322.365 0.053 0 50 DCAA O=C(NC1CC1)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 952877056 LESABJTXLCRTJH-NSHDSACASA-N 318.782 0.258 0 50 DCAA O=C1NC[C@H]2CN(C(=O)N=c3nc(C4CC4)[nH]s3)CC[C@@H]12 1875272605 SPEYXRQVPUJCHZ-DTWKUNHWSA-N 307.379 0.437 0 50 DCAA CO[C@@H]1CCCCN(CC(=O)NCc2cc(C)nn2C)C1=O 886078507 YXKODPXFLCIPRL-CYBMUJFWSA-N 308.382 0.372 0 50 DCAA COc1ncccc1CCNC(=O)CN1CCCC[C@H](O)C1=O 886078435 ZAVNYOZFHPXBJK-ZDUSSCGKSA-N 321.377 0.122 0 50 DCAA CN(CC1(O)CCOCC1)S(=O)(=O)C[C@@H]1CCCCO1 408438341 HKKLBCIUQYYFPI-LBPRGKRZSA-N 307.412 0.359 0 50 DCAA CCC(CC)(NC(=O)C1CN(C(=O)c2coc(C)n2)C1)C(N)=O 2325724938 OBJGNWQUXFDFBT-UHFFFAOYSA-N 322.365 0.215 0 50 DCAA Cc1cn2nc(C(=O)N3CC(c4ccn(C)n4)C3)cc2c(=O)[nH]1 2325875804 CGLJJLGPZNWOMS-UHFFFAOYSA-N 312.333 0.304 0 50 DCAA CCc1nc(O)ccc1C(=O)NC[C@@H]1Cc2nnc(C)n2C1 2356135068 OQKRLPNJSKJSAL-JTQLQIEISA-N 301.350 0.852 0 50 DCAA Cc1ccc(-n2c(CN(C)S(C)(=O)=O)n[nH]c2=O)cc1C 65408485 VVVRUZZXGWCBNK-UHFFFAOYSA-N 310.379 0.569 0 50 DCAA CN(CCN(C)C1CC1)C(=O)c1ccc(S(N)(=O)=O)s1 354043991 QJJWOGKURYXPAY-UHFFFAOYSA-N 317.436 0.562 0 50 DCAA CN1CCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 35360221 QEDZSXBXDVMQEQ-UHFFFAOYSA-N 318.420 0.026 0 50 DCAA CNCCNC[C@]1(O)CCCN(Cc2cccc(OC)c2)C1=O 67921244 JVDPPDFWOPXAQT-QGZVFWFLSA-N 321.421 0.358 0 50 DCAA Cc1cc(N2CC[C@@H](N3C[C@H](CO)OC(C)(C)C3)C2=O)n(C)n1 328616516 SOTCXJMWNTYDIP-CHWSQXEVSA-N 322.409 0.306 0 50 DCAA Cc1nonc1CC(=O)N[C@@H](Cc1ccccn1)[C@H]1C[C@H](O)C1 219891366 QDRHOIJYIOEKED-LNSITVRQSA-N 316.361 0.814 0 50 DCAA Cc1ccc2[nH]nc(C(=O)N3CCC(O)(C(=O)O)CC3)c2c1 71752785 LJYNFCFNILKOAL-UHFFFAOYSA-N 303.318 0.923 0 50 DCAA CN(CCN1CCOCC1)c1cc(C2CC(N)C2)nc(N)n1 219968677 PLFJKUWOTFVAHS-UHFFFAOYSA-N 306.414 0.032 0 50 DCAA CSc1ncc(CN2CCCN(CC(=O)N(C)C)CC2)cn1 216226808 CCWBLEQQVONDAC-UHFFFAOYSA-N 323.466 0.794 0 50 DCAA Cn1c(CNC(=O)[C@@H](N)CO)nc2cc(C(F)(F)F)ccc21 215499193 SXLDHGAWMAZWMF-QMMMGPOBSA-N 316.283 0.528 0 50 DCAA COc1cccc(C[C@H]2CN(C(=O)CNC(N)=O)CCO2)c1 71774984 VYIFLHMFWCTFNM-ZDUSSCGKSA-N 307.350 0.133 0 50 DCAA O=S1(=O)CC[C@H](CNS(=O)(=O)NCc2ccccc2)C1 71752649 AGXLNOXLFKJGAI-GFCCVEGCSA-N 318.420 0.045 0 50 DCAA CC(=O)N[C@@H]1[C@@H](NC(=O)c2sc(C)nc2C)[C@H]2CCO[C@H]21 220617110 XPTUWSGATLSYHC-WRWGMCAJSA-N 309.391 0.782 0 50 DCAA Cc1cnc(CNC(=O)Cn2nccc2[C@@H]2CCCNC2)cn1 426533639 AMNNJQOIZRZINS-CYBMUJFWSA-N 314.393 0.765 0 50 DCAA Cc1ccnc(-n2cc(S(=O)(=O)NC(=O)C3CC3)cn2)c1 132986539 JPTZGEHOGSRJJE-UHFFFAOYSA-N 306.347 0.791 0 50 DCAA C[C@H]1CO[C@@H](CO)CN1C(=O)c1ccc2c(N)ncnc2c1 612508026 QQUACXFDWUSMBC-GXSJLCMTSA-N 302.334 0.434 0 50 DCAA COCCN1CCN(c2cc(C3CC(O)C3)nc(N)n2)CC1 220737102 RKUOMYDRDMIHJB-UHFFFAOYSA-N 307.398 0.066 0 50 DCAA Cc1nc([C@@H]2CCN(C(=O)[C@H]3CCCc4nn[nH]c43)C2)n[nH]1 616295662 DVWZOLPDIFDDSQ-ZJUUUORDSA-N 301.354 0.667 0 50 DCAA COCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1cnc(C)cn1)C2 91746498 IBTOVBPYHVBKJK-QWHCGFSZSA-N 318.377 0.494 0 50 DCAA Cc1cn(CCNC(=O)[C@H]2CC(=O)Nc3ccc(F)cc32)nn1 91595483 FRISRXXAPJKIAA-LBPRGKRZSA-N 317.324 0.968 0 50 DCAA O=C(CN1C[C@H](Cc2ccccc2)CC1=O)N1CCOCC1 95530601 WURMKVUVJSDAPC-OAHLLOKOSA-N 302.374 0.936 0 50 DCAA COc1ccc2c(c1)OC[C@H](CNC(=O)CCNC(C)=O)C2 91793781 QDJQLISUHBCHIY-LBPRGKRZSA-N 306.362 0.889 0 50 DCAA Cn1nc(C(=O)N2CCN(C3CCSCC3)CC2)ccc1=O 97155591 ZWCDMZHNEGATHF-UHFFFAOYSA-N 322.434 0.434 0 50 DCAA CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2cnc(C)nc2)C1 244872868 WFTFINFJUPWVRX-UMSPYCQHSA-N 316.365 0.565 0 50 DCAA O=C(CN1CCCC1)N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O 252500669 SZZMJCUAEMJCAR-HZPDHXFCSA-N 318.421 0.229 0 50 DCAA Cc1cnn([C@@H](C)CNC(=O)CN2C(=O)NC(=O)C2(C)C)c1 534637770 FDEPEBGSMCLKNW-JTQLQIEISA-N 307.354 0.199 0 50 DCAA O=S(=O)(CC1CCCC1)NCCCN1CCC[C@@H](O)C1 828627379 JBXYYFYFGUDEFY-CQSZACIVSA-N 304.456 0.943 0 50 DCAA OC[C@@H]1CCN(Cc2cnc(-c3ccccn3)nc2)C[C@@H]1O 1565527942 AZLOTIQJWNKLSU-ZFWWWQNUSA-N 300.362 0.714 0 50 DCAA O=C(O)[C@@H]1COCCN1C(=O)CCc1nc(-c2ccco2)no1 269001383 YOMRAIJIOMMHAG-VIFPVBQESA-N 321.289 0.574 0 50 DCAA COC(=O)CCCC(=O)Nc1ccc(OC)c(-n2cnnn2)c1 275030345 PEUPPSATVLOLLM-UHFFFAOYSA-N 319.321 0.953 0 50 DCAA C[C@H]1CN(C[C@@H]2CCCN2C(=O)[C@H]2CNCCO2)C[C@@H](C)O1 188128303 JJEQNEGSXYMHMX-LJISPDSOSA-N 311.426 0.075 0 50 DCAA O=C(Cn1cc(C2CCNCC2)nn1)N1CCOC[C@H]1C1CC1 641156213 OFYYKUUHFSOWAD-HNNXBMFYSA-N 319.409 0.383 0 50 DCAA N[C@]12CCC[C@H]1CN(C(=O)c1coc3c1C(=O)NCCC3)C2 1615554484 SNHYWEPALNGSRB-QFYYESIMSA-N 303.362 0.909 0 50 DCAA COc1ccc(S(=O)(=O)N(C)C[C@H](O)CO)cc1Cl 1260969355 PUUORFTXFAWJMQ-QMMMGPOBSA-N 309.771 0.322 0 50 DCAA CN(C)S(=O)(=O)C[C@@H]1CN(Cc2ccsc2)C[C@@H]1O 1529144207 SLUVXOACYMNRSW-RYUDHWBXSA-N 304.437 0.432 0 50 DCAA Cn1cc(S(=O)(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)cn1 1704339058 NFPFKTVGNCKSHG-TZMCWYRMSA-N 322.390 0.351 0 50 DCAA CN(C)S(=O)(=O)c1ccc(NCCCC(=O)O)c(N)c1 5319150 JVVJFZHMFOPCPY-UHFFFAOYSA-N 301.368 0.796 0 50 DCAA CN(C)S(=O)(=O)CC(=O)N1CCCC[C@H]1c1ccnn1C 407959275 UFOYFANHLVAUGR-LBPRGKRZSA-N 314.411 0.365 0 50 DCAA CCCOCC(=O)N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 225417283 RHCSPOZKOJTYTH-GFCCVEGCSA-N 308.382 0.833 0 50 DCAA O[C@@H]1C[C@H](c2cccc(F)c2)N(c2ccc3nnnn3n2)C1 253396626 PSVUCDIDDVVYBD-VXGBXAGGSA-N 300.297 0.971 0 50 DCAA O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1C[C@H](O)CN1 151941380 NAUWMKJCUWTLAX-GJZGRUSLSA-N 304.390 0.574 0 50 DCAA Cc1ccc(N2CCN(C(=O)[C@H]3CCC(=O)N3C)CC2=O)o1 367948696 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DCAA CN(C)c1cnn(CCS(=O)(=O)c2ccccc2)c(=O)c1 95374118 JTTWWJYEIIWCMK-UHFFFAOYSA-N 307.375 0.783 0 50 DCAA C[C@@H](C(=O)N1CC[C@H](C(=O)O)C1)n1nnc(-c2ccccc2)n1 237458356 QMJLBAXVZNDAOS-JQWIXIFHSA-N 315.333 0.834 0 50 DCAA Cn1cnc2cc(NC(=O)NCCN3CCNC3=O)ccc21 96151362 VYACWSQDBAMTTI-UHFFFAOYSA-N 302.338 0.720 0 50 DCAA CCCn1ncnc1[C@@H](C)NC(=O)C(C)(C)N1CCOCC1 534666270 YBCATKLPWWTOOM-GFCCVEGCSA-N 309.414 0.976 0 50 DCAA Cc1noc([C@H]2CCCCN2C(=O)NCCn2cncn2)n1 287835712 WJEMBJYNUVKJCM-LLVKDONJSA-N 305.342 0.906 0 50 DCAA CO[C@@]12CC[C@H](O)C[C@@H]1N(Cc1cn(CCO)nc1C)CC2 299765629 OYKWWRSNMHQHPA-HRCADAONSA-N 309.410 0.688 0 50 DCAA NC(=O)CCC1CCN(CC[C@@H]2CCS(=O)(=O)C2)CC1 826835072 NWDRVFSHKPGJRA-CYBMUJFWSA-N 302.440 0.789 0 50 DCAA O=S(=O)(NCCCN1CCCC[C@H]1CO)N1CCCC1 828711008 XWRDMBJZZLSOPV-ZDUSSCGKSA-N 305.444 0.154 0 50 DCAA CN(Cc1noc(C2CCC2)n1)C(=O)CSc1nnnn1C 584903645 HZUIAIMWNGHWKR-UHFFFAOYSA-N 323.382 0.611 0 50 DCAA Cc1nc[nH]c1C(=O)N[C@H]1CCN(Cc2cscn2)C[C@@H]1O 1090855630 NUUHXKFPMPCVPH-RYUDHWBXSA-N 321.406 0.540 0 50 DCAA Cn1ccnc1CN(CCO)C(=O)CSc1ccncc1 952962431 BQEGMUVTHOZLPC-UHFFFAOYSA-N 306.391 0.928 0 50 DCAA CCc1cccnc1C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 408050057 CCOSETVICWLBKE-UHFFFAOYSA-N 316.361 0.800 0 50 DCAA O=C(Nc1cc(CNC(=O)[C@H]2CCCO2)ccn1)[C@@H]1CCCO1 273413336 WNDZRLYCKZBQLA-OLZOCXBDSA-N 319.361 0.994 0 50 DCAA CCN1CCC[C@H](NC(=O)N2CCN(c3cccnn3)CC2)C1 171164359 XUSPAQCADCUQCS-AWEZNQCLSA-N 318.425 0.793 0 50 DCAA CN1CCO[C@@H](CN(CC2CC2)C(=O)NCCn2ccnc2)C1 276107093 WVEBDTWWTVENMD-OAHLLOKOSA-N 321.425 0.635 0 50 DCAA Cc1cc(CC(=O)N(CC2CC2)C[C@@H]2CN(C)CCO2)n[nH]1 276660178 YRJKYQHZXRVZII-HNNXBMFYSA-N 306.410 0.830 0 50 DCAA C[C@H]1CN(CCN(C)Cc2cc(C(=O)O)nn2C)C[C@@H](C)O1 635314380 WARWICBEBRVBFD-TXEJJXNPSA-N 310.398 0.659 0 50 DCAA CCc1ccnc(C(=O)N2CCC[C@@](O)(CC(=O)NC)C2)c1 644038200 FBVXYHYFAAXFLQ-MRXNPFEDSA-N 305.378 0.747 0 50 DCAA COCCOc1cccc(C(=O)NCCCn2cnnc2O)c1 585130621 WVADYWCINRWTDS-UHFFFAOYSA-N 320.349 0.829 0 50 DCAA Cc1ccc(C(C)C)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 5765311 GKQGIQVSMCHAFX-IBEHDNSVSA-N 312.362 0.297 0 50 DCAA biogenic,in-vitro CN(C)S(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1 13679494 FYFNBCHKHBPDFG-UHFFFAOYSA-N 303.428 0.517 0 50 DCAA NC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCCC2 19798079 HOQNWHCZVSDJCF-UHFFFAOYSA-N 323.418 0.997 0 50 DCAA CC[C@]12COC(=O)N1CCN(C(=O)c1ccc3ncnn3c1)C2 1857679285 SAJYQAQSQBPVRR-HNNXBMFYSA-N 315.333 0.786 0 50 DCAA CCC[C@@]1(CO)CN(C(=O)c2nnc3n2CCCC3)CC[C@@H]1O 1857725065 VAPODVHVRFJZEM-LRDDRELGSA-N 322.409 0.600 0 50 DCAA CC(C)N1CCC[C@H](N2CCC[C@H](n3cc(CO)nn3)C2)C1=O 328790700 QLUVLLCBGNBMBK-GJZGRUSLSA-N 321.425 0.807 0 50 DCAA Cc1ncc2c(n1)CCC[C@H]2NC(=O)CN1CCN(C)CC1 734878099 QVUHGBCPNBUWCB-OAHLLOKOSA-N 303.410 0.526 0 50 DCAA Cc1cccc(C[C@H](CNC(=O)[C@H]2CC(=O)N(C)C2)C(=O)O)c1 237148137 QMKLDSWKHNKLSU-KGLIPLIRSA-N 318.373 0.833 0 50 DCAA Oc1ncnc2c(N3CCN([C@@H]4CCC[C@H]4O)CC3)nccc12 656118296 MBKUTLYCUMANDD-CHWSQXEVSA-N 315.377 0.766 0 50 DCAA COc1ccc(OC)c(NC(=O)CN2CCN(C)C(=O)C2)c1 265912058 YAUYCJMLDPRDNZ-UHFFFAOYSA-N 307.350 0.416 0 50 DCAA O=C(O)CN1CCCC[C@@H](NC(=O)C2CC(F)(F)C2)C1=O 902430793 ASBDOBDDXSEEEA-SECBINFHSA-N 304.293 0.614 0 50 DCAA CC(C)Oc1ccc(F)cc1S(=O)(=O)N=c1nc[nH]n1C 903613473 MRDUZLGRUSZQEP-UHFFFAOYSA-N 314.342 0.964 0 50 DCAA Cc1ccoc1CN(C)C(=O)c1cn([C@@H]2COC[C@H]2O)nn1 908358265 UTZNONJDROGHSE-VXGBXAGGSA-N 306.322 0.384 0 50 DCAA CN1C[C@@H]2CC[C@H](C1)N2C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 864091421 UVHPWIQBQITKGX-IJEWVQPXSA-N 324.446 0.902 0 50 DCAA Cc1nc(C(=O)NCCn2cc(-c3ccccc3)nn2)n(C)n1 1875282913 XYJJEFZGDWGRAD-UHFFFAOYSA-N 311.349 0.812 0 50 DCAA O=C1CC(C(=O)N2CCC(C(=O)NCc3ccco3)CC2)=NN1 1875257648 KBTYSYZALXNDJS-UHFFFAOYSA-N 318.333 0.010 0 50 DCAA NCc1ccc2nc(C(=O)N3CC[C@H](O)C34CCC4)cn2c1 1875304687 QZTRSORHQKLWCY-ZDUSSCGKSA-N 300.362 0.923 0 50 DCAA N[C@@H](Cn1cncn1)C(=O)Nc1cccc([C@H]2CCC(=O)N2)c1 1875337194 QABSJXRKLNYICH-QWHCGFSZSA-N 314.349 0.195 0 50 DCAA O=C(CN1CCC(CO)CC1)N[C@@H](C(=O)O)[C@@H]1CC=CCC1 2325788565 OXFJYGMOSVETIB-UKRRQHHQSA-N 310.394 0.616 0 50 DCAA O=C1[C@H]2CC[C@@H]1C[C@@H](C(=O)N1CC[C@@H](c3nc(=O)o[nH]3)C1)C2 2325810258 FNQZMECKHCPGKA-LMLFDSFASA-N 305.334 0.684 0 50 DCAA CCN(CC(=O)NC)S(=O)(=O)c1cn(C)nc1C(C)(C)C 866488747 ZEWXSPJOGQJFHR-UHFFFAOYSA-N 316.427 0.474 0 50 DCAA CCC[C@@]1(C(=O)O)CN(C(=O)c2ccnn2CC)CC[C@H]1O 2356142059 BQAFHTYQJHEKEJ-IUODEOHRSA-N 309.366 0.981 0 50 DCAA O=C(O)CCc1cn(C2CCN(c3ncccn3)CC2)nn1 20905665 NGDSKQQXEXCUPX-UHFFFAOYSA-N 302.338 0.927 0 50 DCAA CNC(=O)c1ccc(S(=O)(=O)N(C)C[C@@H]2CCOC2)cc1 175059505 UFWQDRSQMDCKJW-NSHDSACASA-N 312.391 0.703 0 50 DCAA Cc1nnc(SCCCNC(=O)CS(C)(=O)=O)s1 63844519 MNNDSXNRROJCRV-UHFFFAOYSA-N 309.438 0.490 0 50 DCAA CC(=O)N(C)c1ccc(OC[C@@H](O)CN2CCN(C)CC2)cc1 20419536 WAAPKJFOCWCZCC-INIZCTEOSA-N 321.421 0.656 0 50 DCAA CCN1CCN(C(=O)CN2CCCC2=O)C[C@H]1c1nccn1C 328616092 BJBSZBIKTRECKT-ZDUSSCGKSA-N 319.409 0.248 0 50 DCAA CC(C)(NC(=O)CNC(=O)c1ccc(F)cc1)c1nn[nH]n1 359875660 ITLYWHJDHULSOD-UHFFFAOYSA-N 306.301 0.120 0 50 DCAA COc1ccc(CC(=O)N2CCC[C@H](N3CCNC3=O)C2)nc1 363927577 MHCPMFVBJGYDBL-ZDUSSCGKSA-N 318.377 0.649 0 50 DCAA C[C@H]1CNCCN1C(=O)[C@H]1CN(Cc2ccccc2)CCO1 126118839 OVJXTSDOCDBLOL-GOEBONIOSA-N 303.406 0.708 0 50 DCAA O=C(O)[C@@H]1CCCN(C(=O)c2cccc(-n3cnnn3)c2)C1 261645828 FCBAQCJKXFCCHR-LLVKDONJSA-N 301.306 0.599 0 50 DCAA NC(=O)COc1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)cc1 261646502 JHCXUQWVMRDBNI-GFCCVEGCSA-N 306.318 0.630 0 50 DCAA Cc1nn(C)c2ncnc(N3CCC(O)(CN(C)C)CC3)c12 72424066 XAQDQCHUOJNJGZ-UHFFFAOYSA-N 304.398 0.565 0 50 DCAA O=C(O)C[C@H]1CN(C(=O)c2cccc(-n3cncn3)c2)CCO1 262409876 CWCSWWWPVCWXBU-ZDUSSCGKSA-N 316.317 0.583 0 50 DCAA CC(=O)N1CCC[C@](O)(C(=O)NCCOc2ccccc2C)C1 286045723 FDMRRCNWRSKKTL-QGZVFWFLSA-N 320.389 0.863 0 50 DCAA Cc1ccnc(SCC(=O)NC[C@@H]2COCCN(C)C2)n1 223901243 KVHXHXCVNPVRCT-LBPRGKRZSA-N 310.423 0.572 0 50 DCAA CCO[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C(=O)O)C2)[C@H]1n1cccn1 263363395 KYXPBOJRWOHOSQ-YVECIDJPSA-N 322.365 0.718 0 50 DCAA Cc1cc(C)nc(CCNC(=O)[C@H](C)N2CCN(C)CC2)n1 426647395 WEPGJMBMZIZFPI-AWEZNQCLSA-N 305.426 0.388 0 50 DCAA O=C(O)[C@@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2)C1 263958779 JDPUBRCXVVGNGG-LLVKDONJSA-N 301.306 0.599 0 50 DCAA O=C(CN1C(=O)CNC1=O)NC[C@H]1CCc2ccccc2O1 91892656 VRCNFQBCHAYNSP-LLVKDONJSA-N 303.318 0.048 0 50 DCAA CN(C)Cc1cccc(C(=O)N2CCNC[C@@H](C(=O)O)C2)c1 97527314 GPOYWODAURMTFX-CQSZACIVSA-N 305.378 0.494 0 50 DCAA COc1ccccc1CCC(=O)N1CCN(C(C)=O)C[C@H](O)C1 92062190 SHZWJYDYLWTGHN-HNNXBMFYSA-N 320.389 0.679 0 50 DCAA COCC[C@]1(CO)CCCN(C(=O)CCc2cc(O)no2)C1 91382066 WGRKZPHVHVTIIJ-OAHLLOKOSA-N 312.366 0.950 0 50 DCAA Cc1cc(C)nc(S[C@@H](C)C(=O)NCCN2CCNC2=O)n1 299762651 ORPWOVPKNOERIK-NSHDSACASA-N 323.422 0.715 0 50 DCAA CS(=O)(=O)CCC(=O)NCc1nc(-c2ccccc2)n[nH]1 726798576 DNBDYQKJQYEGAY-UHFFFAOYSA-N 308.363 0.523 0 50 DCAA CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)CCn1cnnn1 583652715 SCMKJFYOBCIIAO-KBPBESRZSA-N 306.414 0.786 0 50 DCAA biogenic COCCn1cnnc1[C@H](C)n1cnc2ccncc2c1=O 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CC(C)[C@H](C(=O)NC[C@@H]1CCCS1(=O)=O)N1CCCC1=O 153338561 FRWFPROHBQSUJI-WCQYABFASA-N 316.423 0.327 0 50 DCAA CC[C@@H](C)NC(=O)CN1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 266211009 QDACYBDVXKSDFI-GHMZBOCLSA-N 307.398 0.603 0 50 DCAA C[C@@]1(C(=O)O)CCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)C1 1261481390 XSVXUBSJYUABLY-JBLLZRQOSA-N 323.349 0.078 0 50 DCAA O=C1NC(=O)C2(CN(C(=O)NC3(Cc4ccccc4)CC3)C2)N1 1122001660 RWWHGOUBPVUIIA-UHFFFAOYSA-N 314.345 0.365 0 50 DCAA Nc1nc(N)nc(N2CCCN(c3ncccc3F)CC2)n1 858507372 ISUSTLQDGOTCML-UHFFFAOYSA-N 304.333 0.287 0 50 DCAA COCc1cc(O)nc(N2CC[C@@H](NC(=O)OCCF)C2)n1 952880562 OSOTYGVWUNIWBK-SECBINFHSA-N 314.317 0.603 0 50 DCAA CC(C)n1cc(C[C@@H]2NC(=O)N(CCc3cocn3)C2=O)nn1 1875360678 FSBMEFSTPATMDP-LBPRGKRZSA-N 318.337 0.553 0 50 DCAA O=C(C[C@@H]1CNC[C@H]1O)NCCc1nccn1-c1ccccc1 1875400464 AQDWBJBWRVXZKL-UKRRQHHQSA-N 314.389 0.501 0 50 DCAA CC(=O)NCC1CCN(CCCS(=O)(=O)N(C)C)CC1 330541064 VZDIUGXAAZUNJG-UHFFFAOYSA-N 305.444 0.116 0 50 DCAA CCC(=O)Nc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 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318.381 0.238 0 50 DCAA CN(C)c1ncc(NC(=O)[C@@H]2CCO[C@H]2c2nccn2C)cn1 408473586 BJTZGUXMCKOWCT-VXGBXAGGSA-N 316.365 0.992 0 50 DCAA C[C@@H](Cn1cccn1)NC(=O)[C@@H](Cc1ccccc1)NC(N)=O 170619445 IQXZVTBEMKICTR-GXTWGEPZSA-N 315.377 0.667 0 50 DCAA CCc1nn(C)c(OC)c1CNC(=O)N1CC(=O)N(C2CC2)C1 279482513 HARDUSSLPGJWQA-UHFFFAOYSA-N 321.381 0.465 0 50 DCAA NC(=O)C[C@]1(O)CCCN(C(=O)Cc2ccc3c(c2)CCO3)C1 643995441 HTGPNCQWSYWUCP-QGZVFWFLSA-N 318.373 0.393 0 50 DCAA Cc1cccc(C(=O)N2[C@H](C(=O)N(C)C)C[C@@H]3OCC[C@@H]32)n1 1615588631 DMRKGOSABCITBH-IHRRRGAJSA-N 303.362 0.850 0 50 DCAA CN(C)c1ncc(Br)c2c1CN(C(=O)CO)CC2 1615613473 AKOVIMHPVMWLPK-UHFFFAOYSA-N 314.183 0.787 0 50 DCAA CO[C@@H](C)c1nnc(NC(=O)CN2CCCN(C)CC2)s1 1506405617 KNKOROCIMHVPIJ-JTQLQIEISA-N 313.427 0.822 0 50 DCAA COCCN1CC[C@H](CNc2nc(N)c3cnn(C)c3n2)C1 1529133766 GOAKOVKEFXCBHD-SNVBAGLBSA-N 305.386 0.326 0 50 DCAA Cc1cc(C[C@@H]2CN(CC(C)(C)N3CCOCC3)C[C@@H]2O)n[nH]1 1529166862 BDPFCCYNILLMBT-ZBFHGGJFSA-N 322.453 0.664 0 50 DCAA 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50 DCAA CN(C)c1cc2c(nn1)CCN(S(=O)(=O)[C@H]1CCOC1)C2 1775959382 XNTGAXDHLGUSFX-NSHDSACASA-N 312.395 0.019 0 50 DCAA CN1CCN(Cc2cn([C@H]3Cc4ccccc4[C@@H]3O)nn2)CC1 1775957774 MRIJGCINICFSDI-IRXDYDNUSA-N 313.405 0.856 0 50 DCAA CCOC(=O)C1=NN[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 100057859 YMHQMPQRXPUJBL-NXEZZACHSA-N 321.720 0.720 0 50 DCAA O=C(Cc1cn2ccsc2n1)NC[C@H](O)c1cccc(O)n1 2356147415 VFEJOFTXOTXHSC-NSHDSACASA-N 318.358 0.889 0 50 DCAA COC[C@@]12COC[C@@H]1CN(S(=O)(=O)c1cnn(C)c1C)C2 2356162993 OOYKBYNZGXEQBU-AAEUAGOBSA-N 315.395 0.012 0 50 DCAA NC(=O)CN1CCC[C@@H](C(=O)N2CCc3ccccc3CC2)C1 2356167269 VYWLXXANSZXQTN-MRXNPFEDSA-N 315.417 0.811 0 50 DCAA CN[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1 134174796 NWNFSAJMNLHONO-ZJUUUORDSA-N 307.316 0.608 0 50 DCAA CCCN1C[C@H](NC(=O)CCC(=O)NC2CCCC2)CC1=O 55281818 HOYFBWUCKIXNMR-CYBMUJFWSA-N 309.410 0.953 0 50 DCAA CC(=O)c1ccc(C(=O)N2CCn3c(C(N)=O)cnc3C2)s1 65421440 WLUWADMMKGQGRK-UHFFFAOYSA-N 318.358 0.902 0 50 DCAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccc(N)nc1 67851708 FBWQSWILLMHYJU-NEPJUHHUSA-N 305.382 0.074 0 50 DCAA COCCn1ccc(C(=O)N[C@H]2CN(c3ccccc3)C2=O)n1 253430935 YOAIGERFALWQBJ-AWEZNQCLSA-N 314.345 0.675 0 50 DCAA O=C(c1cc2ccccc2c(O)n1)N1CCN2C(O)=NC[C@H]2C1 330274846 KSPZTQUEFNMEQV-NSHDSACASA-N 312.329 0.994 0 50 DCAA C[C@@H]1CN(C(=O)[C@@H]2CS[C@]3(C)CSCC(=O)N23)CCO1 252474560 HNXNBDBLAQGOBB-GBIKHYSHSA-N 316.448 0.641 0 50 DCAA CC(C)[C@H](NCc1cn(C(C)C)nn1)C(=O)N1CCOCC1 328593447 RBGGVMIXFCSEQM-AWEZNQCLSA-N 309.414 0.832 0 50 DCAA O=C(c1cc(F)cc2nccnc12)N1CCS(=O)(=O)CC1 332210493 IPSHCTIUTXXXCM-UHFFFAOYSA-N 309.322 0.640 0 50 DCAA CO[C@H]1CN(C(=O)c2cc(C(C)C)n3ncnc3n2)CC[C@H]1N 71760284 XRPCIEQROPNOCA-MFKMUULPSA-N 318.381 0.436 0 50 DCAA O=C(Cc1noc2ccccc12)N1CCO[C@@H](c2nn[nH]n2)C1 364529766 TWVIFTOVEGIMNA-GFCCVEGCSA-N 314.305 0.484 0 50 DCAA O=C(c1cnn(CCN2CCCCC2)c1)N1CCC[C@H](O)C1 369781203 BQVZPHVWCLOYKL-HNNXBMFYSA-N 306.410 0.966 0 50 DCAA CCN1CCOC[C@H]1C(=O)Nc1n[nH]c2cc(OC)ccc12 373179945 MQQBFGVQVNRCCS-ZDUSSCGKSA-N 304.350 1.231 0 50 DCAA Cc1cnn(C2(C(=O)O)CCN(C(=O)c3cncn3C)CC2)c1 72407812 BKRMNORPLONYMV-UHFFFAOYSA-N 317.349 0.641 0 50 DCAA CO[C@@H]1C[C@@H](CO)N(C(=O)c2cccc(-c3ncn[nH]3)c2)C1 284882531 RBDPPAYICDEWCP-QWHCGFSZSA-N 302.334 0.694 0 50 DCAA O=C(COc1cccc[n+]1[O-])NC[C@@H]1Cc2ccccc2O1 131062069 HQEFZJHWJNRJDF-ZDUSSCGKSA-N 300.314 0.819 0 50 DCAA COCCN1C[C@H](Cc2cc(N3CCCC3)nc(N)n2)CC1=O 222370394 HRXBKVAWLAUMAJ-GFCCVEGCSA-N 319.409 0.696 0 50 DCAA Cn1cccc1[C@@H]1CCCN1C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1 177613110 SXGXWYLDUNNEPT-FPMFFAJLSA-N 320.393 0.905 0 50 DCAA Cc1nc(CC2CCN(C(=O)CN3CCCC3=O)CC2)no1 223879300 KZOBZQIVUVRNFL-UHFFFAOYSA-N 306.366 0.782 0 50 DCAA CN(C)CC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)O)cc1 223695773 BORWEJWHXPBNSP-ZIAGYGMSSA-N 322.361 0.599 0 50 DCAA Cc1cc(C)n(CCN(C)C(=O)[C@H]2CC(=O)N(C3CC3)C2)n1 91966133 NPBMBLANXMNGLE-ZDUSSCGKSA-N 304.394 0.969 0 50 DCAA CN1CCC(N2CCC[C@H](C(=O)NCCc3ncc[nH]3)C2)CC1 426488001 MMDHDSRMJHNLNH-AWEZNQCLSA-N 319.453 0.875 0 50 DCAA O=C(NCCS(=O)(=O)N1CCCC1)c1cn2ccccc2n1 97436943 BFAPMOHSIVMISS-UHFFFAOYSA-N 322.390 0.490 0 50 DCAA CN1CCN(Cc2ccc(S(C)(=O)=O)cc2)C[C@H]1C(=O)O 244795298 RDMYADNHRNRMIC-ZDUSSCGKSA-N 312.391 0.291 0 50 DCAA CNC(=O)[C@H]1CN(C(=O)COc2ccc3c(c2)CCC3)CCO1 183536913 MOLCPIONLZKSBS-OAHLLOKOSA-N 318.373 0.528 0 50 DCAA CC(=O)N(Cc1noc(C)n1)[C@@H]1CCN([C@H]2C[C@H](C)OC2=O)C1 299754210 SMHVSYLVBRZBOH-BIMULSAOSA-N 322.365 0.505 0 50 DCAA CC(=O)N1CCCN([C@@H]2CN([C@@H]3C[C@H](C)OC3=O)C[C@H]2C)CC1 299754158 IOTZDPAQXYFIAN-OCVGTWLNSA-N 323.437 0.565 0 50 DCAA O=C1CC[C@@H](C(=O)NCCc2cn3ccsc3n2)NC(=O)N1 299772424 XEATUXNBCADHRC-VIFPVBQESA-N 321.362 0.043 0 50 DCAA CCCC[C@H]1C(=O)N(C)CCN1S(=O)(=O)c1cnn(C)c1 822831066 HMHKVBGALFSJCT-LBPRGKRZSA-N 314.411 0.442 0 50 DCAA CN(CCCCN1CCOCC1)S(=O)(=O)c1cn[nH]c1 823725414 INRNTDKEEHTUGL-UHFFFAOYSA-N 302.400 0.143 0 50 DCAA Cc1cc(C)n(CC(=O)N[C@H](C)c2nnc(N)s2)c(=O)n1 670439389 BLHLUUJNOPOBFE-MRVPVSSYSA-N 308.367 0.171 0 50 DCAA Cc1c(O)nc(CCN(C)C(=O)c2cnc3n2CCC3)nc1O 1412691197 IGTLAWNWLLXPDY-UHFFFAOYSA-N 317.349 0.654 0 50 DCAA CC(=O)N1CC[C@H](NC(=O)c2c(F)ccc(C)c2F)[C@@H](O)C1 991745166 BKAMFHMNSYGEJX-RYUDHWBXSA-N 312.316 0.985 0 50 DCAA CC1=C(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)OCCO1 952987172 KERZIVGIECXOCH-ZDUSSCGKSA-N 321.377 0.970 0 50 DCAA Cc1noc(C)c1S(=O)(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21 408027838 MVEVMYUTIFUNSB-NWDGAFQWSA-N 315.395 0.385 0 50 DCAA O=C1N[C@H](C(F)(F)F)CC[C@@H]1C(=O)N1CCc2n[nH]cc2C1 408022815 VNOZLNUIBIYPOF-WPRPVWTQSA-N 316.283 0.752 0 50 DCAA CC(C)n1cnnc1CN(C)C(=O)[C@@H]1CN2CCCN1CC2 647054324 JBPGDFFGWKKEOM-ZDUSSCGKSA-N 306.414 0.207 0 50 DCAA CN(Cc1cn(C)nn1)C(=O)c1cccc(OCC(=O)O)c1 656854705 KRPWYFUPRHUZJQ-UHFFFAOYSA-N 304.306 0.551 0 50 DCAA O=C([C@H]1COC[C@H]1c1ccccc1)N1CCC(O)(C(=O)O)CC1 659136320 WGINZOLZWPFXBW-KBPBESRZSA-N 319.357 0.855 0 50 DCAA Cc1cc(C)cc(CS(=O)(=O)N[C@@H](C(=O)O)[C@H](C)O)c1 575320915 NEYPVDHNDGUCNR-CMPLNLGQSA-N 301.364 0.557 0 50 DCAA O[C@]1(Cn2ccnn2)CCN(Cc2noc3c2CCCC3)C1 671554342 VYVDWHUADHGINR-OAHLLOKOSA-N 303.366 0.782 0 50 DCAA NC(=O)c1cccnc1N1CCC(C(=O)N2CCOCC2)CC1 1506425494 OSZFCAOIHZBOKD-UHFFFAOYSA-N 318.377 0.256 0 50 DCAA Cc1nc2ccc(CC(=O)N[C@H]3CCO[C@H](CO)[C@H]3O)cc2[nH]1 1857710678 JWBIQTAOCOSBJS-BJJXKVORSA-N 319.361 0.041 0 50 DCAA N[C@@H]1C[C@H](C(=O)NCc2cc(-c3ccccc3)n[nH]2)C[C@H]1O 1857719243 HKMIJIHQADZEOX-NJZAAPMLSA-N 300.362 0.791 0 50 DCAA CNC(=O)CN1CCC(NC(=O)Nc2ccnc(C)c2)CC1 119284976 YCQLNPIBPJOMSY-UHFFFAOYSA-N 305.382 0.722 0 50 DCAA C[C@]1(CO)C[C@@H](O)CN1C[C@H](O)COc1ccccc1Cl 639853313 FYTUFCZIUTUCPA-TYNCELHUSA-N 315.797 0.897 0 50 DCAA CN(C)C(=O)C[C@]1(O)CCCN(Cc2c(Cl)cnn2C)C1 643753473 HDEJDSRREZSTSW-CQSZACIVSA-N 314.817 0.879 0 50 DCAA CCc1ncc(NC(=O)[C@@H]2Cn3c(C)nnc3CN2C)cn1 644399070 SZCCZRDDKJCIEB-NSHDSACASA-N 301.354 0.392 0 50 DCAA CC(C)Cn1cc(NC(=O)N2CCN(C(=O)[C@@H](C)O)CC2)cn1 162766863 ULKISVOFHWWIEP-GFCCVEGCSA-N 323.397 0.596 0 50 DCAA CCC[C@]1(C(=O)O)CCN(C(=O)c2cccn(C)c2=O)C[C@@H]1O 1704326229 YQHJHUHRIMKVBD-LRDDRELGSA-N 322.361 0.463 0 50 DCAA O=C(NCCN1CCNC1=O)N[C@@H]1CCCc2cccnc21 924046496 JWUGYJIFDDXPTL-GFCCVEGCSA-N 303.366 0.783 0 50 DCAA Cc1nc(CCNC(=O)[C@H]2CC(=O)N(C3CN(C)C3)C2)c(C)o1 952887715 HYVUZNGCORRRSE-LBPRGKRZSA-N 320.393 0.113 0 50 DCAA COc1ccc(S(=O)(=O)N2CCO[C@@H](CN)C2)cc1Cl 165655565 CISDASHUSGIHNQ-VIFPVBQESA-N 320.798 0.697 0 50 DCAA CN1CC(=O)Nc2c(NC[C@H](C(F)F)n3cccn3)ncnc21 2325790883 SEGSSHUOWKWIDJ-MRVPVSSYSA-N 323.307 0.980 0 50 DCAA CCOC(=O)c1cnc(SCC(=O)N2CCCC2)nc1N 419235 IRDCJISOIKKDHH-UHFFFAOYSA-N 310.379 0.950 0 50 DCAA COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccc(C)cc1 506138 MKAAMOHCOOXCJX-UHFFFAOYSA-N 310.335 0.086 0 50 DCAA Cn1cnc2c(C(=O)NC[C@H](O)c3cccc(O)n3)ccnc21 2356136564 ZMCBRAHSIFYEEP-NSHDSACASA-N 313.317 0.532 0 50 DCAA C[C@@H](CNC(=O)c1cncc(O)c1)NC(=O)c1cncc(O)c1 2099978 LMMZHPWDSHTAMF-VIFPVBQESA-N 316.317 0.436 0 50 DCAA biogenic O=C(Cc1nnc(O)c2ccccc12)N1CC[C@H](n2cncn2)C1 1338389892 LULQTNHTKAAGQU-NSHDSACASA-N 324.344 0.943 0 50 DCAA CO[C@H]1C[C@@H](C(=O)N2CCSC3(CCOCC3)C2)N(C)C1 346358256 HHGWOOOULVAHJN-STQMWFEESA-N 314.451 0.830 0 50 DCAA Cc1cc(C)n([C@H](C)CNC(=O)c2cc3n(n2)CCNC3)n1 65386382 PWZUAVILFIASJK-GFCCVEGCSA-N 302.382 0.791 0 50 DCAA O=C(N[C@H]1CCNC1=O)c1cc(COc2cccc(F)c2)[nH]n1 67834249 VQNJAKMEWFFZHK-LBPRGKRZSA-N 318.308 0.746 0 50 DCAA COC[C@H](C)S(=O)(=O)N[C@H]1CCCO[C@@H]1c1cnn(C)c1 328619514 FYGFLAWKIYSXNA-WCFLWFBJSA-N 317.411 0.595 0 50 DCAA CNC(=O)c1cncc(/C=C/C(=O)N2C[C@@H](C)N[C@H](C)C2)c1 154257242 PIBDXYHHFGSPKM-GKUNOOHESA-N 302.378 0.663 0 50 DCAA COc1cccc(-c2cc(C(=O)N3CC[C@H](O)[C@@H](O)C3)[nH]n2)c1 72132067 VMDPNHFBJFODBJ-GJZGRUSLSA-N 317.345 0.653 0 50 DCAA C=CC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 328597920 JJLWNSAWQXXDSA-UHFFFAOYSA-N 304.375 0.586 0 50 DCAA CC(=O)N[C@@H]1CCCN(C(=O)CN2CCCC23CCOCC3)C1 363108337 RQVJUUNAISCJOU-OAHLLOKOSA-N 323.437 0.759 0 50 DCAA CNC(=O)c1ccc([C@H]2CCCCN2CC2(CO)COC2)n1C 328643594 RMIJTCZOGHMJMY-CQSZACIVSA-N 321.421 0.921 0 50 DCAA NC(=O)N[C@H](CO)C(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2 282333329 DHOGXKGZCLTSGZ-RBSFLKMASA-N 315.373 0.863 0 50 DCAA CC[C@H](C)n1nc(C(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1C 330716837 CYHGUGKOLWHIKV-VIFPVBQESA-N 319.365 0.812 0 50 DCAA NC(=O)[C@H]1c2ccccc2CCN1Cc1cc(=O)n2nccc2[nH]1 371591743 GEVPRESFFBTCFB-MRXNPFEDSA-N 323.356 0.607 0 50 DCAA COCCNc1ncnc2c1CCN(C[C@H]1CCCNC1)CC2 72454058 GBKXOWUNMWMZTQ-AWEZNQCLSA-N 319.453 0.935 0 50 DCAA CC(C)c1noc(CCNC(=O)c2cn3c(n2)CNCC3)n1 72134415 JPJPJVKWMLHIHU-UHFFFAOYSA-N 304.354 0.465 0 50 DCAA O=C(O)CC1(NC(=O)c2cccc(-n3cnnn3)c2)CCC1 262490042 LTXMUUHFHFNPJW-UHFFFAOYSA-N 301.306 0.790 0 50 DCAA CS(=O)(=O)C1CN(S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)C1 333173974 OFIPNPRVYQXBCA-QWHCGFSZSA-N 315.416 0.601 0 50 DCAA CCCCc1nn(CC(=O)NCc2n[nH]c(C)n2)c(=O)n1CC 77516664 MVIIKMKIDHUXQN-UHFFFAOYSA-N 321.385 0.150 0 50 DCAA COCc1cc(CNC(=O)c2cnn3cc(C)cnc23)n[nH]1 71776582 BMWOHYSIIMMVRF-UHFFFAOYSA-N 300.322 0.837 0 50 DCAA 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Cn1c(=O)cc(C(=O)N2CCN[C@@H](C(=O)O)C2)c2ccccc21 71707855 WKIBZMFFMWFXFV-GFCCVEGCSA-N 315.329 0.037 0 50 DCAA C[C@@H](O)C(=O)N1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1 71775748 GQEXTVPPVFYWFX-SECBINFHSA-N 300.318 0.097 0 50 DCAA CO[C@H]1C[C@@H](CN(C)C(=O)c2cc(N(C)C)ccn2)N(C)C1 285377644 YYRTVQPOYOSZCQ-KBPBESRZSA-N 306.410 0.939 0 50 DCAA Cc1nn(C)c(C)c1CCC(=O)N1C[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C1 426409170 BMVWWYIJOAFXDP-XRGAULLZSA-N 321.421 0.560 0 50 DCAA CC(C)c1noc(CCC(=O)NCCCN2CCNCC2)n1 236664619 OAHWZPCVSRNMHU-UHFFFAOYSA-N 309.414 0.537 0 50 DCAA CNC(=O)c1noc(CNC(=O)CCCN2CCCCC2)n1 95355573 XFLFXAKYLXKAEH-UHFFFAOYSA-N 309.370 0.312 0 50 DCAA CC(=O)c1ccc(NC(=O)NCCS(=O)(=O)N(C)C)cc1 231019507 DDXFYXBYWHWHAB-UHFFFAOYSA-N 313.379 0.902 0 50 DCAA Cc1nc(CC(=O)N2C[C@@H]3CCN(C)C[C@]3(C(=O)O)C2)cs1 91603745 WAWKOYAPSDTJOA-NHYWBVRUSA-N 323.418 0.859 0 50 DCAA COC(=O)C1=C[C@H](O)[C@@]23C[C@H]1[C@](C)(CO)[C@H]2CC[C@@H]3C(=O)OC 230102992 RPRKMIRJBCDBPO-SDUSXYTHSA-N 324.373 0.664 0 50 DCAA Cc1cc(C)c(C(=O)N2CCC[C@@](O)(CN(C)C)CC2)c(=O)[nH]1 91643998 ABYAHTONFCLMGV-KRWDZBQOSA-N 321.421 0.911 0 50 DCAA CN(C[C@H]1CCCCO1)C(=O)Cn1ncc(N(C)C)cc1=O 95513269 ZNCVXYINOWTLMP-CYBMUJFWSA-N 308.382 0.337 0 50 DCAA Cc1cccn(CC(=O)NCC(=O)Nc2cccnc2)c1=O 181051540 VHAOJODSCXBYOH-UHFFFAOYSA-N 300.318 0.307 0 50 DCAA Cc1ccc(CNC(=O)CCN(C)[C@H]2CCS(=O)(=O)C2)o1 244574923 CTQPMHJYAAEQKJ-LBPRGKRZSA-N 314.407 0.713 0 50 DCAA CSCC[C@@H](CO)NC(=O)c1cccc(-n2nnnc2C)c1 253415142 ZTISMCZABTXJNX-LBPRGKRZSA-N 321.406 0.815 0 50 DCAA COCCOCC(=O)N1CCN(c2ncnc(C)c2C)CC1 299761485 SHVNMAWKDUKFEZ-UHFFFAOYSA-N 308.382 0.405 0 50 DCAA CS(=O)(=O)N[C@H]1C2CN3CCN(C2)CC1(c1ccccc1)C3 824864458 MDAPGAGIAGUYLD-SIWZUTFBSA-N 321.446 0.103 0 50 DCAA C[C@@H](CNS(=O)(=O)C1CC1)NCCc1cn2ccccc2n1 584892829 JLHCSGUXLNFOKR-LBPRGKRZSA-N 322.434 0.937 0 50 DCAA Cn1c(S)nc2cc(C(=O)NCC3(O)CCC3)ccc2c1=O 170636143 DOBGNGOMNWHEJX-UHFFFAOYSA-N 319.386 0.867 0 50 DCAA CN1CC[C@H]2OCCN(C(=O)c3cnc(N(C)C)cn3)[C@H]2C1 408066417 YBTZEHCWISAOCX-QWHCGFSZSA-N 305.382 0.088 0 50 DCAA COc1cc(CN2CCC[C@](O)(CC(N)=O)C2)cc2c1OCO2 643745771 SOKZNQRKLQTBLY-INIZCTEOSA-N 322.361 0.626 0 50 DCAA O=C1[C@H](O)CCCCN1CC(=O)N(Cc1ccccn1)C1CC1 644276277 MBPHXHRHDLNMII-OAHLLOKOSA-N 317.389 0.946 0 50 DCAA CCCc1cc(NC(=O)[C@H]2Cn3c(C)nnc3CN2C)n(C)n1 644411906 BHAOMVYLKUOHBM-GFCCVEGCSA-N 317.397 0.725 0 50 DCAA C[C@H](NC(=O)NCCN(C)c1ccccc1)c1nnnn1C 790134552 RPTSXEWUQNIKQI-NSHDSACASA-N 303.370 0.707 0 50 DCAA O=C(CN1CCS(=O)(=O)CC1)N1CCC2(CCC2)CC1 672255154 BPXNAQDTLLAXKE-UHFFFAOYSA-N 300.424 0.510 0 50 DCAA CCN([C@@H](C)CN(C)C)S(=O)(=O)c1c[nH]c(C(=O)O)c1 232248615 WDSXWPWESJXHFU-VIFPVBQESA-N 303.384 0.674 0 50 DCAA COCCN1CC[C@H](C(=O)NCc2[nH]nc3ncccc23)C1 1772815320 GORYUDCPDRTPRS-NSHDSACASA-N 303.366 0.542 0 50 DCAA CC(C)[C@H]1COCCN(C(=O)c2n[nH]c3c(=O)n(C)cnc23)C1 1857527306 CSDAAZMGEQUNOM-SNVBAGLBSA-N 319.365 0.401 0 50 DCAA N[C@@H]1C[C@H](C(=O)NCCc2nc3c(s2)CCCC3)C[C@H]1O 1857730492 UHZXKLPKNYFPEM-HOSYDEDBSA-N 309.435 0.779 0 50 DCAA COc1ccc2cc1OCCNCCNC(=O)[C@H]1CNC[C@H]21 1875242272 QHFJWEXVFCHQDL-OLZOCXBDSA-N 305.378 0.096 0 50 DCAA CN(CC(=O)O)[C@H]1CN(C(=O)CCCc2ccccc2)C[C@H]1O 328604139 IPLRGXAXAMJMQI-LSDHHAIUSA-N 320.389 0.597 0 50 DCAA CN1CCN(C[C@H](O)CN2CCCC2=O)Cc2ccccc21 369208924 DATMYUCQBGYKJQ-HNNXBMFYSA-N 303.406 0.922 0 50 DCAA CC(C)(C(N)=O)N1CCN(C(=O)c2cc(F)ccc2F)CC1 266713553 JPGKGWKNZAQZLF-UHFFFAOYSA-N 311.332 0.987 0 50 DCAA CCn1nnc2cc(C(=O)N3C[C@H](O)C[C@@H]3CN(C)C)ccc21 390060525 AYCXYXUQPRBJOG-CHWSQXEVSA-N 317.393 0.588 0 50 DCAA CCCC[C@H](NC(=O)c1ncoc1COCC(=O)O)C(=O)O 863981895 SESYYLPZRNEODQ-QMMMGPOBSA-N 314.294 0.649 0 50 DCAA CN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)C1COC1 1875273829 SQIGENUYDAAALO-UHFFFAOYSA-N 323.418 0.995 0 50 DCAA C=CC(=O)N(C)CC(=O)N[C@H]1CS(=O)(=O)C12CCCCC2 1875370672 YFOBUNWTHKVWPH-NSHDSACASA-N 314.407 0.247 0 50 DCAA COc1ncccc1CNC(=O)CN1CCCC[C@@H](OC)C1=O 886087945 FGXBDJGPTOMQFR-CYBMUJFWSA-N 321.377 0.734 0 50 DCAA Cc1cnn(CCC(=O)N2CCC(CN3CCNC3=O)CC2)c1 887661229 ROKCZNDNSGJGKV-UHFFFAOYSA-N 319.409 0.845 0 50 DCAA Oc1ccc2c(c1)CC[C@@H](NC[C@@H](O)C1(O)CCOCC1)C2 905232224 LICWIQBQHKVTIT-GDBMZVCRSA-N 307.390 0.742 0 50 DCAA COc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)O 240046 BGEISYFKCAFHOB-VIFPVBQESA-N 315.347 0.851 0 50 DCAA CSCC[C@H](NC(C)=O)C(=O)NCc1cccc2ncnn12 2356154357 RXCYVKDJUKZJSN-LBPRGKRZSA-N 321.406 0.603 0 50 DCAA CCN1CCN(Cc2cc(C(=O)NCC[C@H](C)O)no2)CC1 67886611 UPRBJLAYXDTDLQ-LBPRGKRZSA-N 310.398 0.313 0 50 DCAA O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)CNCCO 67948096 UTYZCMQYMMQLKG-HNNXBMFYSA-N 314.332 0.400 0 50 DCAA CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1N[C@H]1C[C@H](C)OC1=O 252677618 ZHRBFGVNZMEBSY-USZNOCQGSA-N 304.412 0.340 0 50 DCAA CC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccc2[nH]nnc2c1 67690765 OJWAUEUKRTZCQP-GWCFXTLKSA-N 316.365 0.024 0 50 DCAA Cc1cc(C)n(NC(=O)Cc2nc(-c3ccncc3)n[nH]2)c(=O)c1 71748495 YJJIBJDESSHGNK-UHFFFAOYSA-N 324.344 0.958 0 50 DCAA CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@H]1C(=O)O 5441068 SCMSYZJDIQPSDI-SDDRHHMPSA-N 314.382 0.532 0 50 DCAA biogenic,in-vitro O=C(c1nc(=O)c2ccccc2[nH]1)N1CC(F)(F)C[C@H]1CO 364657281 MAPPQPRAQVXRDL-QMMMGPOBSA-N 309.272 0.765 0 50 DCAA Cc1nnc2n1CCN(C1CN(C(=O)CCCOC(C)C)C1)C2 328635808 NPQRSWHSIUOPBG-UHFFFAOYSA-N 321.425 0.818 0 50 DCAA C[C@@H]1CNCCN1C(=O)Cc1csc(N2CCCNC2=O)n1 125284241 MQRRAYIOKJIWLS-SNVBAGLBSA-N 323.422 0.426 0 50 DCAA CCN1CCN(C(=O)CC2CCN([C@H](C)C(=O)O)CC2)CC1 262297410 YWFPDKUBGMMLCC-CYBMUJFWSA-N 311.426 0.726 0 50 DCAA Cc1cc(C)c(C(=O)O)cc1NC(=O)CN(C)S(C)(=O)=O 262551662 TYJAAYDYFICSMO-UHFFFAOYSA-N 314.363 0.832 0 50 DCAA C[C@@]1(C(=O)N[C@@H]2CN(c3ccccc3)C2=O)CCC(=O)NC1 332679467 DGKHILBCANWRQM-MLGOLLRUSA-N 301.346 0.434 0 50 DCAA CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CCc2nc(C)nn2C1 332770914 ASMPDLJUFAUGAY-QJPTWQEYSA-N 320.397 0.115 0 50 DCAA CCc1nc(C)c(C(=O)N2CCCN(S(C)(=O)=O)CC2)o1 215260401 WPNFYMIYWMDROE-UHFFFAOYSA-N 315.395 0.653 0 50 DCAA C[C@@H](C(=O)O)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 226087174 FBUORZSDBYQLDS-QMMMGPOBSA-N 301.320 0.697 0 50 DCAA COc1ncc(C(=O)NCC[C@@H](C)N2CCN(C)CC2)cn1 426477704 JBJZQVRLRAAEBL-GFCCVEGCSA-N 307.398 0.241 0 50 DCAA O=C(C[C@H]1CCc2ccccc21)NCC(=O)N1CCNCC1 97172852 GJQZEIBYCNRTIE-CQSZACIVSA-N 301.390 0.655 0 50 DCAA Cc1c[nH]c(CN(C)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)n1 95363295 VQTCCHMUMLAPPA-LBPRGKRZSA-N 307.398 0.087 0 50 DCAA CN1CCCN(CC(=O)N2CC[C@]3(CCCN(C)C3=O)C2)CC1 92038314 QGDRGNWHWDWPAI-QGZVFWFLSA-N 322.453 0.095 0 50 DCAA CC(=O)N1CCc2cc(C(=O)N[C@]3(CO)CCOC3)ccc21 182828354 JVGJLPWDVQVWNB-INIZCTEOSA-N 304.346 0.477 0 50 DCAA CN(C)C(=O)[C@H](c1ccccc1)N1CCC([C@@H](O)C(N)=O)CC1 299751237 PZWIRJUGGRBWQE-LSDHHAIUSA-N 319.405 0.374 0 50 DCAA CCOC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 260212156 DBIUDLBCUURGTH-SNVBAGLBSA-N 321.395 0.974 0 50 DCAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1cc(CO)ccn1)CC2 299766236 HHLQBBXKGALBEW-DUVNUKRYSA-N 306.362 0.718 0 50 DCAA Cc1cnn([C@@H](C)c2nc(CC(N)=O)nn2-c2cccnc2)c1 826842239 OGBYCRQVCJQNCW-NSHDSACASA-N 311.349 0.804 0 50 DCAA CCCn1cc(S(=O)(=O)NC[C@@H]2CC(=O)N(C)C2)cn1 823033295 PPMMRAJVTSBCFT-JTQLQIEISA-N 300.384 0.050 0 50 DCAA O=C(N[C@H]1CNC[C@@H]1O)c1ccc(NCc2ccncc2)cc1 1565528557 QALKBXFNIQUCRI-HOTGVXAUSA-N 312.373 0.756 0 50 DCAA Cn1nnnc1CCNC(=O)N1CCO[C@@H](C2CCCCC2)C1 680388614 HGSNLMXYSXOBEP-CYBMUJFWSA-N 322.413 0.743 0 50 DCAA COc1ccncc1CN1CC[C@@H](n2cc(C(N)=O)nn2)C1 643861870 HVTIGEQEDLDUIO-LLVKDONJSA-N 302.338 0.228 0 50 DCAA COc1cccc(CCNC(=O)CN2CCCC[C@@H](O)C2=O)c1 644312837 XSNWZBHEFFZZFT-OAHLLOKOSA-N 320.389 0.727 0 50 DCAA NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnn2c1OCCC2 572701030 OOXZZRIEARDEID-ZDUSSCGKSA-N 314.345 0.492 0 50 DCAA CC[C@H]1CN(C(=O)C2(C(=O)O)CC=CC2)CCN1C[C@H](C)O 663109498 FBFLFASEZBLWPW-STQMWFEESA-N 310.394 0.711 0 50 DCAA CC[C@]1(O)CCN(C(=O)c2cn3cc(Cl)cnc3n2)C[C@@H]1O 216713353 IWCLLFCKAGISAH-FZMZJTMJSA-N 324.768 0.731 0 50 DCAA Cc1cc2cccc(C(=O)N[C@H]3CCO[C@H](CO)[C@H]3O)c2o1 1857675288 RAYQFNIEXYRPBA-MJBXVCDLSA-N 305.330 0.982 0 50 DCAA COc1ccccc1CCNC(=O)CN1CC[C@H](CO)[C@H](O)C1 554743163 XYFZKMYTSLGQQJ-HUUCEWRRSA-N 322.405 0.029 0 50 DCAA Cc1cc(C(=O)N2CCn3c(nn(CC(F)F)c3=O)C2)no1 364075927 UNYZPVKMRHMTME-UHFFFAOYSA-N 313.264 0.262 0 50 DCAA CCOc1cc2c(cc1NC(=O)CNC(=O)CN)O[C@@H](C)C2 261928958 JEYYWEILLCMXFS-VIFPVBQESA-N 307.350 0.422 0 50 DCAA C[C@](O)(CNC(=O)CCc1nc(-c2ccco2)no1)C(=O)O 262554635 UOTZBMCBFKGMLK-ZDUSSCGKSA-N 309.278 0.214 0 50 DCAA Cc1ccc(-c2noc(C[C@H]3CNCCS3(=O)=O)n2)cn1 904552458 CQHKMQQCJARUOO-NSHDSACASA-N 308.363 0.369 0 50 DCAA COC[C@]1(C(N)=O)CCCN1Cc1cnn(-c2ccccc2)n1 818188985 SWQQOXGPNROKNY-INIZCTEOSA-N 315.377 0.734 0 50 DCAA C[C@@H]1Cc2cc(S(=O)(=O)NCCc3ncnn3C)ccc2O1 1875265325 OFDYPEYTMXFJGL-SNVBAGLBSA-N 322.390 0.660 0 50 DCAA CCOc1cncc(=NS(=O)(=O)c2cnc3n2CCCC3)[nH]1 1875280206 ZTRHHOFLWWNCDQ-UHFFFAOYSA-N 323.378 0.631 0 50 DCAA Cn1cc([C@@]23CC[C@@H]2CCN3C(=O)[C@@H]2CO[C@@H]3CNC[C@@H]32)cn1 1875395032 HKJLGJKXFYDFOP-WDGOXLLCSA-N 316.405 0.492 0 50 DCAA C=CC(=O)N(C)CC(=O)N1CCc2[nH]nc(C(F)(F)F)c2C1 1875366214 NXFONUXGCBPKIO-UHFFFAOYSA-N 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CCC[C@@H](CNc1n[nH]c([C@@H]2CCS(=O)(=O)C2)n1)OC 1776005216 BLSAZNHYIGQJMC-ZJUUUORDSA-N 302.400 0.934 0 50 DCAA COC(=O)C1=NN[C@@]2(C)C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 81704 BRQFQQZGMSCVNR-MEBBXXQBSA-N 301.302 0.375 0 50 DCAA C/C(Cl)=C\Cn1c(S)nc2c1c(=O)n(C)c(=O)n2C 5177281 BAZDEQCAAQRNLM-GQCTYLIASA-N 300.771 0.865 0 50 DCAA Cc1cc(C2CCN(S(=O)(=O)c3nncn3C)CC2)on1 2325817962 JRGWXZYSRFGUQF-UHFFFAOYSA-N 311.367 0.680 0 50 DCAA COCCCNC(=S)NCc1ccc(S(N)(=O)=O)cc1 2855786 LDVSCIDZCVTTEY-UHFFFAOYSA-N 317.436 0.335 0 50 DCAA NC(=O)[C@]1(O)CCN(C(=O)C2(c3cccc(Cl)c3)CC2)C1 225556566 XWRNJZKUGAUGBM-HNNXBMFYSA-N 308.765 0.820 0 50 DCAA O=C(NCC1CCN(CCO)CC1)NC1CCN(C2CC2)CC1 111810624 NOULJPOQZHEGCN-UHFFFAOYSA-N 324.469 0.617 0 50 DCAA C[C@](O)(CNC(=O)C1(S(C)(=O)=O)CCCC1)C(F)(F)F 330507419 MWGNQAMYMGLPSN-VIFPVBQESA-N 317.329 0.773 0 50 DCAA C[C@]12CCCN1C(=O)N([C@@H]1CCN(CC(F)(F)F)C1=O)C2=O 253420078 DCEMTGLOPJIZEK-PRHODGIISA-N 319.283 0.966 0 50 DCAA CNC(=O)[C@@H]1CCCN(C(=O)c2n[nH]c(=O)c3ccccc23)C1 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DCAA Cc1n[nH]c(C)c1S(=O)(=O)N1CC(F)(F)C[C@@H]1C(=O)O 629306664 FGQRMICDDRRBEH-SSDOTTSWSA-N 309.294 0.509 0 50 DCAA CCc1ccc(S(=O)(=O)N2CC([C@H](OC)C(=O)O)C2)o1 2325792395 YHNHPUNGLYWCMX-NSHDSACASA-N 303.336 0.562 0 50 DCAA CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2nncs2)C1 6747027 KSDXTHWSHICFNA-QMMMGPOBSA-N 304.397 0.538 0 50 DCAA C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cccc(C(N)=O)c1 246837230 CXARFAHOHLXJRA-YPMHNXCESA-N 323.418 0.643 0 50 DCAA CCN1CCN(Cc2cc(C(=O)N(C)C[C@@H](C)O)no2)CC1 67805231 XKBZBICWNHWOJG-GFCCVEGCSA-N 310.398 0.265 0 50 DCAA CCOc1ccc(CC(=O)N2CCC[C@](O)(C(N)=O)C2)cc1 319524718 OEZLAFMHGVPCDS-MRXNPFEDSA-N 306.362 0.467 0 50 DCAA COc1ccc(OC)c(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)c1 322685808 KTSUHAMWDIVXOQ-HNNXBMFYSA-N 319.317 0.128 0 50 DCAA C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 328644086 RQKWOMTUODWBCJ-MELADBBJSA-N 304.394 0.934 0 50 DCAA Nc1nccnc1C(=O)Nc1ccc(C2=NNC(=O)CC2)cc1 362476483 KIUGFVXRFKGPLE-UHFFFAOYSA-N 310.317 0.925 0 50 DCAA CCc1nc(CNC(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)cs1 219756907 VYOHQOOSTSYORA-LBPRGKRZSA-N 321.406 0.792 0 50 DCAA Cc1nn(C)c2ncnc(N3C[C@H](O)[C@@H](N4CCCCC4)C3)c12 72475985 MXSCYZYWRIIEJR-STQMWFEESA-N 316.409 0.707 0 50 DCAA N=C(O)[C@]1(O)CCN(C(=O)C2CN(C(=O)C3CCCCC3)C2)C1 333666703 NBPXSANCTKUYGH-INIZCTEOSA-N 323.393 0.524 0 50 DCAA CCn1ccnc(N2CCN(C)[C@@H](c3nccn3C)C2)c1=O 373684973 WIGVMDZOABJFNR-GFCCVEGCSA-N 302.382 0.490 0 50 DCAA C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccn(CC(=O)O)n1)CS2 262902386 BPRGBEVOBWPNBE-ISVAXAHUSA-N 324.362 0.360 0 50 DCAA CCOc1ccc(OC[C@H](O)CN2CCC[C@H]2C(N)=O)cc1 241401138 NBLFXQPBUVNTGB-DOMZBBRYSA-N 308.378 0.775 0 50 DCAA Cc1n[nH]cc1CNC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O 285226794 PPSNPAHPKOKZQQ-MGPQQGTHSA-N 308.382 0.790 0 50 DCAA CCOCCn1nc(C)cc1C(=O)NC[C@H]1CN(C)CCN1C 221204824 RGWVKUOEQVPFKS-AWEZNQCLSA-N 323.441 0.204 0 50 DCAA Cc1cc(=O)c(C(=O)NCCN2CCC[C@H](CO)C2)cn1C 426403492 LVWFDDJCBCIEGY-ZDUSSCGKSA-N 307.394 0.128 0 50 DCAA CN1CCCNC(=O)C12CCN(C(=O)C(=O)c1ccco1)CC2 426488233 MKZYIIQVPSPUBE-UHFFFAOYSA-N 319.361 0.275 0 50 DCAA CC(C)CN1C[C@H](C(=O)NCCCc2nn[nH]n2)CCC1=O 426678120 PLNXYUCPZCEYGJ-LLVKDONJSA-N 308.386 0.143 0 50 DCAA CN(C)[C@@H]1CCC[C@H]1NC(=O)c1cccc(OCC(N)=O)c1 613660193 VKSZJZCTPHWYHR-ZIAGYGMSSA-N 305.378 0.763 0 50 DCAA O=C(N1C[C@H]2C[C@H](O)[C@H](O)C[C@H]2C1)C1(Cn2ccnc2)CC1 220315468 GOYPXTLDBBPGHW-LVEBTZEWSA-N 305.378 0.254 0 50 DCAA O=C(O)[C@H]1CCCN(C(=O)c2cccc(-n3cnnn3)c2)C1 238080170 FCBAQCJKXFCCHR-NSHDSACASA-N 301.306 0.599 0 50 DCAA Cc1c(CN2CCC3(CC2)[C@@H](C(=O)O)CC(=O)N3C)cnn1C 95370936 UUPVPIUYUJWGFO-CYBMUJFWSA-N 320.393 0.626 0 50 DCAA Cn1nc(CO)c2c1CCN(CC(=O)NCC1CCCCC1)C2 244872988 WHZJPHCHGYLNKA-UHFFFAOYSA-N 320.437 0.967 0 50 DCAA COC(=O)c1cnc(O)c([C@H](CC(N)=O)c2cccnc2)c1O 253623696 HKGVVUVJRGLMRE-SECBINFHSA-N 317.301 0.682 0 50 DCAA biogenic O=C(Cc1cn2ccsc2n1)N[C@H]1COC[C@@H]1N1CCCC1 534676676 INVRVEMQRSIQPG-STQMWFEESA-N 320.418 0.918 0 50 DCAA Cc1cccc([C@@H](CNC(=O)CNC(=O)N(C)C)N(C)C)c1 534580452 VSWTXWOSIPLCAH-CQSZACIVSA-N 306.410 0.985 0 50 DCAA Cn1cnc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC(=O)N2)c1 299756912 DPERFBBYKLUETN-ZDUSSCGKSA-N 313.361 0.736 0 50 DCAA Cc1noc(C)c1CCC(=O)N1CC[C@H](CS(N)(=O)=O)C1 299791418 CPCAIIAOVDZCGG-NSHDSACASA-N 315.395 0.361 0 50 DCAA COC[C@@H]1CCCN1S(=O)(=O)NC1CCN(C(C)C)CC1 824371007 KFJRGHMSKUCMRW-AWEZNQCLSA-N 319.471 0.804 0 50 DCAA CC(C)Cc1noc(CN(C)C(=O)CCc2nncn2C)n1 584897555 IWTZIPHIXRZYCJ-UHFFFAOYSA-N 306.370 0.988 0 50 DCAA O=C(CCn1c(CO)nc2ccccc21)N[C@H]1COCC[C@@H]1O 1565513382 KDPPCQZFHRHJKY-JSGCOSHPSA-N 319.361 0.185 0 50 DCAA O=C(O)[C@H]1COCCN1C(=O)c1ccn(-c2ccccc2)n1 268989322 RGJLIMMONWSMAW-CYBMUJFWSA-N 301.302 0.798 0 50 DCAA CCC(=O)N1CCC(C(=O)NC2CCN(CCO)CC2)CC1 952982979 CXWGJKUHIMKGEL-UHFFFAOYSA-N 311.426 0.208 0 50 DCAA Cc1nn(C)c(C)c1CCC(=O)N1CCO[C@H](C(=O)N(C)C)C1 952979682 RASIFGXWBKIKKX-AWEZNQCLSA-N 322.409 0.285 0 50 DCAA C[C@@H](Cn1cccn1)NC(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 275380095 ZBCWMJWSKALTAP-FPMFFAJLSA-N 303.366 0.899 0 50 DCAA CN(Cc1ccccn1)C(=O)[C@H]1C[C@@H](O)CN1c1ccncn1 635379931 CAXPUIIPKCUTTO-ZIAGYGMSSA-N 313.361 0.470 0 50 DCAA CN1CCN(c2cc(NC[C@H](C3CC3)N(C)C)ncn2)CC1=O 302563040 METROSKCYFMTBL-CYBMUJFWSA-N 318.425 0.507 0 50 DCAA C[C@@]1(C(N)=O)CCN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2)C1 408327791 VBLLZIXXYIMKRE-ZWNOBZJWSA-N 321.343 0.985 0 50 DCAA CCn1nccc1CCN1CCC[C@](O)(CC(=O)N(C)C)C1 643813069 ZEJDFHXLQYATFT-INIZCTEOSA-N 308.426 0.751 0 50 DCAA C[C@H](CNC(=O)[C@]1(Cl)C[C@H]2CC[C@H]1O2)N1CCOCC1 585138783 XWLHHRMFOXSMJI-BYNQJWBRSA-N 302.802 0.752 0 50 DCAA Cc1nnc(SCC(=O)N2Cc3nc(C)n(C)c(=O)c3C2)o1 1506401911 KPKOCQKYSVTVFO-UHFFFAOYSA-N 321.362 0.415 0 50 DCAA O=C1CC[C@@H]2CN(Cc3cnc[nH]3)CC[C@@H]2N1CCCCO 215012025 OGEFMIHLVMAODJ-HIFRSBDPSA-N 306.410 0.995 0 50 DCAA CN(C)C(=O)CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1nccs1)C2 222293248 QOFNCJCYULAGOD-NEPJUHHUSA-N 322.434 0.654 0 50 DCAA CN1CCC(O)(C(=O)N[C@@H]2COC[C@H]2Cc2ccncc2)CC1 1704342961 GWULVJRIFNTWCG-HUUCEWRRSA-N 319.405 0.212 0 50 DCAA O=C(O)[C@]12COC[C@H]1CN(Cc1ccc(OCCO)cc1)C2 1775978584 FVWJQSJUOIJIEG-CZUORRHYSA-N 307.346 0.591 0 50 DCAA CN1C(=O)NCC12CN(C(=O)c1c3c(nn1C)CCCC3)C2 1857700680 FNCCSPATOFUYAP-UHFFFAOYSA-N 303.366 0.149 0 50 DCAA Cc1nc(C)c(CC(=O)N[C@H]2C[C@H]3CO[C@@H](C)CN3C2)c(O)n1 1857718187 CCSUZGVXEHZJQS-XDTLVQLUSA-N 320.393 0.319 0 50 DCAA CCCn1cc(C(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3C)c(C)n1 1857718582 LLMWYSDDKAGASP-OLZOCXBDSA-N 320.393 0.531 0 50 DCAA Cc1cccn2c(=O)cc(CN3CC[C@H](CO)[C@H](O)C3)nc12 562383025 MFWLZFAIZMVFJA-TZMCWYRMSA-N 303.362 0.178 0 50 DCAA O=C(c1ccccc1-n1cnnc1)N1CC[C@H](CO)[C@H](O)C1 1875248923 YHDURKTXMLBFHI-BXUZGUMPSA-N 302.334 0.083 0 50 DCAA CO[C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@H]1c1cnn[nH]1 622169971 GFJXJESHWOCXCA-WCQYABFASA-N 321.381 0.148 0 50 DCAA O=C(c1ccc2nc(O)[nH]c2n1)N1CCN(C(=O)C2CC2)C1 333709957 IGJGAIOAFCARFT-UHFFFAOYSA-N 301.306 0.315 0 50 DCAA C[C@]1(NC(=O)C2CCS(=O)(=O)CC2)CCCC[C@@H]1C(=O)O 262818236 PHHGZRYYLSRPBE-RISCZKNCSA-N 317.407 0.961 0 50 DCAA CN(C)c1nc(O)cc([C@@H]2CCN(CCn3cncn3)C2)n1 864328058 BBFYLSSHTAEQQB-LLVKDONJSA-N 303.370 0.329 0 50 DCAA CO[C@H]1C[C@@H](Cn2ccc(N)n2)N(C(=O)c2conc2C)C1 952887370 ATSSCUZPTYTVPO-QWRGUYRKSA-N 305.338 0.691 0 50 DCAA CNS(=O)(=O)CCn1cc([C@H](O)c2ccc(F)cc2)nn1 1875282515 ICKNWLPIKNEOBA-GFCCVEGCSA-N 314.342 0.048 0 50 DCAA NCC1(NS(=O)(=O)[C@H]2C[C@H]2c2ccccc2)CCOCC1 1875275438 UWFZLXCYLSCKSR-KBPBESRZSA-N 310.419 0.970 0 50 DCAA C=CC(=O)N1CCC(C(=O)NC[C@@H]2CCN(C)C(=O)C2)CC1 1875365848 YQOFDCYUMNKMJX-GFCCVEGCSA-N 307.394 0.396 0 50 DCAA NC(=O)c1cc(C(=O)N2CCN(c3ccnc(O)c3)CC2)c[nH]1 1875337670 ZAJSJIIQHUIVSD-UHFFFAOYSA-N 315.333 0.177 0 50 DCAA Cc1ncc(C(=O)N[C@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)c(C)n1 888094799 CUOPRDDSMAXBMN-YDHLFZDLSA-N 318.377 0.649 0 50 DCAA C[C@H]1CS(=O)(=O)CCN1CC(=O)N(C)C1CCCCC1 172422660 PWQHTGTYIVZEQF-LBPRGKRZSA-N 302.440 0.896 0 50 DCAA O=C1CCC2(CN(C(=O)[C@@H](O)c3cccc4c3OCC4)C2)N1 2325782919 MQGAUAAFIOBWSD-ZDUSSCGKSA-N 302.330 0.146 0 50 DCAA Cn1[nH]c(=NC(=O)C(=O)N[C@@H](CO)C2CC2)cc1C1CCCC1 2325795883 CNDYFGVYQZSROY-LBPRGKRZSA-N 320.393 0.325 0 50 DCAA C[C@H](C(=O)N1CCS(=O)CC1)c1cccc(-c2nn[nH]n2)c1 2325806751 DSCRYFRAQSVLIQ-JTQLQIEISA-N 319.390 0.561 0 50 DCAA CNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 467164 UXSGITODSYBHKI-UHFFFAOYSA-N 314.363 0.076 0 50 DCAA COc1cc(C(=S)N2CCN(C)CC2)ccc1OCC(N)=O 2887008 JEJLFHMMPFHAIM-UHFFFAOYSA-N 323.418 0.482 0 50 DCAA CCc1cc(C(=O)N2CCC[C@@]23CCCN(CCO)C3=O)n[nH]1 2356165723 HKPHKJVCKYHBOZ-MRXNPFEDSA-N 320.393 0.562 0 50 DCAA CO[C@@H]1C[C@@H](CO)N(C(=O)COc2ccc(F)cc2F)C1 345213515 AACAMLYFNFPLED-WDEREUQCSA-N 301.289 0.952 0 50 DCAA O=C(NCCc1c[nH]c(=O)[nH]c1=O)c1scc2c1CCCC2 67772293 PDASKBWSEMPBFG-UHFFFAOYSA-N 319.386 0.976 0 50 DCAA CN(C)[C@@H]1C[C@@H](CO)N(C(=O)Cn2cc3ccccc3n2)C1 65404213 VRZOSOMYWFAWDE-KGLIPLIRSA-N 302.378 0.560 0 50 DCAA O=C(CNCCO)Nc1ccc(I)cc1 2570943 JKELPVBKZMDMDH-UHFFFAOYSA-N 320.130 0.812 0 50 DCAA C[C@@H](NC(=O)C1CCN(Cc2cccn2C)CC1)C(=O)N(C)C 71746876 MMNSDGZUYLKHHC-CYBMUJFWSA-N 320.437 0.830 0 50 DCAA Cc1cc(N2CCCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)ccn1 77354822 OCVBNYZBIRNBFA-AWEZNQCLSA-N 317.393 0.452 0 50 DCAA CN1CCO[C@H](CN(CC2CC2)C(=O)c2cnn(C)c2N)C1 328632256 LGGJRFMNBZCMGB-LBPRGKRZSA-N 307.398 0.185 0 50 DCAA O=C(Cn1ccnc1-c1ccccc1)N1CCOC[C@@H](O)C1 77299954 DABDMBLIPQMWPQ-AWEZNQCLSA-N 301.346 0.770 0 50 DCAA CC(C)c1nnc2n1CCN(S(=O)(=O)c1cnc[nH]1)[C@H]2C 375367020 MCDIHTXRASNGLA-VIFPVBQESA-N 310.383 0.890 0 50 DCAA O=C(NCC[C@H]1CCNC1)c1cnc2nc(O)nc(O)c2c1 262587017 WPQDSLJOUJDYIN-MRVPVSSYSA-N 303.322 0.165 0 50 DCAA O=C(NCCN1CCc2ccccc21)[C@H]1NCCc2[nH]cnc21 72430230 XQVZPHCJJSDTRB-INIZCTEOSA-N 311.389 0.775 0 50 DCAA CCCc1ncncc1C(=O)N1CCC[C@](O)(CN(C)C)C1 72147404 LHOIEYLFQPXKME-INIZCTEOSA-N 306.410 0.958 0 50 DCAA Cc1cc(C(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)ccn1 333524568 WUNPYQYACKFMKI-HNNXBMFYSA-N 316.405 0.815 0 50 DCAA COc1c(CN2CCN(C)[C@H](c3nc(C)no3)C2)c(C)nn1C 285441597 IUYHMSMCDHIUIP-ZDUSSCGKSA-N 320.397 0.917 0 50 DCAA O=C(O)Cc1ccccc1CNS(=O)(=O)C[C@H]1CCCO1 133034330 OJJSIVWHTAYVHF-CYBMUJFWSA-N 313.375 0.912 0 50 DCAA Cc1ccc(N2CCN(C(=O)Cc3nc(O)n[nH]3)CC2)cc1 426443066 VQEBPAWLMUMLKR-UHFFFAOYSA-N 301.350 0.710 0 50 DCAA CC[C@H](C(=O)N1CC23CN(C)CC2(CN(C)C3)C1)n1cccn1 91364722 NUKKVPGFPHLYIJ-ODIFPOPNSA-N 317.437 0.540 0 50 DCAA CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1c[nH]cn1)C2 92019822 WZJIIQMAFFQWDO-DGCLKSJQSA-N 313.427 0.112 0 50 DCAA CN(CCNC(=O)Nc1cccc2cn[nH]c12)S(C)(=O)=O 95507615 CGTHGFPHHOAQLI-UHFFFAOYSA-N 311.367 0.576 0 50 DCAA O=C(CCc1cn[nH]c1)N1CC[C@@]2(CCCN(CCO)C2=O)C1 91651398 MKSVLIGAZNVXLX-INIZCTEOSA-N 320.393 0.176 0 50 DCAA CCn1ccnc1[C@H]1CCCN(C(=O)CN2CCOCC2)C1 95498715 JERUZSJYZYQUNR-AWEZNQCLSA-N 306.410 0.941 0 50 DCAA CO[C@H]1[C@H]2C[C@H]([C@H]1O)[C@H]1C(=O)N(c3ccccc3O)C(=O)[C@@H]21 244724108 MNTQQONGKPBETQ-PTWJTAHMSA-N 303.314 0.523 0 50 DCAA CCCc1noc(CCCC(=O)N2CCO[C@@H](C(=O)NC)C2)n1 183563793 NWJIXUNIHLIFRK-LLVKDONJSA-N 324.381 0.318 0 50 DCAA CCOc1cc(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)ncn1 299739647 QYKGHNXRCUONRC-SNVBAGLBSA-N 317.353 0.407 0 50 DCAA C[C@@H]1C[C@H](C(=O)O)CN(c2cc(N3CCC[C@@H]3CO)ncn2)C1 263287823 YGNOZKWULSTJEH-FRRDWIJNSA-N 320.393 0.985 0 50 DCAA CSc1ncccc1C(=O)N1CCN(c2nc[nH]n2)CC1 299790507 BMZJGOZHMAIEIX-UHFFFAOYSA-N 304.379 0.884 0 50 DCAA O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CCCN[C@H]3C2)cc1 299922937 VCYQYGBSZGAZPV-GWCFXTLKSA-N 311.363 0.967 0 50 DCAA NS(=O)(=O)C[C@@H]1CCN(C(=O)c2cccc3c2NCCC3)C1 299800042 ZDMPKLTZSHFDRA-LLVKDONJSA-N 323.418 0.795 0 50 DCAA CCN1CCNC(=O)[C@@H]1CC(=O)NCCCc1ccccn1 299792474 FZEKNBPPDCCSMW-AWEZNQCLSA-N 304.394 0.341 0 50 DCAA O=C1NCC(=O)N2CCN(C(=O)Cc3ccccc3Cl)C[C@@H]12 299796267 NODLFECLKVEGMP-LBPRGKRZSA-N 321.764 0.052 0 50 DCAA COCCCCN1CCN(C(=O)CN2CCC[C@@H](O)C2)CC1 584895875 ATDYNPOGNMDTLM-OAHLLOKOSA-N 313.442 0.014 0 50 DCAA CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H]1CCC(F)(F)C1 408334017 KTBSYUOTOVNBDW-VHSXEESVSA-N 310.366 0.962 0 50 DCAA C[C@@H](c1cccc(O)c1)N(C)C(=O)CN1C(=O)CN(C)C1=O 268594478 CFSKUYFYGBRYHM-JTQLQIEISA-N 305.334 0.806 0 50 DCAA O=C(O)c1cn([C@H]2CCCN(C(=O)Cc3cccnc3)C2)nn1 630196958 KKFHWXWCGKSBCM-LBPRGKRZSA-N 315.333 0.778 0 50 DCAA CN1N=C(C(=O)N[C@H]2CCO[C@@H]2c2cccnc2)CCC1=O 275482748 UOFORSSDHXVKGV-SMDDNHRTSA-N 302.334 0.636 0 50 DCAA Cc1nc(CN2CCN(C(=O)[C@@H]3CCCO[C@@H]3C)CC2)no1 191424103 ITPINLYKPGOGMV-DGCLKSJQSA-N 308.382 0.837 0 50 DCAA CN(C)Cc1nc(C(=O)N(C)CCN2CCOCC2)cs1 1506428446 PCFQOMRTZLEZSX-UHFFFAOYSA-N 312.439 0.609 0 50 DCAA Cc1nnnn1CCC(=O)N[C@@H]1COC[C@H]1Cc1ccncc1 1529120791 KHTFJIWGPRGVEL-ZIAGYGMSSA-N 316.365 0.141 0 50 DCAA COCCc1noc(CN2C[C@H](O)[C@H](Cc3cc(C)[nH]n3)C2)n1 1704298653 KKINVJAJMMGBEI-YPMHNXCESA-N 321.381 0.325 0 50 DCAA O=C(NCc1cccnc1-n1cncn1)c1ccc2c[nH]nc2n1 1775981661 MQXGEXAJDQWIIY-UHFFFAOYSA-N 320.316 0.864 0 50 DCAA COC(=O)c1cc(=N)[nH]c(N2Cc3ccccc3[C@H](O)C2)n1 1857675951 IIFPQADQZSJSSN-GFCCVEGCSA-N 300.318 0.729 0 50 DCAA COc1cnc(C)cc1C(=O)N1CC[C@H](CS(N)(=O)=O)C1 1857709806 SHROQCPALUIIDH-JTQLQIEISA-N 313.379 0.149 0 50 DCAA O=C(CNc1cccnc1)N[C@@H]1C[C@H]2CO[C@H](C3CC3)CN2C1 1857737926 JQTWVLATDUDFRO-PMPSAXMXSA-N 316.405 0.861 0 50 DCAA C[C@H](C(=O)N1CC[C@H](N)C1)S(=O)(=O)c1ccc(F)cc1 237413470 FUCAHOZTYKKQMG-KOLCDFICSA-N 300.355 0.548 0 50 DCAA Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1 1672949 CMOLPZZVECHXKN-UHFFFAOYSA-N 303.317 0.915 0 50 DCAA in-vitro COC[C@]1(C(N)=O)CCCN1C(=O)c1cccc(OC)c1F 643940637 MMIQSKWJJNKCCY-HNNXBMFYSA-N 310.325 0.941 0 50 DCAA COC[C@@H]1C[C@@H](O)CN1C(=O)N[C@@H]1CCc2nc(C)ncc2C1 650619948 RNQPCKNKAICQPI-HZSPNIEDSA-N 320.393 0.434 0 50 DCAA CNC(=O)CCCN(C)[C@H]1CCCN(c2cnn(C)c2)C1=O 154799129 SHQWNYQUIFFMDU-ZDUSSCGKSA-N 307.398 0.374 0 50 DCAA Cc1cn(C)nc1CN[C@@H]1CCC(=O)N[C@H]1C1CCNCC1 903783912 HIOXCXASLMAAIW-CJNGLKHVSA-N 305.426 0.465 0 50 DCAA CN1C(=O)COc2cccc(NC(=O)[C@@]3(C)CCNC(=O)C3)c21 906134796 PFBFYURXVKQRQH-INIZCTEOSA-N 317.345 0.897 0 50 DCAA COc1cncc(S(=O)(=O)N2CCC[C@@H]3C[C@@]32C(=O)O)c1 926604149 AHYPBESUECOQNZ-RNCFNFMXSA-N 312.347 0.718 0 50 DCAA O=C(N[C@H]1C=CCC1)N1CCOC2(CCS(=O)(=O)CC2)C1 1122061336 JQQFRFGOZFODLT-LBPRGKRZSA-N 314.407 0.694 0 50 DCAA C[C@@H]1CC(C(=O)NCCc2nnc3n2CCNC3=O)C[C@@H](C)C1 952882155 JAOXSWPHDNFYDD-QWRGUYRKSA-N 319.409 0.753 0 50 DCAA O=C(NS(=O)(=O)Cc1cccnc1)[C@H]1Cc2cccnc2C1 1875284468 VIXQUOQCVKYCLP-ZDUSSCGKSA-N 317.370 0.838 0 50 DCAA Cc1ccc2c(c1)nc(CCNC(=O)[C@H](O)C(C)(C)O)n2C 1875270490 PBUCELQYEHTPNO-AWEZNQCLSA-N 305.378 0.672 0 50 DCAA C[C@@H](N[C@@H]1CCOC1)[C@H](O)C(=O)N[C@@H]1CCOc2ccccc21 1875316469 TWOUDPLWGVDROH-NCZKRNLISA-N 320.389 0.754 0 50 DCAA CS(=O)(=O)NC(=O)c1cccn1-c1ccc2c(c1)OCCO2 1875390852 VBLZRKIJHMGHPG-UHFFFAOYSA-N 322.342 0.938 0 50 DCAA NCc1cc(O)nc(CNC(=O)c2ccc3c(c2)OCCN3)n1 1875346412 CUWRFERGACBQIE-UHFFFAOYSA-N 315.333 0.375 0 50 DCAA NC(=O)c1c[nH]c(C(=O)NCC[C@H](N)Cc2ccccc2)c1 1875358960 OMEDZUZOCFEEFG-ZDUSSCGKSA-N 300.362 0.804 0 50 DCAA C[C@H](C(=O)NS(C)(=O)=O)c1ccc2c(c1)CS(=O)(=O)C2 1875382504 DJOOKHVXDVEFFU-QMMMGPOBSA-N 317.388 0.294 0 50 DCAA NS(=O)(=O)C[C@H]1CCN(C(=O)c2cccc3cc[nH]c23)C1 885301610 KVFJXLFCAAAHHA-JTQLQIEISA-N 307.375 0.919 0 50 DCAA COc1ccccc1CN1CCN([C@]2(C(N)=O)CCOC2)CC1 886026746 TWQBEPFWUMMPRW-QGZVFWFLSA-N 319.405 0.457 0 50 DCAA CCOc1cc(C(=O)N2CCC(c3nc(O)n[nH]3)CC2)[nH]n1 1775988162 QPCSENPNHIVARQ-UHFFFAOYSA-N 306.326 0.652 0 50 DCAA Cc1sc(C(=O)O)cc1S(=O)(=O)N1CC[C@H](C(=O)O)O1 1776005818 JWUWNTWRLZIHAW-ZCFIWIBFSA-N 321.332 0.534 0 50 DCAA CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C[C@@H](N)C(C)(C)C)CC1 2325795483 HZPFRCOUQKOPOK-ZIAGYGMSSA-N 324.469 0.515 0 50 DCAA Cn1nnnc1[C@@H]1CN(S(=O)(=O)CC2CCCC2)CCO1 2356134372 KNWBKXCDQRSJAO-NSHDSACASA-N 315.399 0.103 0 50 DCAA O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)[C@H]1CC(=O)N(CC2CC2)C1 225357941 LTRQIRMFBYLGAU-VBQJREDUSA-N 322.405 0.699 0 50 DCAA CN(C)S(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1 10338158 YLXRQDYZQGHLIT-UHFFFAOYSA-N 303.428 0.564 0 50 DCAA NC(=O)NC(=O)CCNC(=O)[C@H]1CCN(C2CCCCC2)C1 137081781 JIHFZIDPEQVCMW-NSHDSACASA-N 310.398 0.342 0 50 DCAA CO[C@H](CN)CC(=O)N1CCCN(c2nc(C)ns2)CC1 328588664 UUKHLYDIDITJCS-NSHDSACASA-N 313.427 0.249 0 50 DCAA Cc1nn(C)c(C)c1CC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 253394506 JMKRRZVGNIKMSM-CABCVRRESA-N 306.410 0.511 0 50 DCAA Cc1nccc(N2CCN(C(=O)[C@](C)(O)C3CCC3)CC2)n1 487150261 LUZYDHMGUUOACH-MRXNPFEDSA-N 304.394 0.985 0 50 DCAA CCC(C)(C)NC(=O)CN1CCCn2nc([C@H](O)CO)cc2C1 219780050 RODHKXHSUVDLRY-CQSZACIVSA-N 324.425 0.419 0 50 DCAA O=C(NCCc1cnc[nH]1)c1cn(CC[C@H]2CCCCN2)nn1 216290041 FVKFTYWJZMLERS-GFCCVEGCSA-N 317.397 0.506 0 50 DCAA CCNC(=O)N[C@@H]1CN(C(=O)c2nc(C)oc2C)C[C@H]1OC 606444620 JIEVARPTRUMGOW-GHMZBOCLSA-N 310.354 0.450 0 50 DCAA Cn1cc(C(=O)N[C@@H]2COCC[C@@H]2OCc2cscn2)cn1 223518293 ZPJZINBUKLOIFQ-OLZOCXBDSA-N 322.390 0.981 0 50 DCAA CO[C@@H]1COCC[C@@H]1CNC(=O)N1C[C@@H](C(=O)O)C[C@@H](C)C1 263307289 HKZHKYNUPKXVIN-FVCCEPFGSA-N 314.382 0.790 0 50 DCAA Cc1nn(C)c(C)c1CNC(=O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)O 226547890 FJJQBBLQDBWKOM-NDBYEHHHSA-N 307.350 0.531 0 50 DCAA CC(C)N1CCC[C@@H](C(=O)N2CCN(c3nc[nH]n3)CC2)C1 426487964 IRAXEVUPPMQYCZ-CYBMUJFWSA-N 306.414 0.574 0 50 DCAA CC(=O)N1CC[C@@H](NC(=O)c2cccc3c2ccn3C)[C@H](O)C1 426602507 NILGAFZKUVHARF-GDBMZVCRSA-N 315.373 0.890 0 50 DCAA COCCN1CCC2(CC1)CCN(CCC(=O)O)C[C@H]2CO 97797722 HQYQYCHZQBWIHJ-AWEZNQCLSA-N 314.426 0.504 0 50 DCAA NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(Cl)cc1 179688034 BVZSWJQRSPJZQK-JTQLQIEISA-N 304.755 0.215 0 50 DCAA Cc1ccnc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c1 95361324 GWMRSWYBCTXEDN-CYBMUJFWSA-N 304.394 0.416 0 50 DCAA Cn1nc(CC(N)=O)nc1-c1ccc(N2CCOCC2)cc1 91907507 BTKKLYYDMMTKER-UHFFFAOYSA-N 301.350 0.347 0 50 DCAA COCCn1cnnc1CNC(=O)CN1CCCCCCC1 244748745 ONKVHQHWNOWDNC-UHFFFAOYSA-N 309.414 0.807 0 50 DCAA CC(C)c1ncc(C(=O)NCCN2CCC[C@H](CO)C2)c(O)n1 253536700 LHIUYPUUFOWKSS-LBPRGKRZSA-N 322.409 0.740 0 50 DCAA C[C@@H](NC(=O)CN1CCC([C@H](O)C(N)=O)CC1)c1ccccc1 299749934 MDCHZIFXMLJZST-WBMJQRKESA-N 319.405 0.422 0 50 DCAA O=C(NCc1cnn(Cc2ccccc2)c1)[C@@H]1C[C@H](O)CN1 299751076 PKOSWJOARAAUOV-GJZGRUSLSA-N 300.362 0.270 0 50 DCAA CCC(=O)Nc1cccc(C(=O)N2CCO[C@H](C(=O)O)C2)c1 262949484 INJLEJMPIFIYTN-LBPRGKRZSA-N 306.318 0.961 0 50 DCAA CCn1cc(NC(=O)NC[C@H]2CCN(CCCOC)C2)nn1 299775996 MYZTXOLQRSCYDP-GFCCVEGCSA-N 310.402 0.778 0 50 DCAA CN(C)C[C@H]1COCCN(C(=O)CNC(=O)c2ccccc2)C1 299778933 RQJNHYXIRDNTKG-CQSZACIVSA-N 319.405 0.453 0 50 DCAA O=C(NCc1nnc2n1CCNCC2)c1c(F)cccc1F 299787624 PWHHWHXQXQHCCO-UHFFFAOYSA-N 307.304 0.632 0 50 DCAA COC1CCN(S(=O)(=O)NCC[C@@H]2CCCN(C)C2)CC1 657011221 LIVRCDWZNJDWGJ-ZDUSSCGKSA-N 319.471 0.664 0 50 DCAA CN1C[C@@H](Cn2cnc3cc(Cl)ccc3c2=O)OCC1=O 584891893 XESLTLVLSIFGLF-JTQLQIEISA-N 307.737 0.907 0 50 DCAA Cc1nc(CNC(=O)[C@H](c2cccnc2)N2CCCC2)n[nH]1 827654455 NREDLFWYNRIXEE-AWEZNQCLSA-N 300.366 0.961 0 50 DCAA CSc1ncc(CNC(=O)[C@@H]2CCCCn3nnnc32)n1C 670473663 ZHQFKNJISHFHCO-SNVBAGLBSA-N 321.410 0.712 0 50 DCAA Cc1noc(-c2ccc(NC(=O)N[C@H]3CNCC[C@@H]3O)cc2)n1 1565510486 RJFYHGBJOIBAKP-STQMWFEESA-N 317.349 0.889 0 50 DCAA NC(=O)CCCC(=O)N[C@H]1CCOC[C@@H]1Oc1ccccn1 1565527800 SMHSCAPCVDYYEM-RYUDHWBXSA-N 307.350 0.390 0 50 DCAA COCCNC(=O)c1cccc(NC(=O)CCNC(C)=O)c1C 952964136 MJXGVSICNUOPEN-UHFFFAOYSA-N 321.377 0.836 0 50 DCAA CN1C(=O)NC2(CCN(Cc3cn(C(C)(C)C)nn3)CC2)C1=O 582453749 ZGNKSZZZFGGLOW-UHFFFAOYSA-N 320.397 0.549 0 50 DCAA CCCC[C@](C)(CO)NC(=O)[C@@H](CC(=O)OC)NC(C)=O 585112889 HHCYWLCKANJIAA-BXUZGUMPSA-N 302.371 0.112 0 50 DCAA Cc1ncc(CN(CCO)C(=O)[C@H]2Cc3ccccc3CN2)[nH]1 1704326295 TXQFVRMKPQQPJI-MRXNPFEDSA-N 314.389 0.754 0 50 DCAA CN1CC2(CCN(C(=O)c3csc(N)n3)CC2)OCC1=O 1775979818 NEMBBXKCEQPFGQ-UHFFFAOYSA-N 310.379 0.189 0 50 DCAA COc1cc(C(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3C)ccc1F 1857713382 XHKOEGYBSJMHJT-NEPJUHHUSA-N 322.336 0.764 0 50 DCAA C[C@@H](Oc1cccnc1)C(=O)N1CCO[C@H](Cn2ccnn2)C1 636219047 AKIGLAWWVAKEHW-OCCSQVGLSA-N 317.349 0.368 0 50 DCAA CCCn1c(C)nnc1CN1CCC[C@](O)(CC(=O)NC)C1 643817714 ZWLUAWCLBWFXFU-HNNXBMFYSA-N 309.414 0.460 0 50 DCAA COc1ccc(F)cc1S(=O)(=O)N1CCN(CCO)CC1 12998445 GYBIZOWQYUEHIC-UHFFFAOYSA-N 318.370 0.133 0 50 DCAA CCN1C[C@@H](NC(=O)Nc2ccc(-n3nccn3)nc2)CC1=O 836293954 GRBAWGNPHHAKSV-NSHDSACASA-N 315.337 0.405 0 50 DCAA NC[C@@]12CCC[C@@](C(=O)Nc3cnc4ccnn4c3)(CO1)C2 1875292793 STEBPZHTGSEDIZ-GJZGRUSLSA-N 301.350 0.956 0 50 DCAA CN(Cc1nnnn1C)C(=O)Cc1nnc(O)c2ccccc12 1875261107 BQROLPBGQXPVKG-UHFFFAOYSA-N 313.321 0.060 0 50 DCAA Cn1ccc([C@H](NC(=O)[C@H](O)c2ccc(F)cc2)C(=O)O)n1 1875354197 CROVZXZLPJUOJZ-NWDGAFQWSA-N 307.281 0.535 0 50 DCAA CCN(CC(F)(F)F)C(=O)c1cn([C@@H]2COC[C@H]2O)nn1 888093621 LERUDEQADKHXIB-RKDXNWHRSA-N 308.260 0.235 0 50 DCAA CC1(C)C[C@]1(CO)CNC(=O)C(=O)N=c1cc2n([nH]1)CCCC2 2325776097 KIDJLDZLOPMGLW-MRXNPFEDSA-N 320.393 0.105 0 50 DCAA O=C1OC[C@H]2CN(C(=O)CCc3ccc4c(c3)OCO4)C[C@@H]12 2356136843 MBBGJUWCTSXEHR-VXGBXAGGSA-N 303.314 0.979 0 50 DCAA CCn1cc(-c2nnc3n2[C@@H](C)C(=O)N(CCOC)C3)cn1 2356141739 NQECFVBKEJHIGQ-JTQLQIEISA-N 304.354 0.711 0 50 DCAA CCCc1cc(C(=O)NC[C@H](O)c2cccc(O)n2)n(C)n1 2356147469 XTPBBIGSMGLQJM-ZDUSSCGKSA-N 304.350 0.937 0 50 DCAA CCc1noc(C)c1C(=O)N1CCO[C@H](c2nnn(C)n2)C1 2356155652 LLCWAGWJFPVNHX-JTQLQIEISA-N 306.326 0.283 0 50 DCAA CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)cc1 4840471 OXTFPCHGWNZKBX-CYBMUJFWSA-N 305.334 0.879 0 50 DCAA CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)NC[C@H]1CCCO1 248288594 IEFDYUBWFWZEQZ-NEPJUHHUSA-N 320.411 0.417 0 50 DCAA CN(C)[C@@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1nnc2n1CCCCC2 1074562255 CNYWFFCPCKXQMP-GHYVTOPFSA-N 319.409 0.452 0 50 DCAA CN(c1cccnn1)C1CCN(C[C@H](O)Cn2cccn2)CC1 171628869 MUBBFCFYVHHBPO-HNNXBMFYSA-N 316.409 0.635 0 50 DCAA O=C(Cn1nc(O)ccc1=O)NCc1cc(-c2ccco2)on1 67756448 DGUILCGCEVEJOL-UHFFFAOYSA-N 316.273 0.513 0 50 DCAA CC(C)(C)Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 4011638 ZWQRYMAQBRMOGB-UHFFFAOYSA-N 322.413 0.755 0 50 DCAA biogenic Nc1nc(=O)cc(N2CCN(Cc3ccc(Cl)o3)CC2)[nH]1 215117113 QRGBAPJEUBMBBH-UHFFFAOYSA-N 309.757 0.921 0 50 DCAA Cn1cccc1-c1cc(C(=O)N2CCOC[C@H]2CC(=O)O)[nH]n1 72123951 UNXXTAQRPUBHFY-SNVBAGLBSA-N 318.333 0.731 0 50 DCAA 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O=C(O)[C@H]1C[C@H]2CC[C@H]1N2S(=O)(=O)c1cccc2nonc12 263499146 SFTLUQFPFNMASG-KHQFGBGNSA-N 323.330 0.849 0 50 DCAA COc1ccc(C(=O)N2CCN([C@H](C)C(=O)O)CC2)cc1OC 265267575 SJEYVPTXOHQLSY-LLVKDONJSA-N 322.361 0.935 0 50 DCAA NS(=O)(=O)NC1CN(C(=O)c2ccc(C(F)F)c(F)c2)C1 827344624 KRUOELFRMBPADJ-UHFFFAOYSA-N 323.296 0.381 0 50 DCAA CN(C)[C@@H]1CN(C(=O)CCc2ccoc2)C[C@@H]1n1ccnn1 862939904 IYPMMWRYWQQUMN-KGLIPLIRSA-N 303.366 0.817 0 50 DCAA CN(C)CCn1ccc(C(=O)N(C)CCc2nccc(O)n2)n1 1875296118 ZTVGXUPIOPZTIR-UHFFFAOYSA-N 318.381 0.255 0 50 DCAA Cn1ccc([C@@H](NC(=O)[C@H](O)c2ccc(F)cc2)C(=O)O)n1 1875354198 CROVZXZLPJUOJZ-VXGBXAGGSA-N 307.281 0.535 0 50 DCAA COCCn1cc([C@H]2OCC[C@@H]2NCc2nonc2C)cn1 886082344 ZFLLTLWXJLVZSZ-GXTWGEPZSA-N 307.354 0.841 0 50 DCAA O=C(NCC1(C2(O)CCC2)CC1)c1cccn2c(O)nnc12 887531825 GURLFFCIAPXYGO-UHFFFAOYSA-N 302.334 0.860 0 50 DCAA COc1nc(C(=O)NCCc2cn3nc(C)sc3n2)nn1C 2100537819 XTMIOMZUIUSSKN-UHFFFAOYSA-N 321.366 0.209 0 50 DCAA O=C(CCN1C(=O)c2ccccc2C1=O)NC[C@H]1CCCO1 215501 RVASHTVBKAJYFZ-LLVKDONJSA-N 302.330 0.968 0 50 DCAA O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccco1 466341 LVVAPWXTNXCXEX-UHFFFAOYSA-N 320.326 0.741 0 50 DCAA Cc1[nH]ccc1C(=O)N1CCC[C@]12CCCN(CCO)C2=O 2356159786 QISXDIJINRAAFG-INIZCTEOSA-N 305.378 0.913 0 50 DCAA C[S@@](=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O 4195892 OHBLCPSPVBXNBB-MGNBDDOMSA-N 305.377 0.187 0 50 DCAA CCc1nccn1CCC(=O)N1C[C@H]2COC[C@@]2(C(=O)OC)C1 2356165581 KFJWFOTZKBLVFA-LRDDRELGSA-N 321.377 0.484 0 50 DCAA CCN(CC)Cc1cnc2c(C(=O)N3CC[C@H](O)C3)cnn2c1 67833956 AGBQOFPZRZFYTD-ZDUSSCGKSA-N 317.393 0.778 0 50 DCAA NC(=O)[C@@H]1CCN(CC(=O)N[C@@H]2CCOc3ccccc32)C1 229526464 MIAJHDXMCCTJRD-DGCLKSJQSA-N 303.362 0.434 0 50 DCAA N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(O)(CO)CC1 67964898 NRNVOFFLHHFJQP-AWEZNQCLSA-N 317.389 0.384 0 50 DCAA COc1ccn2c(C(=O)N3CC(=O)NCC3(C)C)cnc2c1 332040124 VHLNMRQCCCLIMN-UHFFFAOYSA-N 302.334 0.694 0 50 DCAA COc1ccccc1CNC(=O)CN[C@H](C)c1nncn1C 65496034 WLYIOTBGRGOASP-LLVKDONJSA-N 303.366 0.791 0 50 DCAA CN(CC(=O)NC(C)(C)C)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 252444251 ZSARRHHMKUVZEG-VXGBXAGGSA-N 307.394 0.742 0 50 DCAA O=C([C@H]1CCCCN1C(=O)[C@H]1CCC(O)=N1)N1CCOCC1 329090227 IYCBGWJLGGTIEP-VXGBXAGGSA-N 309.366 0.345 0 50 DCAA Cc1ccccc1CN1CCN(C(=O)[C@H]2CN(C)C(=O)N2)CC1 72462870 KCXUHAXDFYCKGE-OAHLLOKOSA-N 316.405 0.663 0 50 DCAA CO[C@H]1CN(C(=O)c2cc3c(cc2C)OCCO3)CC[C@H]1N 71750358 LIEAXBUTGFUTJM-DOMZBBRYSA-N 306.362 0.954 0 50 DCAA C[C@H](N)[C@H]1CCCCN1S(=O)(=O)N1C[C@@H](C)OC[C@@H]1C 237574604 DOBIPSVYGDJRLT-QNWHQSFQSA-N 305.444 0.542 0 50 DCAA COc1cc(OC)cc(N2CC[C@@H](CNC(=O)C(=O)O)C2)c1 368492493 CNXFHIFUJGGKBA-JTQLQIEISA-N 308.334 0.731 0 50 DCAA COc1cccc(/C=C/C(=O)NS(=O)(=O)[C@H]2CCOC2)c1 491828055 MLFKEFLJMODRIZ-GFUIURDCSA-N 311.359 0.943 0 50 DCAA O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@@H]1OC[C@H]2COCC[C@@H]21 291399503 WWUPYIMNZRHYSS-MBEZOWKRSA-N 303.358 0.812 0 50 DCAA COc1cc(N2C[C@H](C(C)C)[C@@H](NS(C)(=O)=O)C2)ncn1 91365285 ODDDULNHZMVOJT-MNOVXSKESA-N 314.411 0.495 0 50 DCAA O=C(NCCN1CCNC1=O)Nc1cccc2nsnc12 96148476 GVGICUVKPYBYIP-UHFFFAOYSA-N 306.351 0.838 0 50 DCAA CC(C)Oc1cc(N2CC[C@]3(CCCNC3=O)C2)nc(N)n1 91645507 CXNCNWQAECOHTP-OAHLLOKOSA-N 305.382 0.953 0 50 DCAA CC(C)=CC[C@]1(CO)CCCN(C(=O)CN2CCNC(=O)C2)C1 91830227 LJMYOTCUOBBHBY-QGZVFWFLSA-N 323.437 0.376 0 50 DCAA C[C@@H](NCCC(=O)N1CCOCC1)c1nnc2ccccn12 182709975 IMRCQVHYPDWTQR-GFCCVEGCSA-N 303.366 0.629 0 50 DCAA CN1C2(CCC2)COC[C@@]1(CO)CNS(=O)(=O)C1(C)CC1 625376025 KXKCUOCWVSBIQM-AWEZNQCLSA-N 318.439 0.074 0 50 DCAA COc1cc2c(cc1OC)C(=O)N1C[C@H](N(C)C)C[C@H]1C(=O)N2 534656771 UVAOVLAOTCAPDJ-SKDRFNHKSA-N 319.361 0.801 0 50 DCAA NC(=O)NCC(=O)NCC[C@@H]1CCN(Cc2ccccc2)C1 299767003 AAHZISHWJPNMOH-CQSZACIVSA-N 304.394 0.683 0 50 DCAA CCCn1nc(C)c(NC(=O)NCCc2n[nH]c(=O)n2C)c1C 299802896 RWDKYRFDCXAGFQ-UHFFFAOYSA-N 321.385 0.696 0 50 DCAA COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(-n3cccn3)cc2)CN1 299796193 NMEHYSPHVPZJFO-JSGCOSHPSA-N 314.345 0.506 0 50 DCAA CC(C)N1CCO[C@@H](CC(=O)NCCN2CCCCC2=O)C1 584894685 YHQZLYKWHKNMGL-AWEZNQCLSA-N 311.426 0.614 0 50 DCAA CC(C)(C)N1C[C@@H](CNC(=O)CN2CCCCC2=O)CC1=O 584887795 SCWRJLPRCPKNKY-GFCCVEGCSA-N 309.410 0.762 0 50 DCAA C[C@@H]1Oc2ccccc2N(CC(=O)N2CC[C@@H](C(=O)O)C2)C1=O 269174655 JAOXJDALUZVXST-WDEREUQCSA-N 318.329 0.734 0 50 DCAA Cc1ccn2ncc(C(=O)N3CCN(S(C)(=O)=O)CC3)c2c1 271103443 LVCPSUSOGKDSRP-UHFFFAOYSA-N 322.390 0.360 0 50 DCAA CC(C)N1CC[C@@H](NC(=O)c2c[nH]nc2[C@@H]2CCOC2)C1=O 275401416 AUVRXMCPOALCGT-ZYHUDNBSSA-N 306.366 0.653 0 50 DCAA COc1cnc(NC(=O)NC2CCS(=O)(=O)CC2)s1 408138542 COPZEGJJGLJTMG-UHFFFAOYSA-N 305.381 0.850 0 50 DCAA C[C@@H](C(=O)N1CC(C)(C)[C@@H]1c1cccnc1)N1CCNCC1=O 638436346 LCMGGHJMGCNRBM-WFASDCNBSA-N 316.405 0.811 0 50 DCAA Cc1nn(C)c(Cl)c1S(=O)(=O)N1C[C@@H](C)[C@H](CO)C1 189185130 FKBGYOCQAATTAB-APPZFPTMSA-N 307.803 0.631 0 50 DCAA C[C@@]1(C2CCN(c3ncccc3C(=O)O)CC2)NC(=O)NC1=O 647451020 ITKVLFUUTFFMTK-HNNXBMFYSA-N 318.333 0.594 0 50 DCAA CC[C@H]1CN(C(=O)C2(C(=O)O)CC=CC2)CCN1C[C@@H](C)O 663109496 FBFLFASEZBLWPW-OLZOCXBDSA-N 310.394 0.711 0 50 DCAA CCOc1cccc(CC(=O)N2CCC[C@@H](c3nn[nH]n3)C2)n1 797952093 QMDAGXTVWVTKRJ-LLVKDONJSA-N 316.365 0.942 0 50 DCAA CCN1CCC(N(C(=O)C2=NN3CCCN=C3N2)C2CC2)CC1 1615556527 OMDCJUAZUCWOHA-UHFFFAOYSA-N 318.425 0.440 0 50 DCAA C[C@@H](c1nnnn1C)N(C)Cc1ncc(Br)cn1 931863854 MIZHENUMJDSVIM-ZETCQYMHSA-N 312.175 0.956 0 50 DCAA O=C(Cn1ncc(N2CCCC2)cc1=O)N[C@H]1CCCOC1 19866690 LZAHJHSKMYJIGH-LBPRGKRZSA-N 306.366 0.139 0 50 DCAA CNC(=O)NCCC(=O)N1CCOC[C@H]1c1c(C)n[nH]c1C 344560603 UYTWPINWMAOVDV-NSHDSACASA-N 309.370 0.246 0 50 DCAA CN1CCN(C)[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)C1 264721216 DZGARBRYFPTGNO-GFCCVEGCSA-N 317.842 0.864 0 50 DCAA Cn1cc(CNC(=O)[C@@H]2CCCN(CC(F)(F)F)C2=O)nn1 935330584 JMXBPBXRIXYGKD-VIFPVBQESA-N 319.287 0.232 0 50 DCAA Cn1cc([C@@H]2C[C@@H](C(=O)O)CN(C(=O)[C@H]3CCOC3)C2)cn1 868453187 PKGCGFORADHNGI-QJPTWQEYSA-N 307.350 0.473 0 50 DCAA CCn1nc(C)c(CN2CCC[C@](O)(Cc3nc(C)no3)C2)n1 886091738 PRKUQOJPCJYTLG-HNNXBMFYSA-N 320.397 0.867 0 50 DCAA CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)C(F)=C3CCC3)C2)C1 888098211 HHPPFFBQEJVEIE-SNVBAGLBSA-N 309.341 0.199 0 50 DCAA O=S1(=O)CC[C@@H](CCN2CCC3(CC2)CNCCO3)C1 828394704 ZYGKMOCBPJDHIR-CYBMUJFWSA-N 302.440 0.266 0 50 DCAA O=C(O)[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cccc2ncccc12 849332325 LTIWFAZMGZORDX-WCQYABFASA-N 322.342 0.755 0 50 DCAA O=C([C@H]1CCN1Cc1ccccc1)N1CCCC(CO)(CO)C1 2325810430 KUFSLYJXAFQPNI-MRXNPFEDSA-N 318.417 0.854 0 50 DCAA COc1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)cc1OC 4840240 NKZRHXFUNLNUKC-NSHDSACASA-N 308.334 0.938 0 50 DCAA Cc1noc(C)c1-n1c(CCCN2CCOCC2)n[nH]c1=O 65376023 MWQVUAJRONONEV-UHFFFAOYSA-N 307.354 0.430 0 50 DCAA Cc1cnn(C[C@H](C)N[C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)c1 229550874 JWLJNFAQGLSRSI-BFHYXJOUSA-N 321.425 0.282 0 50 DCAA CC1(C)NC(=O)N(CCCn2cnn(C(C)(C)C)c2=O)C1=O 120322214 IYMDKIPARMBSFN-UHFFFAOYSA-N 309.370 0.520 0 50 DCAA Cc1noc([C@H]2CN(C(=O)[C@H](C)n3cncn3)CCN2C)n1 328979319 XIQZVZHZKASYNW-GXSJLCMTSA-N 305.342 0.046 0 50 DCAA CN(CCc1noc(C2CC2)n1)C(=O)[C@@H]1NCCc2[nH]cnc21 72448493 ZFNVDVWAOWERJA-CYBMUJFWSA-N 316.365 0.558 0 50 DCAA Cc1ncc(S(=O)(=O)N2C[C@@H](CO)Oc3ccccc32)[nH]1 366122363 ZMURBRJOKHWWNF-JTQLQIEISA-N 309.347 0.667 0 50 DCAA Cc1nonc1CC(=O)N(C)Cc1nc(=O)c2ccccc2[nH]1 215982381 OOXKJXBVQVWPPX-UHFFFAOYSA-N 313.317 0.816 0 50 DCAA CC1(C)CN(C(=O)c2cncc(-n3ccnn3)c2)CC[C@H]1O 283030333 IIBVOHGVXXZMNC-CYBMUJFWSA-N 301.350 0.895 0 50 DCAA O=C(COCC(F)(F)F)N1CCC[C@](O)(Cn2ccnn2)C1 285109890 ZQOCXPOOUKDEBT-LLVKDONJSA-N 322.287 0.211 0 50 DCAA O=C(O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1F 45796113 BQHVAVXPWVYGMK-UHFFFAOYSA-N 307.274 0.684 0 50 DCAA N[C@H]1C[C@@H](C(=O)O)N(C(=O)CCC(=O)c2ccc(F)cc2)C1 82125854 VSJZJYRFFLGGRW-RYUDHWBXSA-N 308.309 0.801 0 50 DCAA CN1C(=O)C[C@@H](C(=O)NC(C)(C)c2nnc(N)s2)C1(C)C 426624908 WXZTWRRYLQKXKL-ZETCQYMHSA-N 311.411 0.729 0 50 DCAA CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(C)c(OCCN)c1 426536579 XNNBXQAPMHXFGR-CYBMUJFWSA-N 305.378 0.683 0 50 DCAA Nc1nc(NCCSc2cnn[nH]2)cc(C2CC(N)C2)n1 223709270 OASGLTCYYDUTQB-UHFFFAOYSA-N 306.399 0.586 0 50 DCAA Cc1nnnn1[C@H](C(=O)N1CCc2[nH]cnc2C1)c1ccccc1 95357688 SOVCKDBBDDUXHN-HNNXBMFYSA-N 323.360 0.879 0 50 DCAA Cc1cc(C)n([C@H]2CCN(C(=O)CN3C(=O)CCNC3=O)C2)n1 95527950 MPVOSPHLNJHHGM-LBPRGKRZSA-N 319.365 0.215 0 50 DCAA CCn1nc(C)c(CCNC(=O)c2ccc(=O)n(C)n2)c1C 97155722 NLAIHQRBWHZWJI-UHFFFAOYSA-N 303.366 0.586 0 50 DCAA CN(C)C(=O)CCc1ccccc1NC(=O)NCc1nnn[nH]1 96165087 JGDWXSRBGMXSJK-UHFFFAOYSA-N 317.353 0.542 0 50 DCAA O=C(CCN1CCCO1)N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 244874189 WWGDKJHEKDTCHT-XHSDSOJGSA-N 319.405 0.907 0 50 DCAA C[C@H](Cn1cncn1)NC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 299138544 XRNQKSNVQDAWQN-HRDYMLBCSA-N 319.287 0.240 0 50 DCAA Cc1sc(C(=O)N2CCC[C@H]2CN)cc1S(N)(=O)=O 299739992 UNLVZPLZBVDSNL-QMMMGPOBSA-N 303.409 0.267 0 50 DCAA O=C(O)[C@H]1COCCN1C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 299745489 ZMUSAFBWUBPFCF-ZYHUDNBSSA-N 310.350 0.090 0 50 DCAA COCCN1C(=O)N[C@@H]2CN(Cc3ccc(CO)cc3)CC[C@@H]21 299746757 ZPBSMZVHAHGAFT-CVEARBPZSA-N 319.405 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DCAA CN1CCn2nc(C(=O)N3C[C@H]4CCC[C@H]4C3)cc2S1(=O)=O 890266948 IXACCCUCDJFLJT-PHIMTYICSA-N 324.406 0.389 0 50 DCAA O=S1(=O)CC[C@@]2(CN(c3ncnc4[nH]ccc34)CCO2)C1 1773161526 ZUUXGWGRTMOMOU-CYBMUJFWSA-N 308.363 0.352 0 50 DCAA CCN1CCC[C@H](N2CC(NC(=O)c3c[nH]nc3C)C2)C1=O 1775962094 RZXSUBSNJNJAAB-ZDUSSCGKSA-N 305.382 0.143 0 50 DCAA Nc1ccn2ncc(C(=O)N[C@H]3CC(=O)N(CC4CC4)C3)c2c1 1775961302 PGSNTJVBHVVCIL-LBPRGKRZSA-N 313.361 0.657 0 50 DCAA CS(=O)(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 35889376 NZGHRDSROOOMCN-UHFFFAOYSA-N 303.428 0.013 0 50 DCAA COC(=O)[C@H]1CN(C(=O)C2=NNC(=O)C2)Cc2ccccc21 2325758824 DYTISLVSCXNZHE-NSHDSACASA-N 301.302 0.161 0 50 DCAA CC1(C)CN(C(=O)C[C@]2(CCN)COCCO2)C(C)(C)CO1 2325774694 JHOQHLRFJOMJNA-MRXNPFEDSA-N 314.426 0.927 0 50 DCAA Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc12 2163992 NDYYJXGERWTRSD-UHFFFAOYSA-N 303.317 0.915 0 50 DCAA Cc1ccc(C(=O)N(C)C)cc1S(=O)(=O)N1CCOCC1 6430227 VQQXJZPBXMITGC-UHFFFAOYSA-N 312.391 0.718 0 50 DCAA NC(=O)CN1CCC[C@@H](C(=O)NCCCc2ccccc2O)C1 55108363 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O[C@@]1(CNCC2(c3ccccc3)CCOCC2)CNCCOC1 77421887 VESYVVXVMPCAKJ-GOSISDBHSA-N 320.433 0.675 0 50 DCAA CO[C@H]1C[C@@H](C(N)=O)N(CC(=O)NCc2cccc(C)c2)C1 284588328 IUBLDMWTKRMXKW-KBPBESRZSA-N 305.378 0.186 0 50 DCAA CC(C)N1C(=O)C[C@@H](NS(=O)(=O)c2cccs2)C1=O 175716770 FRPUMKFSGQXKIL-MRVPVSSYSA-N 302.377 0.562 0 50 DCAA CN1CC[C@@H]2OCCN(C(=O)c3cnn(C)c3C3CC3)[C@@H]2C1 285082236 DBSCBWJUHZQKRR-KGLIPLIRSA-N 304.394 0.843 0 50 DCAA CCn1cc(CCN2CCC[C@](O)(Cn3ccnn3)C2)cn1 285583452 BEHMKIABJLFFIY-OAHLLOKOSA-N 304.398 0.564 0 50 DCAA COc1ccccc1[C@@H](O)CNC(=O)C1(OC)CCNCC1 178419583 NRCPUIUUWFLIPB-ZDUSSCGKSA-N 308.378 0.613 0 50 DCAA CN1CC[C@@H](NC(=O)N2CCN(c3ccccn3)CC2)C1=O 130027988 SADRBYKPFUTPNT-GFCCVEGCSA-N 303.366 0.144 0 50 DCAA Cc1c(Cl)c(C(=O)N2CC(CN3CCOCC3)C2)nn1C 615148520 PELYPZXWNAZCIF-UHFFFAOYSA-N 312.801 0.786 0 50 DCAA CN1C[C@H](c2nc(C3CCOCC3)nn2CC(=O)O)CC1=O 97527291 JCFBGYQRDJWMPE-SNVBAGLBSA-N 308.338 0.202 0 50 DCAA CN(C)c1cccc(CNC(=O)CC[C@H]2NC(=O)NC2=O)c1 92037741 PRZCWEBMSRQQIF-GFCCVEGCSA-N 304.350 0.357 0 50 DCAA CN1CCC[C@]2(CCN(S(=O)(=O)c3cnn(C)c3)C2)C1=O 91643741 WUONNROKHNEPNL-CYBMUJFWSA-N 312.395 0.053 0 50 DCAA Cc1cc(C)c2c(NCCN(C)S(C)(=O)=O)ncnc2n1 95372321 ZONMSXKTSAACRC-UHFFFAOYSA-N 309.395 0.945 0 50 DCAA NC(=O)CNC(=O)[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 92099978 SRSGTQQTMUEMNE-CQSZACIVSA-N 317.389 0.459 0 50 DCAA Cn1nccc1C(=O)N(CCC(N)=O)CCc1ccccc1 97323866 MTJFJDXPFMMYSK-UHFFFAOYSA-N 300.362 0.980 0 50 DCAA O=C(Cn1cnnc1)N1CC[C@]2(CCCN(CC3CC3)C2=O)C1 91476340 XYUKEURRBGZBCK-MRXNPFEDSA-N 317.393 0.529 0 50 DCAA CN(CCNc1nccc(-c2ccccn2)n1)S(C)(=O)=O 96163245 PERXLAXSKLMOCT-UHFFFAOYSA-N 307.379 0.842 0 50 DCAA CCOCC(=O)N1CCC(C(=O)N(C)Cc2ncc[nH]2)CC1 299777326 JSBMOZUPJVKXAU-UHFFFAOYSA-N 308.382 0.643 0 50 DCAA O=C(NC1CCN(C(=O)N2CCCC2)CC1)c1cnc(O)cn1 299768616 LIWITPHEWVIYSS-UHFFFAOYSA-N 319.365 0.592 0 50 DCAA CNC(=O)Cn1cc(NC(=O)[C@H]2COc3ccccc3O2)cn1 298922228 GJCKFQTVAJYJEM-CYBMUJFWSA-N 316.317 0.408 0 50 DCAA Cn1nc(C(=O)N2CCc3ccccc3[C@H]2C(=O)O)cc1O 585135105 XYHXAEPYYQDCFK-ZDUSSCGKSA-N 301.302 0.950 0 50 DCAA COCCN1C[C@@H]2CC[C@H]1CN(Cc1nc(COC)no1)C2 1565525487 ZYWGSVUKZIKWMB-OLZOCXBDSA-N 310.398 0.759 0 50 DCAA CN(C)CCO[C@H]1COCC[C@@H]1NC(=O)CCc1ccnn1C 1565510766 QPGXMTNALWLDEO-GJZGRUSLSA-N 324.425 0.205 0 50 DCAA CCS(=O)(=O)N1CCC[C@H](CNC(=O)C2CCOCC2)C1 952871680 AXWXIMYMAVPQBN-GFCCVEGCSA-N 318.439 0.591 0 50 DCAA CCn1cc(S(=O)(=O)N[C@@H]2CCCS(=O)(=O)C2)nc1C 408060133 SHGPFRKFVOOTFQ-SNVBAGLBSA-N 321.424 0.067 0 50 DCAA C[C@@](O)(CNC(=O)c1c[nH]c(C(N)=O)c1)c1ccc(F)cc1 759969521 IBWAOJJFROKCLL-OAHLLOKOSA-N 305.309 0.890 0 50 DCAA O=C(O)CN1CCCC[C@@H](N2CCC3(CCOCC3)C2)C1=O 643874180 QTHKBIIPMAOBJC-CYBMUJFWSA-N 310.394 0.955 0 50 DCAA CN1CCN(C(=O)CN2CCCC[C@H](O)C2=O)c2cccnc21 644384901 SXYBTUHUACJBDB-ZDUSSCGKSA-N 318.377 0.238 0 50 DCAA C[C@@H](C(=O)N(C)C)S(=O)(=O)N(C)C1CCC(CO)CC1 194029236 MVYSVZNBVBLBEU-UNXYVOJBSA-N 306.428 0.276 0 50 DCAA CCn1nnc2c(N3CCN(C[C@H](O)C4CC4)CC3)ncnc21 1614998702 ADYIREOEJVYIKV-LBPRGKRZSA-N 317.397 0.134 0 50 DCAA CN1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CCC1=O 1615589812 VOWSBSHQARKHMO-UKRRQHHQSA-N 302.378 0.485 0 50 DCAA Cc1ncn(CCNc2nc3c(c(O)nc(=O)n3C)n2C)c1C 1529159294 SDTKOXIRJKWFKJ-UHFFFAOYSA-N 317.353 0.298 0 50 DCAA COc1cc(N2C[C@@H](O)[C@H](Cc3ccccn3)C2)nc(N)n1 1704324635 BXJJSYPBWKJYAN-ZYHUDNBSSA-N 301.350 0.502 0 50 DCAA CO[C@H]1C[C@H](C(=O)N(C)CC2CCC2)N(S(C)(=O)=O)C1 328588120 VOABTDNHLLXXTG-NWDGAFQWSA-N 304.412 0.294 0 50 DCAA O=C(O)[C@@H]1CCCN1C(=O)c1c[nH]c(=O)c(Br)c1 238078469 XZSIEVFNSMCFKA-QMMMGPOBSA-N 315.123 0.827 0 50 DCAA Cc1ncc(CN(CCO)C(=O)CCCN2CCCCC2=O)[nH]1 1704314400 PPWIPGBPOYFTSX-UHFFFAOYSA-N 322.409 0.832 0 50 DCAA Cc1nn(C)cc1NC(=O)CN1C[C@@H]2COCC[C@]2(C(=O)O)C1 1772701271 LDDWMIDQCYVMMU-ABAIWWIYSA-N 322.365 0.090 0 50 DCAA CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O 13646338 DOFAQXCYFQKSHT-SRVKXCTJSA-N 311.382 0.036 0 50 DCAA in-vitro O=C(c1ccncc1)N1CCC(N2CC[C@H](CO)[C@H](O)C2)CC1 1875244795 VEEWOGNDTOFVOG-GDBMZVCRSA-N 319.405 0.361 0 50 DCAA COC(=O)c1ccc([C@H]2NC(=S)NC(C)=C2C(N)=O)cc1 71748 UNHSNIZBHIHSMR-LLVKDONJSA-N 305.359 0.751 0 50 DCAA CN1CC[C@@H]2OCCN(C(=O)c3cc(C(F)(F)F)n[nH]3)[C@H]2C1 329155541 BQRUMBCGSAPOEZ-UWVGGRQHSA-N 318.299 0.974 0 50 DCAA O=C(NCc1cccc2c1CCOC2)N1CC[C@H](O)[C@H](CO)C1 637698747 JGJKPLGIOWHBMB-HOCLYGCPSA-N 320.389 0.644 0 50 DCAA O=C(Cn1cc(CC2(O)CCC2)nn1)N1CCOC[C@@H]1C1CC1 641156016 KXIHRELQDZXMLZ-CQSZACIVSA-N 320.393 0.373 0 50 DCAA COc1ccnc(CN2CCC[C@](O)(CC(=O)N(C)C)C2)c1 643811596 YTTUMULWCMLHRO-INIZCTEOSA-N 307.394 0.895 0 50 DCAA CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](O)CN2)cc1OCC 236926688 KUFLXPZDLNWZLC-KGLIPLIRSA-N 322.405 0.866 0 50 DCAA COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)N(C)C(C)C 129495734 DDNSWEQPNBMICZ-JTQLQIEISA-N 317.415 0.434 0 50 DCAA CC[C@](C)(CNC(=O)c1cc(N2CCNC(=O)C2)ccn1)OC 452743530 USWRDWJEVXRSKY-MRXNPFEDSA-N 320.393 0.563 0 50 DCAA CN(CC(=O)O)C(=O)[C@H](c1cccc(F)c1)N1CCOCC1 153076875 YVUUEZJWFKZQQI-AWEZNQCLSA-N 310.325 0.742 0 50 DCAA C[C@H]1CCCN(C(=O)COc2ccc(C(N)=O)cc2)[C@H]1C(=O)O 263089614 UCAPWMAGYDLVRU-IINYFYTJSA-N 320.345 0.876 0 50 DCAA O=C(O)C[C@@H]1COCCN1C(=O)c1ncn(-c2ccccc2)n1 263301389 NMWLGYGWZZUHAA-GFCCVEGCSA-N 316.317 0.583 0 50 DCAA CS(=O)(=O)N1CC(CN2C[C@@H](CN)[C@H](c3ccccc3)C2)C1 952877765 VDRPUUQQISPXHE-CVEARBPZSA-N 323.462 0.552 0 50 DCAA O=C1CC[C@@H](CCC(=O)N[C@@H]2Cc3cnccc3NC2=O)CN1 1875347884 VCEXRPDFTKKMLT-GXFFZTMASA-N 316.361 0.367 0 50 DCAA Cc1noc(C[C@@]2(O)CCCN(CCc3cncn3C)C2)n1 886079712 WSFCEDMFTNJTKD-HNNXBMFYSA-N 305.382 0.724 0 50 DCAA O=C(c1ccc(Br)cn1)N1CCO[C@H]2CNC[C@H]21 299744078 QRVJTVNWKZEBJQ-MNOVXSKESA-N 312.167 0.657 0 50 DCAA C[C@H](NC(=O)[C@H]1COCCO1)c1ccc(N2CCNC2=O)cc1 843986091 HFFDRAJJWCDNCG-SMDDNHRTSA-N 319.361 0.809 0 50 DCAA C=CC(=O)N(C)CC(=O)NCC1(S(C)(=O)=O)CCCC1 861683020 BETGGTRZVFQAOG-UHFFFAOYSA-N 302.396 0.104 0 50 DCAA O=S(=O)(NCCN1CCCC1)c1ccc2c(c1)OCCO2 4216602 YXPRJPDDJIPPDL-UHFFFAOYSA-N 312.391 0.832 0 50 DCAA O=C1CCCN1C[C@H](O)CN1CCN(c2cccc(O)c2)CC1 111683166 WJABYDNEUWOPGI-MRXNPFEDSA-N 319.405 0.498 0 50 DCAA CC(C)CN(Cc1ccccn1)C(=O)C[C@H]1NC(=O)NC1=O 55270339 FFVRMHCCBCITBL-GFCCVEGCSA-N 304.350 0.664 0 50 DCAA CCCN(C1CCNCC1)S(=O)(=O)c1cn(C)nc1C 420454795 MYKREMOOSYBRNM-UHFFFAOYSA-N 300.428 0.881 0 50 DCAA COCCN1C[C@@H](CNc2ncnc3c2CCNC3)CC1=O 67920187 YPLUTIUNXNGYMZ-LLVKDONJSA-N 305.382 0.029 0 50 DCAA Cc1cc(C)c(C(=O)N[C@@H]2C[C@H]3C(=O)NCC(=O)N3C2)cc1C 65502618 DOFJGKLUEMJOCW-OCCSQVGLSA-N 315.373 0.441 0 50 DCAA CCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1ccc(O)c(C(=O)O)c1 67895669 SDTJAPKKJAEPLW-PWSUYJOCSA-N 307.350 0.128 0 50 DCAA C[C@@H](C(=O)N1CCOCC1)N1CCC[C@@H](Cn2cncn2)C1 229475269 OMNKPVBRMLZXHI-UONOGXRCSA-N 307.398 0.237 0 50 DCAA C[C@H]1CN(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C[C@@H](C)O1 252452390 GKUPSWCTPRNJAP-YVECIDJPSA-N 306.362 0.573 0 50 DCAA CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O 1569740 HYIFFZAQXPUEAU-QWRGUYRKSA-N 301.387 0.092 0 50 DCAA biogenic C=CC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 328599939 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0 50 DCAA Cc1nnnn1[C@@H](C(=O)NC1(C(=O)O)CCC1)c1ccccc1 426371984 HMYZLXOFXFJGCD-GFCCVEGCSA-N 315.333 0.694 0 50 DCAA COCCc1nc(CNC(=O)c2cn3ccsc3n2)no1 91665399 PXDDQEVKPYGYTI-UHFFFAOYSA-N 307.335 0.898 0 50 DCAA COc1ccccc1OC1CN(C(=O)C[C@@H]2COCCN2)C1 91873332 SZYMCKKDDSPLSI-GFCCVEGCSA-N 306.362 0.663 0 50 DCAA Cc1nn(C)cc1C(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 244852909 VBNMYOVJYVIWBF-SCDSUCTJSA-N 303.366 0.704 0 50 DCAA O=C(O)[C@@H]1COCCN1C(=O)c1ccc(-n2cncn2)c(F)c1 299752954 WDYSGZSHECUQNH-LBPRGKRZSA-N 320.280 0.332 0 50 DCAA COc1ccc(-c2nc(CNC(=O)[C@H]3C[C@H]3C(=O)O)n[nH]2)cc1 299741660 ABWCGHBETTVDHV-WDEREUQCSA-N 316.317 0.817 0 50 DCAA CCN1CCNC(=O)[C@H]1CC(=O)N1CC(n2nc(C)cc2C)C1 299795978 MEFHAMQAOXFAPQ-CQSZACIVSA-N 319.409 0.094 0 50 DCAA COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(OC)cc2OC)CN1 299755457 CLPJJHCLEQBULC-SKDRFNHKSA-N 308.334 0.337 0 50 DCAA CC(C)(C)c1cc(CNC(=O)[C@@H]2CCC(=O)NC(=O)N2)[nH]n1 299799392 RIUFYRZASHOXRC-VIFPVBQESA-N 307.354 0.312 0 50 DCAA O=S(=O)(C[C@H]1COCCO1)N1CCCC2(CCNCC2)C1 828388797 IKUWDKKCRWHOAT-CYBMUJFWSA-N 318.439 0.197 0 50 DCAA Cc1cc(CN[C@@H]2CCC(=O)N(CC(=O)N(C)C)CC2)ccn1 584896711 VQWLTVMDJIPXSQ-OAHLLOKOSA-N 318.421 0.949 0 50 DCAA CC(C)OC[C@@H](O)CN1CCC[C@@H]1CNC(=O)c1cnn(C)c1 585136539 KCHRCXOXPDSIPJ-CABCVRRESA-N 324.425 0.400 0 50 DCAA C[C@@H](NC(=O)c1cnc(C2CCN(C)CC2)[nH]1)c1nncn1C 685942497 RQJPXAKYNVARST-SNVBAGLBSA-N 317.397 0.838 0 50 DCAA CC[C@@H](NC(C)=O)C(=O)Nc1cccc(C(=O)NC(N)=O)c1 1361979692 LWIHEPOMKHWBOS-LLVKDONJSA-N 306.322 0.348 0 50 DCAA Cc1nscc1C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 272963130 XLZXQFJHKVMRFR-SNVBAGLBSA-N 317.436 0.995 0 50 DCAA COc1ccccc1Cc1nnc2n1CCS(=O)(=O)CC2 630952098 WZGHKROALKRSNS-UHFFFAOYSA-N 307.375 0.848 0 50 DCAA CCO[C@@H]1C[C@@](CO)(NC[C@@H](C)CS(C)(=O)=O)C1(C)C 189965871 DRHXEBSFCLXHTE-BZPMIXESSA-N 307.456 0.823 0 50 DCAA COc1ccc(F)cc1S(=O)(=O)N1CCO[C@H](C(=O)O)C1 646022017 TUVJTXMFZAUZSC-JTQLQIEISA-N 319.310 0.308 0 50 DCAA CCc1ccnc(C(=O)N2CC[C@](O)(Cn3ccnn3)C2)c1 671499921 OOCKWNNCDXJVPL-OAHLLOKOSA-N 301.350 0.513 0 50 DCAA CO[C@H](C)c1nnc(NC(=O)CN2CCCN(C)CC2)s1 1506405619 KNKOROCIMHVPIJ-SNVBAGLBSA-N 313.427 0.822 0 50 DCAA CC[C@@]12C[C@H]1CN(S(=O)(=O)c1ccc(OCC(N)=O)cc1)C2 1772804209 JKBHRBRPOWPRLR-NHYWBVRUSA-N 324.402 0.971 0 50 DCAA O=C(c1cnc2cccnn12)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857667413 SDBLYUKBYPJIJG-MDZLAQPJSA-N 302.334 0.341 0 50 DCAA Cc1ccn(CCC(=O)N[C@H]2C[C@H]3CO[C@@H](C4CC4)CN3C2)n1 1857723457 GRBHNBWVMCMXEZ-HRCADAONSA-N 318.421 0.950 0 50 DCAA COCCn1nnc([C@@H]2CN(C(=O)NC(C)(C)C)CCO2)n1 1857725461 XVAKYNCNKSAWHG-JTQLQIEISA-N 312.374 0.201 0 50 DCAA Cc1cc(NC(=O)[C@H](C)N2CCC(S(N)(=O)=O)CC2)on1 330529333 RUMQJFOPALQOBO-VIFPVBQESA-N 316.383 0.063 0 50 DCAA CNC(=O)[C@@H]1Cn2c(C)nnc2CN1CCc1cccnc1 818175477 KMJUCYBEUYBXBA-ZDUSSCGKSA-N 300.366 0.154 0 50 DCAA Cc1cnc2c(c1)N(C(=O)C[C@@H]1CS(=O)(=O)CCN1C)CC2 857870682 PURXDNKGOBMXAL-GFCCVEGCSA-N 323.418 0.398 0 50 DCAA COc1nn(C)cc1C(=O)NS(=O)(=O)Cc1ccc(C)cc1 1875284555 ZKZUQWBVVLQFIP-UHFFFAOYSA-N 323.374 0.997 0 50 DCAA CN(C)C(=O)CN1CCN(c2cc(O)nc3cnccc23)CC1 1875294914 YKBJMKRBTLNYIY-UHFFFAOYSA-N 315.377 0.546 0 50 DCAA CS(=O)(=O)NC(=O)c1cn(-c2ccc(Cl)cc2)nn1 1875390270 KVWGOSGNQJELBG-UHFFFAOYSA-N 300.727 0.610 0 50 DCAA C[C@H](C(=O)Nc1ccnnc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1325496452 GUHAFJITOBGZJV-USWWRNFRSA-N 302.334 0.979 0 50 DCAA Cc1cccc2nc(CCNC(=O)[C@H](O)c3cncn3C)cn12 2325755021 DITJZPLFVJSNDM-OAHLLOKOSA-N 313.361 0.769 0 50 DCAA O=S(=O)(NC[C@]12CCCC[C@@H]1C2(F)F)N1C[C@@H]2C[C@H]1CN2 2325778298 PRMQKWODAIEMQA-FIQHERPVSA-N 321.393 0.692 0 50 DCAA CCS(=O)(=O)N(C)c1ccc(C(=O)NCCOC)cc1 6697250 HONBSFQQAHKANN-UHFFFAOYSA-N 300.380 0.849 0 50 DCAA Cc1cnc(C(=O)N2CCN(Cc3nccn3C)CC2)cn1 106032573 XUXCCGWXBGROOL-UHFFFAOYSA-N 300.366 0.477 0 50 DCAA CCNCC1CCN(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)CC1 250175362 KCJBAYNIOPKLPJ-OLZOCXBDSA-N 319.471 0.662 0 50 DCAA CC(=O)N1CSC[C@@H]1C(=O)N1CCC[C@H]1[C@H]1CCCN1C 248119914 JUOBMIYVMTXKKS-HZSPNIEDSA-N 311.451 0.993 0 50 DCAA O=c1c2c3c(sc2ncn1CCCn1cncn1)CNCC3 65381928 UUJDAMVCDUYOSH-UHFFFAOYSA-N 316.390 0.786 0 50 DCAA CCn1ncc(NC(=O)c2ccc3c(c2)OCO3)c1C(N)=O 2799241 IMFZGUDMNJQQRC-UHFFFAOYSA-N 302.290 0.983 0 50 DCAA O=C1NC[C@@]2(C(=O)O)CN(Cc3nc4ccccc4[nH]3)C[C@@H]12 72429000 MTXAQFYGDKQAKD-BJOHPYRUSA-N 300.318 0.196 0 50 DCAA CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccc(F)cn2)C1 122997141 PHGRWVBCUZDGQH-SNVBAGLBSA-N 316.358 0.766 0 50 DCAA CO[C@H]1C[C@@H](CN(C)S(=O)(=O)Cc2cc(C)on2)N(C)C1 328893521 AHETZMJHWYGKKU-STQMWFEESA-N 317.411 0.464 0 50 DCAA CNS(=O)(=O)c1csc(C(=O)N2CCC[C@H]2C(=O)O)c1 262164972 UBJJOIDEXQSSAX-QMMMGPOBSA-N 318.376 0.345 0 50 DCAA COCCOC1CCC(C(=O)N2CCCNC(=O)[C@H]2C)CC1 373591103 FRJQSQJWLSHTRN-IYXRBSQSSA-N 312.410 0.945 0 50 DCAA O=C1CNC(=O)N1CC(=O)N1CCCC[C@H]1CCn1ccnc1 77487108 JNYHSXLXUVORRQ-LBPRGKRZSA-N 319.365 0.206 0 50 DCAA COc1ccc(C2(C(=O)NC[C@@H]3CN(C)C(=O)CO3)CC2)cc1 221334158 ZNHUHCUHQLMOGO-CQSZACIVSA-N 318.373 0.700 0 50 DCAA Cc1nnn(CC(=O)Nc2ccnn2Cc2cccs2)n1 48501636 ZITNFGDYWOCINI-UHFFFAOYSA-N 303.351 0.927 0 50 DCAA O=C(O)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)NCc1ccc2c(c1)OCO2 226295741 XHVAQSUMCKGURD-MHDGFBEUSA-N 319.313 0.910 0 50 DCAA O=C(C(=O)N1CCC(O)(CN2CCCC2)CC1)c1cccnc1 223494249 PFRAPWCDQATYMH-UHFFFAOYSA-N 317.389 0.714 0 50 DCAA Cc1cnc(C)c(N2CC[C@@]3(CCCN(CCO)C3=O)C2)n1 91625360 GDBRTMAXHHLRMZ-INIZCTEOSA-N 304.394 0.905 0 50 DCAA O=C(NCCN1CCNC1=O)[C@H]1CCN(c2ccccc2)C1=O 95498118 YSGIUQJCQSQQAI-CYBMUJFWSA-N 316.361 0.181 0 50 DCAA C[C@H](O)[C@@H]1CCN(CC(=O)NC(=O)NCc2cccs2)C1 183160629 MEZVBZJJGNWHMX-WDEREUQCSA-N 311.407 0.777 0 50 DCAA CC[C@@]1(C)NC(=O)N(NC(=O)[C@@H]2COc3ccccc3O2)C1=O 298210791 KXJVUKFNSMIJFM-XHDPSFHLSA-N 319.317 0.578 0 50 DCAA O[C@@H]1CN(Cc2cncc(Br)c2)C[C@H]1n1ccnn1 628506257 ZOSGPKSMVOMPMO-VXGBXAGGSA-N 324.182 0.853 0 50 DCAA CN1CCN(S(=O)(=O)NCCCOC2CCCCC2)CC1 534587279 SGSOBRWXLBFOQJ-UHFFFAOYSA-N 319.471 0.808 0 50 DCAA CC(C)(C)c1noc(CNC(=O)c2ccc3nnnn3c2)n1 534652476 FMZLYUXCZJOKOX-UHFFFAOYSA-N 301.310 0.735 0 50 DCAA CN(Cc1cnc2ccccc2n1)C(=O)C[C@H]1CNCCO1 534663296 XQKZZRULQGHIJR-ZDUSSCGKSA-N 300.362 0.967 0 50 DCAA Cc1csc(S(=O)(=O)NCC2(O)CCN(C)CC2)c1 451237933 SASUFDXMEGSPOJ-UHFFFAOYSA-N 304.437 0.792 0 50 DCAA O=C(N[C@H]1CCCN(c2cnccn2)C1)c1ccc2nnnn2c1 584890318 ZJHJWBXFNGBAAS-LBPRGKRZSA-N 324.348 0.313 0 50 DCAA Cn1ncnc1CCNC(=O)c1ccc(CN2CCCC2)o1 670457957 ZNESUSZAGOCERZ-UHFFFAOYSA-N 303.366 0.976 0 50 DCAA COc1ncc(C)cc1NC(=O)NCC(=O)N1CCOCC1 271836131 GRJBZHNTLVLXLY-UHFFFAOYSA-N 308.338 0.379 0 50 DCAA CN(C)c1ncccc1O[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N2)C1 275527479 FLNSIOLSCQJQSY-VXGBXAGGSA-N 318.377 0.406 0 50 DCAA CC(C)NC(=O)CN(C)C(=O)c1ccc(-n2cncn2)cc1 170078134 OSPPIHQGESFTRU-UHFFFAOYSA-N 301.350 0.864 0 50 DCAA CN(CC(=O)NC1CCC(F)(F)CC1)[C@@H]1CCS(=O)(=O)C1 408021187 GMIQGQANXWJKJS-LLVKDONJSA-N 324.393 0.799 0 50 DCAA NC(=O)[C@@H]1CN(C[C@@H]2CCc3ncnn32)C[C@H]1C(F)(F)F 639674344 LEVPIRFZPHCWNU-DJLDLDEBSA-N 303.288 0.361 0 50 DCAA CN(C)S(=O)(=O)Cc1nc2cc(F)c(F)cc2c(=O)[nH]1 190419753 SSBKIIIODWNESV-UHFFFAOYSA-N 303.290 0.593 0 50 DCAA Cc1c(C(=O)N2CC[C@](O)(c3cnn[nH]3)C2)cnn1C(C)(C)C 583618824 PPABYGCVDYLLOX-OAHLLOKOSA-N 318.381 0.798 0 50 DCAA CNC(=O)[C@@H]1CCC[C@H]1Nc1ccccc1S(=O)(=O)NC 585092675 IZEBBWLTONOGHB-GHMZBOCLSA-N 311.407 0.921 0 50 DCAA COCCc1noc([C@@H]2CCCCN2CCS(C)(=O)=O)n1 1529186863 LGLVAQBUNVVXHY-NSHDSACASA-N 317.411 0.830 0 50 DCAA CO[C@H]1CN(C(=O)c2[nH]nnc2C)C[C@H]1Cc1cc(C)no1 1704336346 MATLPOOWPKGRKO-PWSUYJOCSA-N 305.338 0.739 0 50 DCAA NC(=O)c1ccc(OCCCN2CCC([C@H](O)CO)CC2)cc1 1772811447 WEPYPGZWTIAWBX-MRXNPFEDSA-N 322.405 0.620 0 50 DCAA Cc1ccc(OCC(=O)N2CC[C@]3(CNC(=O)CO3)C2)cc1 1772810917 QNXVJPQLLQMRLP-INIZCTEOSA-N 304.346 0.491 0 50 DCAA O=C(CN1CCN(C(=O)c2cncc(F)c2)CC1)N1CCCC1 164457979 YDIUTUZTTWELDA-UHFFFAOYSA-N 320.368 0.601 0 50 DCAA Cc1cc(C)n(CCNC(=O)c2nc(Cl)n(C)n2)c(=O)n1 1857691645 UIGGJILGUHWXKY-UHFFFAOYSA-N 310.745 0.072 0 50 DCAA C[C@@H](C(=O)N1CCO[C@@]2(C[C@@H]3CC[C@H](C2)N3)C1)n1cccn1 1857688475 LONCHWFPPYDKRZ-TTZDDIAXSA-N 304.394 0.956 0 50 DCAA NC(=O)CN1CCC[C@@H](C(=O)NCc2nc3ncccc3o2)C1 1857708084 UMMJBJNTKLJYIQ-SNVBAGLBSA-N 317.349 0.036 0 50 DCAA O=C(c1ccc2c[nH]nc2n1)N1CCO[C@H]2C[C@H](CO)C[C@@H]21 1857709956 ADHCVBNBGMIERI-ICCXJUOJSA-N 302.334 0.570 0 50 DCAA C[C@@]1(O)CCCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 655040966 OJPIVQLNTWGLKJ-CQSZACIVSA-N 302.338 0.434 0 50 DCAA O=C(NOC1CCOCC1)[C@H]1CSCN1C(=O)C1CCC1 1875262070 YLYXXXKCHSOEED-GFCCVEGCSA-N 314.407 0.915 0 50 DCAA Cn1[nH]c([C@@H]2CCCN2C(=O)[C@H](O)c2ccccc2)nc1=N 808008974 YHDHMYFYMHRZHK-NWDGAFQWSA-N 301.350 0.625 0 50 DCAA C[C@H]1CC2(CO1)CC(NC(=O)C(=O)NCCOC(F)F)C2 1875271484 OJGGTHUWWXZDKG-BVDKZHGWSA-N 306.309 0.416 0 50 DCAA CO[C@H]1CCN([C@H]2CCC[C@H]2N(C)S(=O)(=O)C2COC2)C1 886079240 CHVYDWYJNWTDFZ-YUTCNCBUSA-N 318.439 0.289 0 50 DCAA NC[C@@H]1CN(C(=O)NCc2noc3ccc(F)cc23)CCO1 892535509 FKARHEGQKFHSQH-SNVBAGLBSA-N 308.313 0.836 0 50 DCAA CCn1cnc(C(=O)N[C@@H]2CN(C)C[C@H]2c2cncn2C)c1 1775959866 CZYFEMTZDCAZRQ-VXGBXAGGSA-N 302.382 0.464 0 50 DCAA N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NS(=O)(=O)Cc1ccc(F)cc1 249977225 DBAQOHSASABUCN-RNJOBUHISA-N 300.355 0.360 0 50 DCAA CCc1cccc(S(=O)(=O)N(CC(=O)O)CC(=O)O)c1 274921645 BHEVTHACCYHAAX-UHFFFAOYSA-N 301.320 0.409 0 50 DCAA CN(CCc1nn[nH]n1)C(=O)c1csc(N2CCCCC2)n1 2325806905 NQMZVUUXDNZHSJ-UHFFFAOYSA-N 321.410 0.961 0 50 DCAA COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)O)cc1OC 1236687 FDEWUQADCXNEKR-LLVKDONJSA-N 308.334 0.479 0 50 DCAA Cc1cc(C(=O)N2CCC[C@]23CCCN(CCO)C3=O)on1 2356150925 HTIOMWZNCAOSCR-HNNXBMFYSA-N 307.350 0.573 0 50 DCAA COC(=O)c1ccc(C)c(NC(=O)N2CCO[C@H](C(N)=O)C2)c1 51236820 LFMZXGIRRPRDEF-LBPRGKRZSA-N 321.333 0.500 0 50 DCAA C[C@H]1Cc2cc(C(=O)N3CCOCC3)ccc2N1S(C)(=O)=O 10324431 IQKLGNLAHFCAHX-NSHDSACASA-N 324.402 0.870 0 50 DCAA CCn1c([C@@H]2CCCNC2)nn(CCCn2cccn2)c1=O 67847092 OHNUZVWROAHYNV-CYBMUJFWSA-N 304.398 0.819 0 50 DCAA CC[C@H](COC)NC(=O)Cn1nnnc1CN1CCC(C)CC1 12443219 BXURZKVASIIHNH-CYBMUJFWSA-N 324.429 0.446 0 50 DCAA Cc1nc2c(c(NCCN3CCCC[C@H]3CO)n1)CCNCC2 72429462 PDGCGJRVRLVCEE-AWEZNQCLSA-N 319.453 0.732 0 50 DCAA O=C(COCC(F)(F)F)N1CCC[C@H](N2CCNC2=O)C1 368804482 HHVMCOALDCMYNO-VIFPVBQESA-N 309.288 0.582 0 50 DCAA COc1ccc(F)cc1CNC(=O)[C@]1(O)CCCN(C(C)=O)C1 285697878 WUGXXVFZOMZOCH-INIZCTEOSA-N 324.352 0.824 0 50 DCAA COCC[C@H](NC(=O)CSc1nc(C)cc(C)n1)C(=O)O 262293162 LRNQMZSSTBKOJI-JTQLQIEISA-N 313.379 0.791 0 50 DCAA CC[C@@H]1CN(C(=O)Cc2n[nH]c(-c3ccncc3)n2)CCN1 71755450 QUPDKXPMACKYCI-GFCCVEGCSA-N 300.366 0.620 0 50 DCAA COc1ccc(C(=O)N2CC(=O)N(C)[C@H](C)C2)cc1OCCO 285893940 JHJHHZNXDNNUHY-LLVKDONJSA-N 322.361 0.369 0 50 DCAA Cc1cc(=O)n(CC(=O)N[C@@H](C)c2cn(C)nc2C)nc1C 221353914 YQVRDEPILCXEMD-NSHDSACASA-N 303.366 0.779 0 50 DCAA NC(=O)[C@]1(O)CCCN(C(=O)c2cnc3ccc(F)cc3c2)C1 285468788 KJWXVXFRCNGGTQ-INIZCTEOSA-N 317.320 0.826 0 50 DCAA NCCCOc1ccc(C(=O)N[C@@H]2CCNC2=O)cc1Cl 426548763 KLYGOBXPTSXTCX-LLVKDONJSA-N 311.769 0.686 0 50 DCAA COc1cccc(-c2cc(C(=O)N[C@@H]3CNCC[C@H]3O)n[nH]2)c1 91504282 FGOPZFZTHXYKSO-HUUCEWRRSA-N 316.361 0.538 0 50 DCAA O=C(NN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1cccnc1 244773765 PGAGSPWHPNHQCY-QEHJDLSMSA-N 309.325 0.780 0 50 DCAA O=C(CCN1CCCO1)N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1 244874188 WWGDKJHEKDTCHT-OWCLPIDISA-N 319.405 0.907 0 50 DCAA Cn1cc(O[C@@H]2CN(c3cnc4ccccc4n3)C[C@H]2O)cn1 624422129 FIYAEAMXCJXPAD-HUUCEWRRSA-N 311.345 0.992 0 50 DCAA O=C(NCCc1noc(C2CC2)n1)c1nnc2n1CCCC2 299791365 DOAHVLPNXMYWCL-UHFFFAOYSA-N 302.338 0.847 0 50 DCAA O=C(Cn1nccn1)N[C@H]1CCCN(Cc2cccc(O)c2)C1 299795009 LETZHKLSOHPTFZ-AWEZNQCLSA-N 315.377 0.765 0 50 DCAA C[C@H](CCn1cccn1)N1CCC2(CC1)CN(C)C(=O)CO2 670451716 LNMJESNCCYNKDL-CQSZACIVSA-N 306.410 0.985 0 50 DCAA COc1cc(C)ccc1CNC(C)(C)CNS(N)(=O)=O 1423427680 WLRWACPKRPKMDX-UHFFFAOYSA-N 301.412 0.665 0 50 DCAA CO[C@H]1CCOC[C@@H]1NC(=O)COc1ncnc2ccccc12 1565507107 WFSVZWXNOAUYKA-KBPBESRZSA-N 317.345 0.929 0 50 DCAA C[C@@H]1CN(C(=O)NCc2nccn2C(F)F)CCS1(=O)=O 408236336 OHXGYRLMRFPJBW-MRVPVSSYSA-N 322.337 0.607 0 50 DCAA C[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O 186640215 UHXBTFSCJAXTSH-JBLDHEPKSA-N 304.350 0.353 0 50 DCAA O=C(O)c1cnn(CC(=O)N2CC3(CCC3)[C@@H]3COC[C@@H]32)c1 630197884 FEJNYNSQLYYUAT-NEPJUHHUSA-N 305.334 0.609 0 50 DCAA Cc1cc(C(=O)N2CCC(N3C[C@H](C(=O)O)CC3=O)CC2)no1 170309601 POBXXTHCPOUAJZ-SNVBAGLBSA-N 321.333 0.521 0 50 DCAA CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CCCCO2)CC1=O 189543768 GFTQCWCADGIKDP-KGLIPLIRSA-N 309.410 0.873 0 50 DCAA CCc1ccnc(C(=O)N2CCC[C@](O)(CC(=O)NC)C2)c1 644038199 FBVXYHYFAAXFLQ-INIZCTEOSA-N 305.378 0.747 0 50 DCAA COc1ccnc(CNC(=O)N2CC[C@](C)(C(N)=O)C2)c1F 661848241 JTYWNWUELMODBU-AWEZNQCLSA-N 310.329 0.636 0 50 DCAA CN1CCN(C(=O)CN(C)C(=O)c2ccc3c(c2)OCO3)CC1 584907895 VZUSDDHJYHUASX-UHFFFAOYSA-N 319.361 0.261 0 50 DCAA CNCCN1C(=O)CC[C@@H]2CN(Cc3nc[nH]c3C)CC[C@@H]21 216985675 MBGUZKQOQSXTQE-HIFRSBDPSA-N 305.426 0.750 0 50 DCAA CN(CC(N)=O)C[C@@H]1CN(CC=Cc2ccccc2)CCO1 1857528384 SSJBFFYXIHRKCQ-MRXNPFEDSA-N 303.406 0.818 0 50 DCAA COC(=O)c1cc(=N)[nH]c(N2CC[C@H](n3nc(C)cc3C)C2)n1 1857676945 ZVRCUFDXRVNXRY-NSHDSACASA-N 316.365 0.941 0 50 DCAA Cc1nc(CC2CCN(C(=O)N[C@@H](C)C(=O)N(C)C)CC2)no1 914168012 BDBNJAORCMIKTB-JTQLQIEISA-N 323.397 0.819 0 50 DCAA Cc1c(F)cc(S(=O)(=O)N2CC[C@@H]2CO)cc1C(=O)O 907120867 KMIVNGCBBWFHGT-MRVPVSSYSA-N 303.311 0.588 0 50 DCAA Cc1c[nH]cc1C(=O)N1Cc2nnc(C)n2C[C@@H]1CN(C)C 952848434 GXEMYILZVGWWBY-LBPRGKRZSA-N 302.382 0.809 0 50 DCAA C[C@@H](CCN)N(C)C(=O)CCn1nc(O)c2ccccc2c1=O 1875346474 FEEFAGRTWXMOQB-NSHDSACASA-N 318.377 0.688 0 50 DCAA CC(C)(C)c1noc(=O)n1Cc1nnnn1CC(F)(F)F 1875316119 WFGCTXWNMNQOED-UHFFFAOYSA-N 306.248 0.731 0 50 DCAA O=C([C@H]1Cc2nccn2C1)N1CCC(c2nc(O)n[nH]2)CC1 1875309080 QEKIQTPNADPCLZ-JTQLQIEISA-N 302.338 0.285 0 50 DCAA NS(=O)(=O)C[C@H]1CCN(C(=O)c2cc3c([nH]2)CCCC3)C1 885291748 GTTYWKWEPMDFLQ-JTQLQIEISA-N 311.407 0.644 0 50 DCAA O=C(NC[C@H](O)C(F)(F)F)c1c[nH]nc1C1CCOCC1 886088636 LUUCFVATLXLXTJ-VIFPVBQESA-N 307.272 0.957 0 50 DCAA C[C@@H]1CN(C(=O)[C@H](C)c2ccccn2)C[C@H]1CS(N)(=O)=O 887864174 SIKYUNFKTJSTTR-UTUOFQBUSA-N 311.407 0.568 0 50 DCAA C[C@H](C(=O)Nc1ccnnc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1325496451 GUHAFJITOBGZJV-JLLWLGSASA-N 302.334 0.979 0 50 DCAA COc1cc(F)ccc1CN1CCO[C@H](c2nnn(C)n2)C1 2100556182 HJMVQBIPUVXLPR-ZDUSSCGKSA-N 307.329 0.931 0 50 DCAA Cn1cc2c(C(=O)N3CCC(CN)(CO)CC3)cccc2n1 2325817445 PFWCSWZBOFOHLA-UHFFFAOYSA-N 302.378 0.747 0 50 DCAA CN(c1ccc(S(C)(=O)=O)cn1)[C@@H]1C[C@@H]2CNC(=O)C[C@@H]2C1 2356146937 ARBVGHBAYCYMOL-TUAOUCFPSA-N 323.418 0.836 0 50 DCAA CC(=O)Nc1cccc(C(=O)N[C@H]2C[C@H]3CN(C)CCN3C2)c1 67934706 IBKJLYAAHXAUSC-HOTGVXAUSA-N 316.405 0.763 0 50 DCAA CN1[C@H](C(=O)O)C[C@H](C(=O)NCCCO)[C@@H]1c1ccccc1F 67803270 PUOVVHKXQITYKE-UBHSHLNASA-N 324.352 0.770 0 50 DCAA CN(C)[C@H]1CN(c2nc(C(C)(C)C)nc3c2cnn3C)C[C@@H]1O 72152887 NKMBKOCPLZZOOV-RYUDHWBXSA-N 318.425 0.772 0 50 DCAA CC(C)c1cccc(OCC(=O)N2CC[C@](O)(C(N)=O)C2)c1 319139567 XLJVEZVZLBQCKG-MRXNPFEDSA-N 306.362 0.638 0 50 DCAA NC(=O)[C@H]1CCCN1C1CCN(C(=O)C2(O)CCCC2)CC1 363643669 SRAWNUGAGRLYCI-CYBMUJFWSA-N 309.410 0.232 0 50 DCAA Cc1cc(F)ccc1S(=O)(=O)N1CC(=O)N(C)[C@@H](C)C1 282183568 ZNOVKRSDBGWCRO-JTQLQIEISA-N 300.355 0.985 0 50 DCAA Nc1ccccc1S(=O)(=O)N1CC[C@H](C(=O)N2CCCC2)C1 287149244 CIZWNCQDVWSVQY-LBPRGKRZSA-N 323.418 0.902 0 50 DCAA Cn1ncnc1CCNC(=O)[C@H]1CCCN(c2ccccn2)C1 87448821 NHDGVCZTRSUOIT-ZDUSSCGKSA-N 314.393 0.785 0 50 DCAA Cc1cc(=O)[nH]c(NCCNC(=O)CCc2cccnc2)n1 222942373 PGSGHGWEWBMSGI-UHFFFAOYSA-N 301.350 0.634 0 50 DCAA CN(Cc1noc(C2CCC2)n1)C(=O)CC[C@H]1NC(=O)NC1=O 91504023 ZAXKFMDJZVQABU-SECBINFHSA-N 321.337 0.284 0 50 DCAA COCCN(C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccccn2)C1 91712980 HYLFNEQGYXHQGG-CABCVRRESA-N 321.421 0.730 0 50 DCAA COc1cncc([C@@H](NC(=O)Cc2c[nH]cn2)[C@H]2C[C@@H](O)C2)c1 244858557 VNHLVZRTFFSRSO-WNMQOVRZSA-N 316.361 0.984 0 50 DCAA C[C@@]1(C(=O)O)CCN(C(=O)c2cccc(OCC(N)=O)c2)C1 299746557 YDHRWNQVYXVWIW-OAHLLOKOSA-N 306.318 0.488 0 50 DCAA CC(=O)c1cccc(C(=O)NCCCN2CCNC(=O)C2)c1 271056945 UYDKKIHGLMPOBL-UHFFFAOYSA-N 303.362 0.441 0 50 DCAA CCn1nc(C)c(C(=O)NCCN2CCC[C@@H](C(N)=O)C2)c1C 299802101 XHKYNZYOJZIAGY-CYBMUJFWSA-N 321.425 0.447 0 50 DCAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)c1cnc(N)nc1C)CC2 299784381 TVPPCBGQBTTXQO-ITDIGPHOSA-N 306.366 0.512 0 50 DCAA CCN1CCN(CC(=O)NCCc2noc(C3CC3)n2)CC1 299802674 NFVQKBCRHPQZPE-UHFFFAOYSA-N 307.398 0.243 0 50 DCAA Cc1cccc2[nH]c(CCNC(=O)CN3CCC(O)CC3)nc12 299792321 FNEDOJFMEFIGHE-UHFFFAOYSA-N 316.405 0.987 0 50 DCAA CSCC[C@@H]1NC(=O)[C@H](COCc2ccccc2)NC1=O 824912900 FVBPIHIIULJMAU-STQMWFEESA-N 308.403 0.940 0 50 DCAA COC[C@H]1CCCN1S(=O)(=O)NCC1(COC)CCC1 824370994 IYAGTKGCXGZOMJ-GFCCVEGCSA-N 306.428 0.748 0 50 DCAA CCc1noc(CCNC(=O)C[C@H]2CN(C(C)C)CCO2)n1 584885471 SFGABHYDXQVTKH-LBPRGKRZSA-N 310.398 0.790 0 50 DCAA Cc1ccc(C(=O)NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)cn1 685943238 UCOMDAYJEXMIMR-BFHYXJOUSA-N 315.377 0.803 0 50 DCAA COCc1nnc2n1CCN(C(=O)N[C@@H]1CCOC[C@@H]1C)C2 1413787601 DLNVQUBBHAHRMS-WDEREUQCSA-N 309.370 0.375 0 50 DCAA O=C(Cn1ccnc1)N[C@H]1CCOC[C@@H]1OCc1ccccn1 1565514202 ATPCMRISWVYSBE-GJZGRUSLSA-N 316.361 0.769 0 50 DCAA CCCn1ncnc1[C@@H](C)NC(=O)[C@H]1CCCN(CC(N)=O)C1 952967225 IWXOYZWLTPVCNG-NEPJUHHUSA-N 322.413 0.063 0 50 DCAA C[C@]1(C(=O)O)CCN(C(=O)c2ccc(CNC(N)=O)cc2)C1 269040251 QDNNJKSNFFPOFJ-HNNXBMFYSA-N 305.334 0.792 0 50 DCAA CNC(=O)[C@]1(COC)CCCN1C(=O)c1ccnn1C(C)C 643949939 YEUFQYTUKPVHNS-OAHLLOKOSA-N 308.382 0.831 0 50 DCAA NC(=O)[C@H]1CN(C(=O)c2ccncc2C(F)(F)F)CCO1 192198092 IQYGBRYKIKCXGC-SECBINFHSA-N 303.240 0.427 0 50 DCAA C[C@H]1CN(CCN(C)S(=O)(=O)c2cccnc2)C[C@@H](C)O1 194024701 RDSZKPHGRQYGSJ-BETUJISGSA-N 313.423 0.811 0 50 DCAA CN(C)[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(-n2cnnn2)cc1 681791236 YSGUPJVBKSORGX-HUUCEWRRSA-N 314.393 0.804 0 50 DCAA Cc1cccn2ncc(C(=O)N3C[C@@H]4OCCN(C)[C@H]4C3)c12 1269170726 NWBOXJAWYAEUHK-KBPBESRZSA-N 300.362 0.798 0 50 DCAA CC(C)Oc1cc(N2CC[C@H](N3CCN(C)CC3)C2)nc(N)n1 1506398251 OARPCQFXVOOVTC-ZDUSSCGKSA-N 320.441 0.672 0 50 DCAA CC1=C(C(=O)N2CCC(c3nnc(CO)n3C)CC2)OCCO1 1506396190 DGZDWZVJUDUXIN-UHFFFAOYSA-N 322.365 0.292 0 50 DCAA COc1ncccc1CN1CCC2(CC1)C[C@](O)(CO)CCO2 1704326444 XEZFYOLJQWFKGA-INIZCTEOSA-N 322.405 0.959 0 50 DCAA O=C1CO[C@@]2(CCN(c3ncc(C(=O)O)cc3Cl)C2)CN1 1772818688 JSJFEDZJKFRPCI-ZDUSSCGKSA-N 311.725 0.529 0 50 DCAA CCCCN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(C)c(=O)n1C 5147981 YFTYJMDHLSPZLJ-SNVBAGLBSA-N 318.381 0.991 0 50 DCAA CC1(C)CN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)CCO1 19792429 AMGTVOQHXRHHBI-UHFFFAOYSA-N 317.345 0.994 0 50 DCAA O=C(CCn1cncn1)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 219333712 FTANHMBYXWHLDN-TYNCELHUSA-N 301.350 0.692 0 50 DCAA CC(C)(C)n1nc(CC(N)=O)nc1[C@@H]1CCc2ncnn2C1 1857678692 KXYSDXIDWBDGDQ-SECBINFHSA-N 303.370 0.382 0 50 DCAA CN1C[C@H]2COC[C@@H]1CN(C(=O)c1cnc(O)c(Cl)c1)C2 1875246360 NYDHBIHHGJHGPS-KOLCDFICSA-N 311.769 0.843 0 50 DCAA O=C1C[C@@H](N[C@@H]2CCCOCC2)CN1CCN1CCOCC1 329137412 DGZCHSBGMIXNAM-HUUCEWRRSA-N 311.426 0.078 0 50 DCAA Cc1cccc(C[C@@H](CNC(=O)[C@@H]2CC(=O)N(C)C2)C(=O)O)c1 237150724 QMKLDSWKHNKLSU-UONOGXRCSA-N 318.373 0.833 0 50 DCAA C[C@@H](C(=O)NC1(C(N)=O)CCOCC1)n1cnc2ccccc21 676328018 NKIPVQDALYCXMF-NSHDSACASA-N 316.361 0.748 0 50 DCAA CCN1C[C@H](C(=O)Nc2cccc3c2C(=O)N(C)C3=O)CC1=O 253395373 TZGJGALGAGGBAS-SECBINFHSA-N 315.329 0.719 0 50 DCAA COC(=O)c1cnc(N2CCC(CN3CCOCC3)CC2)nc1 253415243 OJWOHCJWKXQIRH-UHFFFAOYSA-N 320.393 0.812 0 50 DCAA CN(C)c1cccnc1C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1 912456994 FJXSFMVHBAASKH-RYUDHWBXSA-N 302.378 0.888 0 50 DCAA COc1cc(C(=O)N2CCN[C@H](c3ccc(O)cc3)C2)ncn1 827925474 ABOFZGCDMRNIOS-AWEZNQCLSA-N 314.345 0.978 0 50 DCAA CCOc1cccc(CN2CCC3(CC2)C[C@@H](O)CNC3=O)n1 932833133 OHCAEMXXWPSMKE-CQSZACIVSA-N 319.405 0.943 0 50 DCAA CC[C@@H](OC)C(=O)NS(=O)(=O)c1cc(C(=O)OC)oc1C 842885666 BZCISDWPESECHO-MRVPVSSYSA-N 319.335 0.605 0 50 DCAA CNC(=O)[C@]12CCOC[C@@H]1CN(c1nc(C)cc(OC)n1)C2 952852364 BPRIOHIAHWCXHE-NHYWBVRUSA-N 306.366 0.383 0 50 DCAA CCN(CCCn1cnc(C(=O)NCCO)c1)CC(F)(F)F 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312.395 0.052 0 50 DCAA O=C(C1=CCCCO1)N1CCC[C@H](N2CCCS2(=O)=O)C1 366173012 XAMCLKGAVGUBBN-LBPRGKRZSA-N 314.407 0.707 0 50 DCAA C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)C1 240225413 DHQMONRRAXXTRK-YPMHNXCESA-N 315.439 0.706 0 50 DCAA CC(C)NC(=O)NCC[C@H]1CN(c2cnn(C)c(=O)c2)CCO1 77564563 BCEFBNWLTJQJDN-ZDUSSCGKSA-N 323.397 0.083 0 50 DCAA CNC(=O)[C@H]1CN(C(=O)c2cc[nH]c2C)C[C@@H]1c1cnn(C)c1 375730962 BCQPAMDGHUDREO-KGLIPLIRSA-N 315.377 0.658 0 50 DCAA O[C@]1(Cn2ccnn2)CCCN(Cc2cn3ccccc3n2)C1 285466571 KOHDUAAJAQKAMK-MRXNPFEDSA-N 312.377 0.953 0 50 DCAA O=C(C[C@H]1COCCN1)NCc1cc(-c2ccccn2)no1 72168373 DNEGBAJFXAWVNP-NSHDSACASA-N 302.334 0.731 0 50 DCAA C[C@H]1OCCN(Cc2nc3ccccc3c(=O)n2C)[C@@H]1C(N)=O 285153880 LCUFJHVZGNMCKV-YGRLFVJLSA-N 316.361 0.008 0 50 DCAA O=C(Cn1ncc2ccccc21)N1CCn2nc(CO)cc2C1 221369136 TXBNLVJRBNBMQA-UHFFFAOYSA-N 311.345 0.768 0 50 DCAA Cn1c(CCCNC(=O)[C@@H]2CCC(=O)N2)nc2ccccc21 222544362 VEZNPBRZJYEBEI-LBPRGKRZSA-N 300.362 0.901 0 50 DCAA 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RXFVAMCBYBPLDY-SECBINFHSA-N 308.300 0.819 0 50 DCAA O=C(NCCc1ccc(Br)s1)[C@@H]1C[C@H](O)CN1 226304594 OGRBSFNZXSUSKX-CBAPKCEASA-N 319.224 0.892 0 50 DCAA CC[C@](C)(CNC(=O)N1CCCN(S(C)(=O)=O)CC1)OC 331907317 FPFLOAHGJTUQOK-CYBMUJFWSA-N 321.443 0.478 0 50 DCAA O=C(NCCc1cnc[nH]1)[C@H]1CC(=O)N(c2nccs2)C1 1857667944 UJKLPUSGSKOYQV-VIFPVBQESA-N 305.363 0.578 0 50 DCAA CN(C)c1nc2c(c(N3C[C@@H](O)[C@H](CC(=O)O)C3)n1)CCCC2 1857710670 JQECSQOORDMVAY-ZWNOBZJWSA-N 320.393 0.693 0 50 DCAA Cn1ccc(C(=O)N2C[C@@H](O)[C@H](Cc3ccccn3)C2)cc1=O 1857711933 JDBBHDXRGKUJIR-UKRRQHHQSA-N 313.357 0.456 0 50 DCAA C[C@@H]1CN2C[C@H](NC(=O)CN(C)Cc3ccncc3)C[C@H]2CO1 1857719940 ZIFGNIJAGJCHDE-BMFZPTHFSA-N 318.421 0.491 0 50 DCAA CO[C@@H]1C[C@@H](C(=O)N2CCC(c3nncn3C)CC2)CC[C@H]1N 1857728383 ZEIUWXKRSVUJTJ-BFHYXJOUSA-N 321.425 0.664 0 50 DCAA CN(CC(=O)O)[C@@H]1CN(C(=O)CCCc2ccccc2)C[C@H]1O 328604137 IPLRGXAXAMJMQI-HUUCEWRRSA-N 320.389 0.597 0 50 DCAA COc1ccc(N(C)C(=O)[C@@H]2Cn3c(C)nnc3CN2C)cn1 644318324 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DCAA Cc1nn(C)c(Cl)c1C(=O)N(C)CCNS(C)(=O)=O 2325728767 NBRRJFLQPUNQFU-UHFFFAOYSA-N 308.791 0.003 0 50 DCAA Cn1nc(CN2C(=O)[C@@H]3CCCN3S2(=O)=O)cc1Cl 2325772579 ADZRQQLWNHADIO-QMMMGPOBSA-N 304.759 0.125 0 50 DCAA NC(=O)[C@H](NC(=O)[C@@H]1CNC(=O)c2ccccc21)c1ccccc1 1455060152 NMWQMQKDZNXVQJ-HUUCEWRRSA-N 323.352 0.856 0 50 DCAA Cc1ccc(C)c(OCC(=O)N[C@H]2CCC(=O)NC2=O)c1C 1857798220 VPWGQDUGWQXZKK-LBPRGKRZSA-N 304.346 0.912 0 50 DCAA Cc1nnc(N2CCC[C@@H]2c2nc(C(=O)NC3CC3)no2)o1 343036099 VEFMYRGMSANUMF-SECBINFHSA-N 304.310 0.995 0 50 DCAA C[C@H](N)[C@@H]1CN(S(=O)(=O)c2cccc3cnccc23)CCO1 225495235 MPYSKNFSJOOQSX-FZMZJTMJSA-N 321.402 0.972 0 50 DCAA CCS(=O)(=O)N1CCC[C@@H](c2nn(C)cc2C(=O)O)C1 818430616 QTUOSZRWHXOCEA-SECBINFHSA-N 301.368 0.647 0 50 DCAA CN(C[C@@H]1C[C@H](F)CN1Cc1nccs1)S(N)(=O)=O 252478156 AENOUEYLCTZLOA-IUCAKERBSA-N 308.404 0.191 0 50 DCAA CCCn1nnnc1CN[C@H]1CCCC[C@H]1n1cc(CO)nn1 328604437 JTWKHSRHZUGMNK-QWHCGFSZSA-N 320.401 0.440 0 50 DCAA Cc1cc(CC(=O)N2CCOC[C@@](O)(CN3CCCC3)C2)on1 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0.200 0 50 DCAA CC[C@H]1CN(C(=O)Cc2nc3nc(C)cc(C)n3n2)CCN1 71615255 SVJSUTBRVSBIHM-LBPRGKRZSA-N 302.382 0.494 0 50 DCAA C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 242167650 WYHIIXVIQALZBS-IRUJWGPZSA-N 315.329 0.314 0 50 DCAA C[C@@H]1CN(CCc2ccnn2C)C[C@H]1C(=O)N1CCOCC1 286235378 PTNHYZSZCNNWSI-UKRRQHHQSA-N 306.410 0.389 0 50 DCAA NC(=O)c1cccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 286416699 RTHTYGZEVLOLBG-ZNMIVQPWSA-N 318.373 0.788 0 50 DCAA C[C@H]1NC(=O)CC[C@@H]1NC(=O)CN1C(=O)Cc2ccccc21 614454648 IJGGGVZUFUOZJM-PWSUYJOCSA-N 301.346 0.359 0 50 DCAA COc1ncccc1C(=O)N1C[C@H](CO)[C@H](CN2CCCC2)C1 91636252 CZOKBYLVUWGFPJ-ZIAGYGMSSA-N 319.405 0.867 0 50 DCAA CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1[nH]cnc1C(=O)O 97604320 CTWMZDVMPHBMHA-JTQLQIEISA-N 310.354 0.291 0 50 DCAA O=C(CN1CCOC1=O)N(Cc1cocn1)Cc1cocn1 95499607 XZPKTZBOCKGVAF-UHFFFAOYSA-N 306.278 0.644 0 50 DCAA O=C1CC[C@H](C(=O)NCC2CCN(c3ccncc3)CC2)N1 93065765 LIQMHXCNEGGVAH-CQSZACIVSA-N 302.378 0.693 0 50 DCAA 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O=C(CN1CCCC[C@@H](O)C1=O)N1CCC(n2ccnc2)CC1 644336443 JNTUABQIPPRBHZ-CQSZACIVSA-N 320.393 0.420 0 50 DCAA C[C@H](C(=O)N1CC[C@H](C(=O)O)[C@@H]2CCCC[C@@H]21)S(C)(=O)=O 659196872 YGXHCNAUGGTYND-RHYQMDGZSA-N 317.407 0.911 0 50 DCAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCCS1(=O)=O 577231214 HDWHCJKMGNDFNH-QWRGUYRKSA-N 319.379 0.046 0 50 DCAA CCCCNC(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 585135174 FOGLNPAGANVPOB-CYBMUJFWSA-N 317.455 0.691 0 50 DCAA CN(C[C@H]1CC(=O)N(C2CCCC2)C1)C(=O)c1ncc[nH]c1=O 1506426938 QNGDDCJTXHFQAT-LLVKDONJSA-N 318.377 0.633 0 50 DCAA COC(=O)[C@@H](CNC(=O)OC(C)(C)C)N1CC[C@@H](CO)C1 225358785 LJZFUCJMVFLCBI-GHMZBOCLSA-N 302.371 0.367 0 50 DCAA CCO[C@H]1COC[C@@H]1Nc1ccc(C(=O)N2CCOCC2)cn1 1704312860 AFBFPRZFJRVRPW-KBPBESRZSA-N 321.377 0.770 0 50 DCAA O=C(c1cc(O)ccc1F)N1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704313616 JSOHWECUKDXSFU-OKILXGFUSA-N 309.249 0.533 0 50 DCAA C[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(F)c(F)cc1N 228712975 LUCQMQJCZLMLMJ-ZETCQYMHSA-N 304.318 0.806 0 50 DCAA CN(C)C[C@@H]1C[C@H](CO)CN(C(=O)C(=O)Nc2ccccc2)C1 216322677 YJBFVNSNGDTXNP-KBPBESRZSA-N 319.405 0.644 0 50 DCAA Cc1nn2ncccc2c1C(=O)N1C[C@H]2CCCN2C(=O)[C@@H]1C 1772709577 OKTIIVFZNDOBMM-NWDGAFQWSA-N 313.361 0.873 0 50 DCAA CN1CC(=O)N2CCN(c3cnc4ccccc4n3)C[C@H]2C1=O 1857667471 VMDIOKFQZAKTCN-ZDUSSCGKSA-N 311.345 0.119 0 50 DCAA CCn1cc(S(=O)(=O)N[C@@H]2C[C@H]3CO[C@@H](C)CN3C2)cn1 1857713538 OXPCZOFJPAHWHD-TUAOUCFPSA-N 314.411 0.043 0 50 DCAA O=C(N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1ccc(Cl)cc1F 1875241450 WSPWVSMYTMLATJ-IRCOFANPSA-N 301.701 0.736 0 50 DCAA O=C(c1cc(C(F)F)[nH]n1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1875247463 MJDCQWGYCPHVDP-RNCFNFMXSA-N 312.276 0.521 0 50 DCAA Cc1ccc(-c2nnn(CC(=O)N3CCC[C@@H]3C(=O)O)n2)cc1 237812129 UTGXBQLUCXDQLV-GFCCVEGCSA-N 315.333 0.724 0 50 DCAA Cc1nc(N(C)C)nc(N2C[C@H]3COC[C@@H](C2)C(=O)N3C)c1C 1704336329 GDDNUUAXEDFRLG-OLZOCXBDSA-N 319.409 0.453 0 50 DCAA CON1CCC(NC(=O)[C@H]2CC(c3cnn(C)c3)=NO2)CC1 1875274441 RVIUYYGZWUDTFF-CYBMUJFWSA-N 307.354 0.055 0 50 DCAA Cc1cc(=O)n2[nH]c(=NCCCO[C@@H]3CCOC3)sc2n1 1875260947 AMSCXFPHLPPRRU-SNVBAGLBSA-N 310.379 0.489 0 50 DCAA C=CC(=O)N1CC(C(=O)NC[C@@H](CO)Cc2ccc(C)cc2)C1 1875387021 KBDUJUNSUDXWEW-HNNXBMFYSA-N 316.401 0.907 0 50 DCAA O=C([C@@H]1CN[C@H]2C[C@H]21)N1CCC([C@]2(O)C[C@@H](C(=O)O)C2)CC1 1875354855 QSTDLSATECVCOE-SXBWXJKFSA-N 308.378 0.059 0 50 DCAA C=CC(=O)N1CC(C(=O)NCCc2cn3cccc(C)c3n2)C1 1875387466 JIFJXGWTUMZXMC-UHFFFAOYSA-N 312.373 0.946 0 50 DCAA C[C@H](NC(=O)N1CCN(c2nncn2C)CC1)c1nccs1 888093932 KGTFDWNSVRSGLH-JTQLQIEISA-N 321.410 0.864 0 50 DCAA COC[C@@H](CC(=O)OC)NC(=O)C1(NC(N)=O)CCCCC1 2325850412 XMZHUXKFULZFRO-SNVBAGLBSA-N 315.370 0.052 0 50 DCAA Cn1c(=O)c2c(nc(S)n2Cc2ccc(F)cc2)n(C)c1=O 100608514 OOQHKGLUNAGTNB-UHFFFAOYSA-N 320.349 0.910 0 50 DCAA COC(=O)C1=NN[C@@]2(C)C(=O)N(c3ccccc3OC)C(=O)[C@@H]12 174484 KTUDKOHEPGQTPA-MEBBXXQBSA-N 317.301 0.076 0 50 DCAA Cc1ccc2c(C)nc(NC3=N[C@H](CC(=O)O)C(=O)N3)nc2c1 261087 IXYGMUZUDQMGLB-LLVKDONJSA-N 313.317 0.988 0 50 DCAA biogenic CCOC(=O)[C@@H](CCCNC(=N)N)NC(=O)c1ccccc1 1529252 YQDHCCVUYCIGSW-GFCCVEGCSA-N 306.366 0.611 0 50 DCAA biogenic,in-vitro CCn1cc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cn1 6698286 LMBVMMWINKNHQS-UHFFFAOYSA-N 322.394 0.204 0 50 DCAA O=C1COCCN1CC(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 225733740 VRNOOUTZRRZFLC-ZIAGYGMSSA-N 322.336 0.319 0 50 DCAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccc2scnc2c1 67850472 JMMDXDJKNNHODO-KOLCDFICSA-N 304.375 0.584 0 50 DCAA Cc1cccnc1C[C@H](C)N(C)C(=O)Cn1nc(O)ccc1=O 67934381 XJBRZVRPYLQLFW-LBPRGKRZSA-N 316.361 0.742 0 50 DCAA C[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1 328644087 RQKWOMTUODWBCJ-MJBXVCDLSA-N 304.394 0.934 0 50 DCAA CN(CC(=O)O)[C@H]1CN(CCOc2ccc(F)cc2)C[C@H]1O 328604715 KZRBARZTGUWYMB-UONOGXRCSA-N 312.341 0.266 0 50 DCAA c1nc(NC[C@H]2CNCCCO2)cc(N2CCSCC2)n1 333641922 IKIVBTVUHUSKJM-GFCCVEGCSA-N 309.439 0.820 0 50 DCAA CN1CC[C@H](NC(=O)N2C[C@@H](CN)[C@H](c3ccccc3)C2)C1=O 333642130 UNHPGCMQKRUSER-ILXRZTDVSA-N 316.405 0.601 0 50 DCAA CCCC(=O)N1CCC[C@H](C(=O)N2CCOC[C@@H]2C(=O)O)C1 262406543 ARYJCMSPOUWRFY-NWDGAFQWSA-N 312.366 0.337 0 50 DCAA COc1cccc(C(=O)N2CCN[C@H](C)C2)c1OCCCN 426424173 ASXZLIVDYHAIDU-GFCCVEGCSA-N 307.394 0.857 0 50 DCAA Cc1nccnc1C(=O)N[C@H]1CCc2c(nc(C)n2CCO)C1 614661991 VWVZMJMCLHRXKH-LBPRGKRZSA-N 315.377 0.570 0 50 DCAA CC(=O)NC(C)(C)C(=O)NCc1ccccc1-n1cncn1 426494681 UOHSDGUQIRFBFX-UHFFFAOYSA-N 301.350 0.798 0 50 DCAA O=C(CC[C@@H]1NC(=O)NC1=O)NCc1cn2ccsc2n1 91604520 KIDMYERBDLHSMI-QMMMGPOBSA-N 307.335 0.000 0 50 DCAA CN(Cc1noc2c1CCCC2)C(=O)CN1C(=O)CNC1=O 91410887 OYBUQFUTKORACM-UHFFFAOYSA-N 306.322 0.064 0 50 DCAA C[C@@H]1CNCCN1S(=O)(=O)c1cccc(S(C)(=O)=O)c1 237460291 OKDYETHOJOFCTO-SNVBAGLBSA-N 318.420 0.073 0 50 DCAA CC(C)(C)c1cc(C(=O)N2CC[C@@](C)(O)[C@@H](O)C2)[nH]c(=O)n1 96162596 GFMJPUZAMBVKKR-XHDPSFHLSA-N 309.366 0.025 0 50 DCAA CC[C@@H](C)[C@H](CO)NC(=O)CCc1nnc2ccc(OC)nn12 252489783 KAJNERURVOJQCN-MNOVXSKESA-N 321.381 0.589 0 50 DCAA CCCc1ncncc1C(=O)N[C@H]1COC[C@@H]1N1CCOCC1 534649810 CFIUHXRYRNMUTB-GJZGRUSLSA-N 320.393 0.259 0 50 DCAA COCCCCN1CCN(C(=O)c2cccn(C)c2=O)CC1 584886765 MKRYUKJBSPLLCA-UHFFFAOYSA-N 307.394 0.570 0 50 DCAA COc1ccc2ncn(C[C@@H]3CN(C)C(=O)CO3)c(=O)c2c1 584891925 RESQVHUKIFKGIF-NSHDSACASA-N 303.318 0.262 0 50 DCAA O=C(N[C@H]1CC[C@@H](O)[C@@H](O)C1)c1ccc(OC(F)F)cn1 1363717803 TVFLCKCOSCTUMB-XROYCOCOSA-N 302.277 0.687 0 50 DCAA CCN1CCN(CC(=O)NCC2(CN3CCCC3)CC2)CC1 952972974 XARBYBQGMKZWSA-UHFFFAOYSA-N 308.470 0.616 0 50 DCAA O=C(Nc1cccnc1)N1CCN(c2cncc3ncnn23)CC1 275638984 KCBLPIQSWVELIJ-UHFFFAOYSA-N 324.348 0.873 0 50 DCAA CC(C)c1nn(C)cc1NC(=O)CN1CCCC[C@@H](O)C1=O 644459738 SXGNNTQHIHELGI-GFCCVEGCSA-N 308.382 0.855 0 50 DCAA Cn1ccnc1[C@H]1CCN(C(=O)NCC(=O)NC2CCCC2)C1 677327183 FAOMQRGWLCZBEO-LBPRGKRZSA-N 319.409 0.978 0 50 DCAA C[C@@H](C(=O)N1CCN(c2nccn2C)CC1)c1ncccn1 1615557635 WHAHQNHFQPXNDZ-GFCCVEGCSA-N 300.366 0.662 0 50 DCAA COC(=O)C1(CS(=O)(=O)N2CC[C@H]3CC[C@@H](O)[C@H]2C3)CC1 1615613677 JISVMZPWURWLGC-IJLUTSLNSA-N 317.407 0.505 0 50 DCAA CCc1nccn1CCC(=O)N(CCO)Cc1cnc(C)[nH]1 1704331680 RXXFPFVEGVQKEK-UHFFFAOYSA-N 305.382 0.888 0 50 DCAA Cn1nccc1C(=O)NCc1cccnc1N1CCOCC1 12582580 XXFISCCBTILAJG-UHFFFAOYSA-N 301.350 0.582 0 50 DCAA CC[C@@H]1NC(=O)[C@H]2CN(C(=O)Nc3ccccc3)CCN2C1=O 14745601 YCWCBDBYUCCXNP-QWHCGFSZSA-N 316.361 0.640 0 50 DCAA Cc1nc(-c2cccc3nn[nH]c23)n([C@@H]2CCS(=O)(=O)C2)n1 1857700000 IDJRQDXNQUYLCC-SECBINFHSA-N 318.362 0.884 0 50 DCAA COCc1noc(CN2C(=O)[C@]3(CCNC3)c3ccccc32)n1 1875247795 OTGUFOUVVSSSRN-INIZCTEOSA-N 314.345 0.994 0 50 DCAA Cc1nc(CN2CCN(C(=O)c3cncc(O)c3)CC2)n[nH]1 330480478 NVDGAPOTOPKBHO-UHFFFAOYSA-N 302.338 0.172 0 50 DCAA C[C@@H]1CNCCN1C(=O)c1cccc(CN2CCOCC2)c1 124725044 YXRVSMJGSNDHSL-CQSZACIVSA-N 303.406 0.953 0 50 DCAA C[C@@H]1CN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)CCN1 237429626 VSXGKCSHJZILSS-CYBMUJFWSA-N 320.418 0.914 0 50 DCAA Cn1cc(Cl)cc1C(=O)N1CC[C@](O)(Cn2ccnn2)C1 671501673 QMSOGINISZKWNA-CYBMUJFWSA-N 309.757 0.547 0 50 DCAA CCS(=O)(=O)NCc1ccc(C(=O)N[C@H](C)C(=O)O)cc1 262875240 YEYURHYGHPOLDW-SECBINFHSA-N 314.363 0.329 0 50 DCAA NC(=O)[C@]12CCOC[C@H]1CN(C(=O)c1cnc(C3CC3)nc1)C2 952850531 NELBTKCCOVQAGS-WBMJQRKESA-N 316.361 0.318 0 50 DCAA CN(C)c1ccc(C(=O)N2CCOC[C@H]2c2nn[nH]n2)cc1 1775987282 NPOFLWVKDUCQBT-LBPRGKRZSA-N 302.338 0.479 0 50 DCAA Cc1ccc(S(=O)(=O)NCCSc2nnnn2C)cc1 1774099 XIJATPBJDDHUIC-UHFFFAOYSA-N 313.408 0.589 0 50 DCAA O=C(c1ccnn1C1CCOCC1)N1CCCNC(=O)C12CC2 2325764380 XTSPYDDCJFUCES-UHFFFAOYSA-N 318.377 0.729 0 50 DCAA Cn1cc(CC(=O)NCC(=O)N2CCCO2)c(C(F)(F)F)n1 2325799700 QSZBWFIJNIJZKZ-UHFFFAOYSA-N 320.271 0.262 0 50 DCAA COC(=O)C1=NN[C@]2(C)C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 4104479 RANOWIOEBUKFBJ-OTYXRUKQSA-N 321.720 0.720 0 50 DCAA CC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(CO)C=C[C@H]3O2)c1 101453067 YQBLFXRVZSTXBF-WBOJAVRRSA-N 313.309 0.695 0 50 DCAA O=C1CCCN1CC(=O)N1CCCC[C@H]1CN1CCOCC1 110952385 TWIMDXCCBLRPOU-AWEZNQCLSA-N 309.410 0.322 0 50 DCAA COCCS(=O)(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 225514546 ZRQYTHSVXXFAPY-QWHCGFSZSA-N 303.355 0.910 0 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O=C1CC[C@@H](NC(=O)CCN2CCCc3ccccc32)C(=O)N1 1875293189 GEMGTTWWMDDLDX-CYBMUJFWSA-N 315.373 0.751 0 50 DCAA CN(C)C/C=C/C(=O)NCCNC(=O)COc1ccccc1 1875375860 QBSLKXDVPZJCJU-RMKNXTFCSA-N 305.378 0.416 0 50 DCAA CO[C@H]1CCN([C@H]2CCC[C@H]2N(C)CCN2CCNC2=O)C1 886078443 RIJGELUQONAJCE-ZNMIVQPWSA-N 310.442 0.585 0 50 DCAA COc1nc(C)cc(NCCc2nnc3n2CCN(C)C3=O)n1 1775276479 IJVOWRKQSHNPHE-UHFFFAOYSA-N 317.353 0.125 0 50 DCAA CO[C@@H]1C[C@@H](COc2cccnc2)N(C(=O)c2cnnn2C)C1 1775957407 SQBLOJKLYXDZOY-WCQYABFASA-N 317.349 0.519 0 50 DCAA OCCN1CCN(C[C@H](O)COc2ccc3c(c2)CCC3)CC1 19957973 NMLCHPNWMKTBSH-KRWDZBQOSA-N 320.433 0.525 0 50 DCAA COc1cc(OC)cc(S(=O)(=O)N2CCNCC23CC3)c1 2325778309 QLWYEKTVCZXIEJ-UHFFFAOYSA-N 312.391 0.830 0 50 DCAA O=C(NC1CCC(NC(=O)[C@@H]2CCCO2)CC1)[C@@H]1CCCO1 376065 NGJSKOHPBMYWQM-HOAMVYINSA-N 310.394 0.888 0 50 DCAA CCOc1cccc(CNC(=O)CN2C[C@@H](OC)C[C@H]2CO)c1 344733698 WYWPROXQFIFJSV-HOCLYGCPSA-N 322.405 0.783 0 50 DCAA C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCC[C@H]1CC(=O)O)CS2 252451038 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Cc1cncc(C(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)c1 333381429 BMKXLNKUMBMOKB-OAHLLOKOSA-N 316.405 0.815 0 50 DCAA CN(C)[C@@H](CNS(=O)(=O)N1C[C@@H]2C[C@H]1CN2)c1ccccc1 1875283803 BZRJLHXTQSNCKL-KKUMJFAQSA-N 324.450 0.170 0 50 DCAA CN1C(=O)C[C@@H](C(=O)N[C@@H](CCO)C(=O)O)c2ccccc21 1875323462 JKEHVQOSJDBRNQ-MNOVXSKESA-N 306.318 0.089 0 50 DCAA Cc1cc(F)ccc1S(=O)(=O)NC[C@]1(O)CCCNC1 534658740 SXSOAHVOXZAHMA-ZDUSSCGKSA-N 302.371 0.527 0 50 DCAA Cc1nc2cc(CNC(=O)[C@@H]3CN(C)CC[C@@H]3O)ccc2n1C 2100482823 BFOBBJLKAOFKSZ-CJNGLKHVSA-N 316.405 0.811 0 50 DCAA O=C1OC[C@H]2CN(C(=O)CN3CCOc4ccccc4C3)C[C@@H]12 2356143125 VXFRTJIJKGRRJL-ZIAGYGMSSA-N 316.357 0.512 0 50 DCAA Cc1cc(C(=O)N2CCC3(CC2)CN(C)CCO3)nc(O)n1 2356165382 GABRETDHVYJIGR-UHFFFAOYSA-N 306.366 0.427 0 50 DCAA Cc1cc(C(F)F)nn1CC(=O)N1C[C@H]2COC[C@@]2(CO)C1 2356170071 TVWACSVKOHYLBR-HZMBPMFUSA-N 315.320 0.596 0 50 DCAA CC(C)OC[C@H](O)CN1CCC(c2ccnn2CCO)CC1 225527621 XMZHCAZEDDWODX-OAHLLOKOSA-N 311.426 0.841 0 50 DCAA CCN1CCC[C@H]1CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 248500732 VEKMBMPOUMPJTB-STQMWFEESA-N 317.455 0.259 0 50 DCAA CN1CCN(C(=O)c2nn(C)c3c2CCCC3)C[C@@H]1C(=O)O 67772214 ISXWRRYYKFEEDW-GFCCVEGCSA-N 306.366 0.140 0 50 DCAA C[C@@H]1CN(C(C)(C)CNC(=O)[C@@H]2CCNC(=O)C2)C[C@@H](C)O1 119230429 OXVCBCGUTDQNRF-JHJVBQTASA-N 311.426 0.517 0 50 DCAA COC(=O)[C@@H]1C[C@H](NC(=O)c2cccc3c2OCCO3)CN1C 65456783 LNNJONGKNCUKMO-JQWIXIFHSA-N 320.345 0.433 0 50 DCAA C[C@H]1CN([C@H](C)CNC(=O)N[C@@H](C)c2nncn2C)C[C@@H](C)O1 229814578 KIUMMGJDGMFOEX-NDBYEHHHSA-N 324.429 0.673 0 50 DCAA CC(C)(C)c1cc(CN2CCN(S(N)(=O)=O)CC2)[nH]n1 215763257 WXBDGGIVEZMZKK-UHFFFAOYSA-N 301.416 0.028 0 50 DCAA CO[C@H](C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)C1CC1 329898799 FBQKMIKBPLDUHP-STQMWFEESA-N 316.423 0.438 0 50 DCAA O=C1CSCN1CC(=O)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 282521958 LXFDBAHLXRYWAR-CHWSQXEVSA-N 324.377 0.993 0 50 DCAA O=C(CCn1cncn1)N[C@@H]1CCOC[C@H]1Oc1ccccn1 219610355 AHYRQARBSGFNKP-CHWSQXEVSA-N 317.349 0.416 0 50 DCAA C[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCOCC3)C2)C1 368415101 YHVQOXWWEYAKRS-KBPBESRZSA-N 309.410 0.178 0 50 DCAA O=C(c1ncccc1O)N1CCCO[C@@H](Cn2cccn2)C1 215107580 RPHJKXMGCPFOIB-GFCCVEGCSA-N 302.334 0.915 0 50 DCAA CCOCC[C@@H](O)CN1C(=O)NC2(CCSCC2)C1=O 373132332 JUHIVILJBFXCLF-SNVBAGLBSA-N 302.396 0.592 0 50 DCAA COCCCN1CC[C@H](Cn2cnc3cn(C)nc3c2=O)C1 72158062 CWIRXWXRIZWRFC-LBPRGKRZSA-N 305.382 0.488 0 50 DCAA CN(C)[C@@H]1CCN(CC(=O)N2CCC(c3ncn[nH]3)CC2)C1 221193552 YGPJIWCKQGMRML-CYBMUJFWSA-N 306.414 0.147 0 50 DCAA O=C(NC1CC1)N[C@H]1CCN(C(=O)c2ccc(CO)cc2)C1 613521827 UDEQGGDXIGJWEH-AWEZNQCLSA-N 303.362 0.855 0 50 DCAA CN(C)C(=O)c1cncc(N2CCC3(CC2)OCCC[C@H]3O)n1 91574426 DMSCGILYMDJIHD-CYBMUJFWSA-N 320.393 0.689 0 50 DCAA CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)CO)CN1Cc1ccoc1 95524777 RMDMPPXUTGXLLM-KGLIPLIRSA-N 323.393 0.199 0 50 DCAA CC(C)c1nc(CN(C)C(=O)CC[C@@H]2NC(=O)NC2=O)no1 91535105 KOECBMFJPKRNDO-QMMMGPOBSA-N 309.326 0.140 0 50 DCAA C[C@@]1(O)CCN(C(=O)c2ccc(CN3CCCC3)o2)C[C@@H]1O 96133354 HXHHBVXTNQVOKG-GOEBONIOSA-N 308.378 0.833 0 50 DCAA CNC(=O)[C@@H]1CCN(C(=O)c2cc(C)ccc2-n2cnnc2)C1 622725748 JEDKITWKVMNMPY-GFCCVEGCSA-N 313.361 0.784 0 50 DCAA Cc1nc(CCN2CCN(c3cc(O)nc(N)n3)CC2)cs1 253536776 OGOWKFHTHLGDQR-UHFFFAOYSA-N 320.422 0.894 0 50 DCAA C[C@H]1CN(S(=O)(=O)N(C)C2CCC(N)CC2)[C@H](C)CO1 299739130 KWKZDPWIWPGWPK-IALDZJHCSA-N 305.444 0.542 0 50 DCAA C[C@@H]1C[C@H](C(=O)O)CN(c2cc(N3CCC[C@H]3CO)ncn2)C1 263287822 YGNOZKWULSTJEH-AGIUHOORSA-N 320.393 0.985 0 50 DCAA Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@@H]2C=CCN2)cc1 827785156 GFOBDEIQUNXQSR-AWEZNQCLSA-N 323.418 0.308 0 50 DCAA COC(=O)N[C@H](C)c1nc(CC(N)=O)nn1-c1cc(C)ccn1 824155865 GSDGQCGFNDKASK-SECBINFHSA-N 318.337 0.416 0 50 DCAA CN(CCN1CCOCC1)C(=O)Cn1nc2ccccc2n1 584894389 KIQAVKUFYNZLNS-UHFFFAOYSA-N 303.366 0.222 0 50 DCAA NC(=O)C1(NC(=O)Cn2nc3ccccc3n2)CCCCC1 670440169 WHMHRGGTBVHGMH-UHFFFAOYSA-N 301.350 0.736 0 50 DCAA COCCN(C)CC(=O)N1CCC[C@H](CN2CCCC2=O)C1 584889573 YSTKSNYMKHRPRB-CQSZACIVSA-N 311.426 0.426 0 50 DCAA COc1cc(=O)n2c(c1C(=O)NCCN(C)C)CCCCC2 583648823 WHSLTIFVUXDZJW-UHFFFAOYSA-N 307.394 0.875 0 50 DCAA CC(=O)c1cccc(C(=O)N[C@H]2CCN(C(C)=O)C[C@@H]2O)c1 1565511245 HNLJSXUABQBEAY-GJZGRUSLSA-N 304.346 0.601 0 50 DCAA Cc1[nH]nc2ncc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)cc12 193467415 ASWKSVOZWLXLMO-CYBMUJFWSA-N 308.363 0.573 0 50 DCAA O=C(c1ccn(C2CCCC2)n1)N1CC[C@](O)(c2cnn[nH]2)C1 583618787 KOULVXLUBYSFNF-OAHLLOKOSA-N 316.365 0.850 0 50 DCAA Cn1ccc(=NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1O 585124969 BLXJCBIBIAGVBA-SNVBAGLBSA-N 322.365 0.810 0 50 DCAA CNC(=O)[C@H]1CC[C@H](CNc2cc(NCCO)ncn2)CC1 1506418893 KQYVLGMYWWUZGG-HAQNSBGRSA-N 307.398 0.845 0 50 DCAA CC(=O)N1CCN(Cc2cccc(O)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 212925321 GEFJUOMZFUSYEL-CABCVRRESA-N 324.402 0.222 0 50 DCAA O=C(c1ccc(Cn2cccn2)o1)N1CC[C@@H](CO)[C@@H](O)C1 215299334 JXMFDWVQLIFGDZ-AAEUAGOBSA-N 305.334 0.340 0 50 DCAA Cc1ccsc1S(=O)(=O)N1CCCN(CCO)CC1 331666799 RETUSHZTOJSOPD-UHFFFAOYSA-N 304.437 0.745 0 50 DCAA O=C(O)c1ccc(N2C(=O)C[C@@H](SC3=NCCN3)C2=O)cc1 5569556 CAGWOHVYYJHHCQ-SNVBAGLBSA-N 319.342 0.709 0 50 DCAA CC1(C)O[C@@H]2[C@H](CO)O[C@@H](n3cnc4c(S)ncnc43)[C@@H]2O1 13152614 HXZCOKXEDYVENB-YLJFRXORSA-N 324.362 0.525 0 50 DCAA COc1ccc([C@H]2C[C@@H]2C(=O)N2CCO[C@H](C(N)=O)C2)cc1 1857527835 MNLGNLMVJYYNTF-RDBSUJKOSA-N 304.346 0.511 0 50 DCAA COCCn1nc2c(c1C(=O)N1CC(O)C1)C[C@@H](C)O[C@H]2C 1857528256 JCCQOLOTJUYBHR-ZJUUUORDSA-N 309.366 0.368 0 50 DCAA COc1ccccc1CC(=O)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857717430 RRRGAMJUUMEWHY-PBHICJAKSA-N 316.357 0.797 0 50 DCAA COCCn1nnc([C@H]2CN(C3CCSCC3)CCO2)n1 1857718952 BJNONCURCYPIPH-GFCCVEGCSA-N 313.427 0.588 0 50 DCAA CN(C)S(=O)(=O)n1cnc(I)c1 2577858 HSJHNZMKMJPPGU-UHFFFAOYSA-N 301.109 0.142 0 50 DCAA in-vitro C[C@@H]1CN(C(=O)CN2CCc3ncncc3C2)CC(C)(C)O1 931706261 FJJMGEIIXDTSEO-GFCCVEGCSA-N 304.394 0.861 0 50 DCAA COCCN1CN(C(=O)[C@]2(c3ccccc3)CCCO2)CC1=O 935858460 FDEXWAOGJQSTBR-QGZVFWFLSA-N 318.373 0.967 0 50 DCAA C=CC(=O)N(C)CC(=O)N1CC[C@](C(=O)NC)(C(F)(F)F)C1 862114064 CHGKDVUDPMDUQV-LBPRGKRZSA-N 321.299 0.158 0 50 DCAA Cc1cc(S(=O)(=O)NC[C@H](O)CC(=O)O)c(F)cc1F 864092283 OJFPLDYGFYAKAU-SSDOTTSWSA-N 309.290 0.387 0 50 DCAA Cn1ccc(Cn2c(=O)c(C(F)(F)F)cn(C)c2=O)cc1=O 1875282236 SZQSHRZOFIUMAW-UHFFFAOYSA-N 315.251 0.313 0 50 DCAA COC(=O)/C=C/CNC(=O)C[C@@H]1Oc2ccccc2NC1=O 1875273457 ZBXSNQQASXSNLR-NTYUQYKDSA-N 304.302 0.622 0 50 DCAA Cc1cc(-c2cn(CC(=O)NC[C@@H]3CCCNC3)nn2)ccn1 1875319770 RCBYPTFKDWHRDE-CYBMUJFWSA-N 314.393 0.764 0 50 DCAA C=CC(=O)NC[C@@H](C)N(C)C(=O)Cn1cc([C@@H]2CCOC2)cn1 1875389238 HKTNEVPLRYNLOO-CHWSQXEVSA-N 320.393 0.536 0 50 DCAA O=C(Nc1ccc(N2CCNCC2)cn1)C12CCN(CC1)C2 1775430250 IZYHSADTFVEKRW-UHFFFAOYSA-N 301.394 0.526 0 50 DCAA O=S(=O)([C@@H]1C[C@H]1c1ccccc1)N1CC[C@@H](c2nn[nH]n2)C1 1775987430 VVIGPAHWRLPKAB-FRRDWIJNSA-N 319.390 0.875 0 50 DCAA CC(=O)Nc1nonc1NC(=O)CSc1nnc(N)s1 3624361 HNIGDWIGKGXYBS-UHFFFAOYSA-N 315.340 0.193 0 50 DCAA CO[C@H]1CN(C)C[C@@H]1NS(=O)(=O)c1ccc(F)cc1C 534664765 HKXFSUXKPAIYOW-RYUDHWBXSA-N 302.371 0.741 0 50 DCAA CN1CCC[C@@H](CNC(=O)c2n[nH]c3ccccc3c2=O)C1 111618292 TVSFLLIAEJGOQH-NSHDSACASA-N 300.362 0.995 0 50 DCAA CCN(C)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1F 55255005 RUEUZDJBOKMIMI-CQSZACIVSA-N 307.369 0.995 0 50 DCAA CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccc2[nH]cnc2c1 67784819 KKWCCQGGYUNFJS-GWCFXTLKSA-N 301.350 0.241 0 50 DCAA O=C(C[C@@H]1NC(=O)NC1=O)NCc1ccccc1-n1cccn1 67359650 NEIBSSQNUHXJTP-NSHDSACASA-N 313.317 0.087 0 50 DCAA Cn1ccnc1CN1CC[C@@H](CNC(=O)c2ccc(N)nc2)C1 67982340 HHIMGXDBCWELJG-LBPRGKRZSA-N 314.393 0.649 0 50 DCAA Cc1noc(C)c1[C@@H]1CCCN1C(=O)Cn1nc(O)ccc1=O 67955020 APPAPTHGTAJKHK-NSHDSACASA-N 318.333 0.917 0 50 DCAA CCN1C[C@@H](NC(=O)c2cnc3ccccn3c2=O)CC1=O 20858132 XISXNKCAQLZGCK-JTQLQIEISA-N 300.318 0.045 0 50 DCAA Cn1ncc2c(O)nc(N3CCC(c4cc(N)n[nH]4)CC3)nc21 329124121 SCTIPRNDRNZIAF-UHFFFAOYSA-N 314.353 0.758 0 50 DCAA CCN1CCC[C@H]1[C@H]1CCCN1C(=O)CS(=O)(=O)CC 253490440 IRUZDODHHQGWPC-QWHCGFSZSA-N 302.440 0.896 0 50 DCAA CCN(C(=O)c1ccc2[nH]c(=O)n(C)c2c1)[C@H]1CCNC1=O 282099524 FUBQWPHLRFEWTJ-NSHDSACASA-N 302.334 0.217 0 50 DCAA COCCNCC(=O)N1CCC[C@@H]1CN1C[C@H](C)O[C@H](C)C1 237148686 QCDOSVCVIOMDSG-QLFBSQMISA-N 313.442 0.323 0 50 DCAA COc1ccccc1-n1cc(C(=O)N(C)C[C@@H](O)CO)cn1 216414694 UHGMQTRCEYSHER-GFCCVEGCSA-N 305.334 0.306 0 50 DCAA O=C(O)c1cc(F)cc(S(=O)(=O)N2CCO[C@H]3C[C@@H]32)c1 368361372 BZDJRURCVLOTAS-QWRGUYRKSA-N 301.295 0.686 0 50 DCAA CCn1nc(C)cc1C(=O)N1CCC2(CC1)CN(C)C(=O)CO2 216992317 UOLXGOVWACILSR-UHFFFAOYSA-N 320.393 0.675 0 50 DCAA O=C(N1CCN2CCOC[C@@H]2C1)C(F)(F)C1(O)CCCC1 376158751 WMVKHNAGDOWAKE-NSHDSACASA-N 304.337 0.470 0 50 DCAA O=C(CN1CCOC1=O)N1CCC(CCn2cccn2)CC1 82127692 PBFBYJKROVDSDL-UHFFFAOYSA-N 306.366 0.964 0 50 DCAA O=C(NCCc1cnc[nH]1)N1CCC2(CC1)OCCC[C@H]2O 426517984 UKGMPAMVOMKLKT-CYBMUJFWSA-N 308.382 0.668 0 50 DCAA CCO[C@H]1C[C@@H](O)C12CCN(C(=O)C(=O)c1cccn1C)CC2 91475185 XTNTXHUTFUYJGD-KGLIPLIRSA-N 320.389 0.986 0 50 DCAA CC[C@@H](C(=O)NCc1nc(-c2ncccn2)no1)n1cccn1 91493125 RJZRJNMQRNHAQC-JTQLQIEISA-N 313.321 0.991 0 50 DCAA O=C(Cn1cnnc1)N1C[C@H](CO)[C@H](CN2CCCCCC2)C1 92021680 BLCALELSBJAMRX-HUUCEWRRSA-N 321.425 0.221 0 50 DCAA CO[C@H]1CCCN(S(=O)(=O)c2ccc(O)c(C(=O)O)c2)C1 230233584 GAWMRHFSMKHFJZ-VIFPVBQESA-N 315.347 0.890 0 50 DCAA CCO[C@H](C)C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)O 230067566 IOXOCYGMTXMOFK-LEQIOUOKSA-N 316.379 0.043 0 50 DCAA Cn1c(Cn2ccnc2)nnc1C1CCN(S(C)(=O)=O)CC1 91325320 CURYVZCDTNHANU-UHFFFAOYSA-N 324.410 0.199 0 50 DCAA O=C(c1cccnc1C(F)(F)F)N1CCS(=O)(=O)CC1 179491787 LZGKZEDJAXENML-UHFFFAOYSA-N 308.281 0.971 0 50 DCAA CCc1ccccc1OC1CN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 95390844 VLWAREHHVBPWMV-ZDUSSCGKSA-N 303.362 0.862 0 50 DCAA O=C(N[C@@H](C1CCNCC1)[C@H]1C[C@H](O)C1)c1ccc(O)cn1 252527468 CPVHIHLMXPMGMB-WHOFXGATSA-N 305.378 0.656 0 50 DCAA CO[C@@]12CC[C@H](O)C[C@@H]1N(C(=O)CCc1cnn(C)c1)CC2 299778925 PVRGFINAYMVOJV-OFQRWUPVSA-N 307.394 0.884 0 50 DCAA Cc1cc(-c2cccc(C(=O)NCCOCCO)c2)nc(N)n1 299782627 YBWJOTLXHMIQPY-UHFFFAOYSA-N 316.361 0.773 0 50 DCAA CCO[C@H]1CN(C)C[C@@H]1NC(=O)c1ccc(C(C)C)n(C)c1=O 299784602 OKBBOTUQQFRTPX-ZFWWWQNUSA-N 321.421 0.958 0 50 DCAA CN(Cc1nncn1C)C(=O)c1nn(C)c(=O)c2ccccc12 584893916 URXQDNQBEVDPIY-UHFFFAOYSA-N 312.333 0.334 0 50 DCAA Cc1n[nH]c(C)c1CN1C[C@@H](CC(=O)O)[C@@H](c2cn(C)nn2)C1 1565525428 AZLSLRXIJOCWPU-YPMHNXCESA-N 318.381 0.845 0 50 DCAA CCOc1ncccc1C(=O)N[C@H]1CCOC[C@@H]1OCC(=O)O 1565516709 BVMYYOZXXGIMCP-RYUDHWBXSA-N 324.333 0.469 0 50 DCAA CN(CC(N)=O)C[C@H]1CN(C/C=C/c2ccccc2)CCO1 275799491 SSJBFFYXIHRKCQ-WHWKNOJMSA-N 303.406 0.818 0 50 DCAA COc1ccc(-n2nnnc2SCc2nnn(C)n2)cc1 170617558 RECLPZCPPLALAE-UHFFFAOYSA-N 304.339 0.487 0 50 DCAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCC[C@@](O)(CO)C1 408520227 WCXYUGQLIFDFMD-ABAIWWIYSA-N 314.382 0.342 0 50 DCAA COc1cc(C(=O)O)ccc1S(=O)(=O)NC[C@H](C)N(C)C 223698987 KSMJJDOANDUUAW-VIFPVBQESA-N 316.379 0.622 0 50 DCAA COC[C@]1(C(N)=O)CCCN1C(=O)Cn1cc2ccccc2n1 643941612 KSLXUMWAUMWLII-INIZCTEOSA-N 316.361 0.529 0 50 DCAA COCc1cccc(C(=O)N2CCC[C@@]2(COC)C(N)=O)c1 643944926 RHUWTQGYZUTFOF-MRXNPFEDSA-N 306.362 0.940 0 50 DCAA CCc1nncn1CCNC(=O)N1CC[C@]2(CCN(C)C2)C1 579425196 DNHRCPQUDOIKOM-HNNXBMFYSA-N 306.414 0.578 0 50 DCAA CCC[C@H]1COC[C@H]2CN(C(=O)c3cc(C)nc(N)n3)CCN12 1529159719 YAXAEJSEVGMOTH-QWHCGFSZSA-N 319.409 0.693 0 50 DCAA CCc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](Cc3cnccn3)C2)c1C 1704297319 MGUAZFNAZKVNAI-BXUZGUMPSA-N 315.377 0.746 0 50 DCAA O=C(Cn1cccn1)N1CC[C@H]2[C@H](CCC(=O)N2CCCO)C1 216982802 PHFKAYHIQCPEIR-KGLIPLIRSA-N 320.393 0.105 0 50 DCAA N[C@H]1CC[C@@H](C(=O)N2CCCN(C(=O)C(F)(F)F)CC2)C1 722602959 DMWCLPGHZXCRSH-ZJUUUORDSA-N 307.316 0.737 0 50 DCAA O=C(c1ccccc1-c1nn[nH]n1)N1CCC([C@H](O)CO)CC1 1772813182 VADKBLRZIIIWRT-CYBMUJFWSA-N 317.349 0.072 0 50 DCAA CN(CC(=O)N1CCOC[C@H](C(=O)O)C1)Cc1ccncc1 1775984053 YHGREQWAAQZSOL-CYBMUJFWSA-N 307.350 0.073 0 50 DCAA CN1CCN(C(=O)c2nnc(-c3ccccc3)o2)C[C@@H]1CO 1857533046 ORGSIGVUNXOLQC-GFCCVEGCSA-N 302.334 0.485 0 50 DCAA O=C1C[C@H]2CN(C(=O)c3csc(-c4ncccn4)n3)C[C@H]2N1 1857673422 IQMLBYHSXVNZPD-DTWKUNHWSA-N 315.358 0.561 0 50 DCAA N[C@H]1C[C@H](c2nc(-c3ccccc3)nn2CCCO)C[C@@H]1O 1857733797 YWYBVFDFHWXHRP-IHRRRGAJSA-N 302.378 0.893 0 50 DCAA CC(C)(C)S(=O)(=O)CC(=O)N1CCC[C@]2(CNC(=O)C2)C1 408064235 UGJKABSOESCJFF-AWEZNQCLSA-N 316.423 0.328 0 50 DCAA Cn1nnc(CS(=O)(=O)c2cccc(Br)c2)n1 408519032 TUBUGFUGJRCRIT-UHFFFAOYSA-N 317.168 0.947 0 50 DCAA Cc1ccc(F)cc1S(=O)(=O)N1CC[C@H](O)[C@@H](C(=O)O)C1 1704325225 GLSZNZWONIKINX-QWRGUYRKSA-N 317.338 0.590 0 50 DCAA O=S1(=O)CCN(Cc2ccc3nonc3c2)[C@H](CCO)C1 932313731 ZYPKJEFPIKCUHQ-LLVKDONJSA-N 311.363 0.204 0 50 DCAA Cc1cc(C)n(CC(=O)NC[C@H](C(=O)O)C2CCOCC2)n1 864145710 PWKJYUOKYJEVCJ-ZDUSSCGKSA-N 309.366 0.744 0 50 DCAA CN1CC(N2C[C@@H](C(=O)Nc3nccn3C3CC3)CC2=O)C1 952887378 BFCWXTRDIBDSBZ-JTQLQIEISA-N 303.366 0.319 0 50 DCAA CN1C(=O)C[C@H](C(=O)NO[C@H]2CCOC2)[C@H]1c1cccnc1 1875259440 QQEKCGCALUWUTF-SGMGOOAPSA-N 305.334 0.438 0 50 DCAA 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72172943 USOKCYSFLWTACJ-CYBMUJFWSA-N 301.350 0.799 0 50 DCAA CNc1ccc(C(=O)N2CCC[C@@H]2c2nc(N(C)C)no2)cn1 370576332 RLBAHVCMOTVGJE-LLVKDONJSA-N 316.365 1.550 0 50 DCAA COC[C@](C)(CC(=O)O)NC(=O)[C@H]1COc2ccccc2O1 262147034 SUNFFQGFEIXUAB-DOMZBBRYSA-N 309.318 0.822 0 50 DCAA Cn1cnnc1[C@H]1CCCN(Cc2cc3n(n2)CCCNC3)C1 72119535 SDSLUHQCZRDFBL-ZDUSSCGKSA-N 315.425 0.885 0 50 DCAA Cc1n[nH]c(SCC(=O)NCCCn2nc(C)nc2C)n1 220199203 HAEOFKHEVZDPBD-UHFFFAOYSA-N 309.399 0.620 0 50 DCAA NC(=O)[C@H]1CCCN1C(=O)CCn1cnc2ccccc2c1=O 47640679 ZDAOJCLTPSJLFP-CYBMUJFWSA-N 314.345 0.263 0 50 DCAA biogenic CCOCC(=O)N1CCC(C(=O)N(C)CCc2ncon2)CC1 426387274 LQAUBOXCHBBSDS-UHFFFAOYSA-N 324.381 0.346 0 50 DCAA Cn1ccnc1CN1CCN([C@H](C(=O)O)c2ccoc2)CC1 95353412 NETGVGVYOVLVII-AWEZNQCLSA-N 304.350 0.957 0 50 DCAA NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 247754970 VTWDQMNVQNEMNN-LSDHHAIUSA-N 314.389 0.823 0 50 DCAA Cn1cc(Br)cc1C(=O)N[C@@]1(CO)CCOC1 182892800 BLKJBYWNWSUJJQ-LLVKDONJSA-N 303.156 0.669 0 50 DCAA CCCn1ccnc1CNS(=O)(=O)N1CCC[C@H]1COC 534636759 VCIKOFXQHBQHES-LBPRGKRZSA-N 316.427 0.738 0 50 DCAA Cc1noc([C@H]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)C2)n1 299782778 DUYBBAAHVLQXSD-VIFPVBQESA-N 321.337 0.024 0 50 DCAA O=C1CN(CCn2cnnc2)CCN1Cc1ccccc1F 670456839 WBAOPQWKWDIYOF-UHFFFAOYSA-N 303.341 0.762 0 50 DCAA COC(=O)c1ccc2c(c1)CC[C@H](NC(=O)[C@H](C)O)C(=O)N2 1412715163 FMDRLTYYXUBECZ-UFBFGSQYSA-N 306.318 0.224 0 50 DCAA Cn1ccnc1C(=O)NC[C@@H](c1cccnc1)N1CCOCC1 952966045 DAERSSQLOPBVJG-AWEZNQCLSA-N 315.377 0.618 0 50 DCAA Cc1nn(CC(=O)N2CCC[C@H](C[C@@H]3CCOC3)C2)c(=O)o1 640067163 YMYOHFIGHSFQRO-OLZOCXBDSA-N 309.366 0.810 0 50 DCAA CC[C@H]1C[C@@H](CC(=O)NS(=O)(=O)c2ccnn2C)CCO1 408476247 KKQDRUZTQJRMSJ-QWRGUYRKSA-N 315.395 0.820 0 50 DCAA NS(=O)(=O)[C@@H]1Cc2ccccc2N(C[C@H](O)C(F)(F)F)C1 408522523 ATGFLKUELUTHAV-KOLCDFICSA-N 324.324 0.629 0 50 DCAA C=CC(=O)NCCC(=O)N1CSC[C@H]1C(=O)N(C)C1CC1 269418963 HDQWWDPMVBYKKN-NSHDSACASA-N 311.407 0.201 0 50 DCAA CCc1nc(C)c(CNC(=O)CN2CCCC[C@H](O)C2=O)o1 644486449 AFXBHIWJCGEQGP-NSHDSACASA-N 309.366 0.535 0 50 DCAA O=C(O)Cn1cc(NC(=O)c2ccc(N3CCCC3)nn2)cn1 647744378 BPCYXPRWBODRQJ-UHFFFAOYSA-N 316.321 0.610 0 50 DCAA CN(C)C(=O)c1cccc(N2C[C@H](O)[C@@H](N3CCCC3)C2)n1 1506401486 FGHVSGQDBHTXBH-KBPBESRZSA-N 304.394 0.429 0 50 DCAA OC[C@H]1O[C@@H](Oc2cccc3ccccc23)[C@@H](O)[C@H](O)[C@H]1O 110994240 CVAOQMBKGUKOIZ-DGADGQDISA-N 306.314 0.019 0 50 DCAA O=C(NC1CNC1)[C@@H]1CCc2sc(N3CCOCC3)nc2C1 1772806663 HQUCQYXVQGTAGY-SNVBAGLBSA-N 322.434 0.173 0 50 DCAA CC[C@@H]1NC(=O)[C@@H]2C[C@H](NCc3cccc(F)c3)CN2C1=O 14749927 XIBMDAKTCKPPML-IHRRRGAJSA-N 305.353 0.793 0 50 DCAA COc1cccnc1CN1CCC2(CC1)CC(=O)NCCO2 1857703539 USAYMLVMEATNDM-UHFFFAOYSA-N 305.378 0.961 0 50 DCAA Cc1cc(N[C@H]2CCCC[C@H]2NS(C)(=O)=O)n2ncnc2n1 408240701 FHWCFJZFZQCQNK-WDEREUQCSA-N 324.410 0.705 0 50 DCAA CN(C(=O)CN1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1)C1CC1 408467509 LFMIDPODHYZJRO-DZGCQCFKSA-N 309.410 0.210 0 50 DCAA CC[C@@]1(C)COCCN1C(=O)c1cn(CC(=O)N(C)C)nn1 330621968 CAQUNOKSSAGWTG-AWEZNQCLSA-N 309.370 0.007 0 50 DCAA COC[C@]1(C(N)=O)CCCN1CC(=O)NCc1ccccc1F 643826648 RNHIETHLQFVRER-INIZCTEOSA-N 323.368 0.408 0 50 DCAA O=C(CN1CCCC[C@H](O)C1=O)N1CCC(OCC2CC2)CC1 644374669 HAULXWOVGKOSOJ-HNNXBMFYSA-N 324.421 0.777 0 50 DCAA Nc1nccnc1C(=O)NC1CCN(C[C@@H]2CCOC2)CC1 136850830 AWLAUKSQWVMGHB-NSHDSACASA-N 305.382 0.290 0 50 DCAA Cc1nccn1CCC(=O)N1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 1704302702 CAWWDVBWCKPMBF-NVXWUHKLSA-N 320.437 0.887 0 50 DCAA NC(=O)CN(C(=O)C(F)(F)c1nccs1)C1CCOCC1 921729963 XXQYATGAODAUOF-UHFFFAOYSA-N 319.333 0.728 0 50 DCAA C=CC(=O)N(C)CC(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 860008471 ZBCLFRWTEKCVIH-LLVKDONJSA-N 305.382 0.477 0 50 DCAA COc1cccc(OCCN2CCN3CCOC[C@]3(CO)C2)c1 952991608 BQTICPXHBRKTLY-QGZVFWFLSA-N 322.405 0.453 0 50 DCAA CCn1cc([C@@H]2OCC[C@H]2C(=O)NC/C=C/C(=O)OC)cn1 1875273019 VPNDULRNFJJTLY-JUGZCIIYSA-N 307.350 0.826 0 50 DCAA C[C@@H]1c2c[nH]nc2CC[C@@H]1C(=O)N1CC(O)(c2cc[nH]n2)C1 1875295593 KOJODPAXPKLEPY-UWVGGRQHSA-N 301.350 0.529 0 50 DCAA COc1cc(C(N)=O)ccc1NC(=O)c1cc(CCN)on1 1875337173 PLXKKUFYCVUTJB-UHFFFAOYSA-N 304.306 0.536 0 50 DCAA O[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1N=c1ccc2ncc[nH]c-2n1 1875399503 YDNJZEWYLZTUGW-IACUBPJLSA-N 310.361 0.846 0 50 DCAA O=C(c1cccc(F)c1)N1CCN([C@]2(C(=O)O)CCOC2)CC1 886096886 MYGWQKRTZSSJHI-MRXNPFEDSA-N 322.336 0.827 0 50 DCAA Cc1cc(C(=O)N2CCN([C@]3(C(N)=O)CCOC3)CC2)c(C)o1 888078361 LRQDEWQUFNQPFQ-MRXNPFEDSA-N 321.377 0.299 0 50 DCAA COCc1nccc(N2CCN(CC(F)(F)F)C(=O)C2)n1 893842536 SYXWVAVNOBNWIN-UHFFFAOYSA-N 304.272 0.834 0 50 DCAA CN(C)C[C@]1(O)CCCN(c2nc(Cl)nc3[nH]cnc23)C1 894466104 XSOUPSPHTHTZTI-CYBMUJFWSA-N 310.789 0.899 0 50 DCAA CNS(=O)(=O)[C@@H]1CCN(C(=O)COCc2ccccc2)C1 366740609 MKMMQRMVALGKHJ-CYBMUJFWSA-N 312.391 0.353 0 50 DCAA Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1C[C@@H]1CCCO1 2364112 NBGNUBRVDRUSEG-JTQLQIEISA-N 317.349 0.472 0 50 DCAA CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H](O)C2 3197739 WTQYWNWRJNXDEG-RBZJEDDUSA-N 305.374 0.902 0 50 DCAA biogenic,investigational CC(C)NC(=O)[C@@H]1C[C@H](N)CN1C(=O)CCc1cccnc1 67727106 DENHEINATKKUSO-KBPBESRZSA-N 304.394 0.467 0 50 DCAA O=C(C[C@H]1NC(=O)N(Cc2ccco2)C1=O)NCc1ccco1 409413166 BXGIPQNVBSIGSW-GFCCVEGCSA-N 317.301 1.000 0 50 DCAA O=C(CC[C@@H]1NC(=O)NC1=O)NCCSc1ccccc1 32748203 WROCUJNHVUVART-NSHDSACASA-N 307.375 0.883 0 50 DCAA C[C@@H](CNC(=O)c1cnn(CC(F)(F)F)c1)N1CCOCC1 252523244 CEILQXZROKRXQU-JTQLQIEISA-N 320.315 0.896 0 50 DCAA CCn1cc(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)c(C)n1 2537685 VJFZGFNBNLBZLA-JTQLQIEISA-N 301.368 0.697 0 50 DCAA Cn1cc([C@@H](O)C(=O)N2CCC[C@H](CN3CCOCC3)C2)cn1 253404953 WMMXNLWBPGIQIB-UKRRQHHQSA-N 322.409 0.024 0 50 DCAA CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CCn1ccnc1 330519151 YXHMJTZXRHSZFW-LBPRGKRZSA-N 314.411 0.204 0 50 DCAA CCCC(=O)C(=O)NC[C@@H]1CCN(c2cnn(C)c(=O)c2)C1 72120989 WMLLCYXBBWKLRF-NSHDSACASA-N 306.366 0.092 0 50 DCAA CCNc1nc(C(=O)NC[C@H]2CCCCN2CCO)cs1 452391834 QMOOTJFZQKWQCS-LLVKDONJSA-N 312.439 1.152 0 50 DCAA COCCn1ccnc1CN1CCN(c2ncccn2)CC1 215670242 JXVDFMWCIBMXHM-UHFFFAOYSA-N 302.382 0.642 0 50 DCAA CN(C)C[C@@]1(O)CCCN(CC(=O)NCc2ccco2)CC1 72135347 RLOHRHQJPSAQDD-MRXNPFEDSA-N 309.410 0.674 0 50 DCAA C[C@@H]1CN(C(=O)Cc2csc(-c3cnccn3)n2)CCN1 237598378 CAPYSWCPDQOGJN-SNVBAGLBSA-N 303.391 0.963 0 50 DCAA COC(=O)CNC(=O)Cn1nc(-c2ccccc2)ccc1=O 48402182 VGNYXURSERMLOB-UHFFFAOYSA-N 301.302 0.200 0 50 DCAA O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1cn[nH]c1 222489126 LYZJBGDGYWNWPC-VXGBXAGGSA-N 308.363 0.970 0 50 DCAA C[C@@H](C(=O)N(C)C)N1CC(S(=O)(=O)NC2CCCC2)C1 242292510 YMWNKKSTMOKCEJ-JTQLQIEISA-N 303.428 0.009 0 50 DCAA CCn1c(O)nc2cc(C(=O)N3CCC[C@@](O)(CO)C3)ccc21 616211923 JPHSIZPFNQCIFN-INIZCTEOSA-N 319.361 0.721 0 50 DCAA Nc1cncc(-c2ccc(C(=O)NC[C@@]3(O)CCNC3)cc2)c1 426711509 UVLQIYOBFSCFPH-QGZVFWFLSA-N 312.373 0.785 0 50 DCAA CC(=O)NCc1cc2n(n1)CCN(C(=O)c1ccncc1C)C2 426394497 FQFYGRIHIASALE-UHFFFAOYSA-N 313.361 0.879 0 50 DCAA NC(=O)[C@@H]1CCCN(C(=O)CN(Cc2ccccn2)C2CC2)C1 181367192 NOWOCWYVCGRWBS-CYBMUJFWSA-N 316.405 0.770 0 50 DCAA CCc1ncc(C(=O)N2CCN(C[C@@H]3CCCO3)CC2)cn1 95383871 REFZZLIMHUULRX-AWEZNQCLSA-N 304.394 0.976 0 50 DCAA CC[C@@H](NC(=O)Cn1[nH]c2ccccc2c1=O)[C@H]1C[C@@H](O)C1 244708264 KQJJBOFSLPWDKM-NTZNESFSSA-N 303.362 0.995 0 50 DCAA CN(C)C(=O)NCC(=O)N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 244874734 XGHIEWUOVSSUNG-RBSFLKMASA-N 319.405 0.756 0 50 DCAA CNC(=O)[C@H]1CC[C@H](CNC(=O)c2n[nH]c(N)c2Cl)CC1 244691547 JERVNKPMOZBITH-ZKCHVHJHSA-N 313.789 0.928 0 50 DCAA CCc1cc(N2CCN(C(=O)NC3(C(=O)O)CC3)CC2)ncn1 534649972 UZSFDNAZZAIIGM-UHFFFAOYSA-N 319.365 0.488 0 50 DCAA O=C(NCc1cscn1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 534665499 IASABBMUVNLMEI-STQMWFEESA-N 310.423 0.884 0 50 DCAA CNC(=O)C[C@@H]1CCN(C(=O)c2ccc(NC(C)=O)cc2O)C1 584899352 HQEVEIKPLMVIFL-NSHDSACASA-N 319.361 0.949 0 50 DCAA C[C@@H](NC(=O)Cn1nc2ccccc2n1)c1nnc(N)s1 670470024 XYSHGCNEERSPSJ-SSDOTTSWSA-N 303.351 0.742 0 50 DCAA O=C1C[C@@H](c2ccc(NC(=O)Cc3nc[nH]n3)cc2)NC(=O)N1 1362698199 BMKKQEIRCKVHRM-JTQLQIEISA-N 314.305 0.257 0 50 DCAA 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322.409 0.810 0 50 DCAA CO[C@H]1C[C@H](C(=O)N2CCCC2(C)C)N(S(C)(=O)=O)C1 241590480 PFFCVXAPNQHDRA-WDEREUQCSA-N 304.412 0.436 0 50 DCAA CCc1ccnc(CNC(=O)N2CC[C@@H](S(C)(=O)=O)C2)c1 252491875 LXZDFGVHLOBJQL-CYBMUJFWSA-N 311.407 0.973 0 50 DCAA Cc1c(O)ccc2c(CN3CCN(CCO)CC3)cc(=O)oc12 19371265 RQSMFKPVFUFSDD-UHFFFAOYSA-N 318.373 0.917 0 50 DCAA biogenic Cc1cc(C(F)(F)F)nc(N2CCC[C@@](O)(C(N)=O)C2)n1 583618083 ASPXFYCZVDUKJL-NSHDSACASA-N 304.272 0.620 0 50 DCAA COCC[C@H]1CNCCN1c1ncnc2c1ncn2C1CC1 900437709 ZQDWBQJMZCERCN-LBPRGKRZSA-N 302.382 0.976 0 50 DCAA C[C@@]1(C(=O)NCCc2nc(=O)o[nH]2)CCOc2ccccc21 935705151 FNJUSEWNWVDEOQ-OAHLLOKOSA-N 303.318 0.762 0 50 DCAA O=C(O)C1(C(=O)NC[C@@H]2CCS(=O)(=O)C2)CC2(CCC2)C1 851601290 KGTKQLKCKPSVFS-JTQLQIEISA-N 315.391 0.572 0 50 DCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCNC(=O)C34CCC4)n[nH]c21 1875396933 XVNZVKFZZPHSKG-ZJUUUORDSA-N 318.377 0.927 0 50 DCAA NCCn1cc(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccn2)nn1 888101342 LHAKWYLQYHTBBO-OCCSQVGLSA-N 314.393 0.773 0 50 DCAA C[C@H]1CC[C@@H](CS(=O)(=O)N(C)CCN2CCCC2=O)O1 1775998679 HPEYDXIUSYMKTD-RYUDHWBXSA-N 304.412 0.438 0 50 DCAA NS(=O)(=O)[C@@H]1CCN(c2ncncc2Br)C1 408295656 VWRZPENAOJOWLN-ZCFIWIBFSA-N 307.173 0.106 0 50 DCAA O=C([C@@H]1CCCCS1(=O)=O)N1C[C@H]2C[C@@H](O)CC[C@H]2C1 333324189 VALUNXDABXNTMY-RNJOBUHISA-N 301.408 0.573 0 50 DCAA CCOC(=O)C1=NN[C@H]2C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]12 18038164 UMEIVWNFSLFZMY-VXGBXAGGSA-N 315.329 0.684 0 50 DCAA CO[C@H]1C[C@H](C(=O)O)CN(C(=O)Cc2nncn2C(C)C)C1 2325796177 XQMLSCWAAUABGS-QWRGUYRKSA-N 310.354 0.350 0 50 DCAA OC[C@@H](O)Cn1cnc2c(N3CC[C@H]3C(F)(F)F)ncnc21 2325815231 WGRDTMJLQHCVHC-YUMQZZPRSA-N 317.271 0.321 0 50 DCAA O=C(NC[C@@H]1CC2(CCNCC2)C(=O)O1)c1cncc(O)c1 2325853910 GWCMNAVLAKDEDT-LBPRGKRZSA-N 305.334 0.202 0 50 DCAA CCOC(=O)c1ccc(NC(=O)C[C@@H]2NCCNC2=O)cc1 81666 DYCSYFGMOVSWAT-LBPRGKRZSA-N 305.334 0.280 0 50 DCAA CC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCO2)cc1 2737137 OMPFMPHZXFHHSN-GFCCVEGCSA-N 312.347 0.629 0 50 DCAA 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0.868 0 50 DCAA CN1C[C@@H]2CC[C@H](CC1=O)N2S(=O)(=O)NCc1ccccc1 72131737 GVTFORJCVMQNKN-KGLIPLIRSA-N 323.418 0.716 0 50 DCAA COc1ccccc1C(=O)N1CCN(C(=O)[C@H]2CCCN2)CC1 82083733 MVRYDGBUQSOGOG-CQSZACIVSA-N 317.389 0.732 0 50 DCAA CC(C)OC[C@H]1CN(C(=O)c2ccnc3c2CC(=O)N3)CCO1 613608893 YGGUMMKBXFSIIT-LLVKDONJSA-N 319.361 0.842 0 50 DCAA CCOC(=O)N1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1 220514701 GCEOLJRRUVZYCI-UHFFFAOYSA-N 320.397 0.542 0 50 DCAA O=C1C[C@@]2(CCN(C(=O)NCCc3ccccc3F)C2)C(=O)N1 82136860 LCWCZQHWGHGBDV-MRXNPFEDSA-N 319.336 0.816 0 50 DCAA CN(c1cc([C@@H]2CCOC2)nc(NCCO)n1)C1CCOCC1 426387311 RHQCRXALCHQCRI-GFCCVEGCSA-N 322.409 1.000 0 50 DCAA CCc1nc(CN(C)C(=O)CN2C(=O)OC(C)(C)C2=O)no1 95527141 QMKPGCRIFIXMFM-UHFFFAOYSA-N 310.310 0.348 0 50 DCAA O=C1CN(c2ccc(C(=O)N3CC=C[C@H]3CO)cc2)C(=O)N1 91644956 INOGRMDAIUOIJQ-LBPRGKRZSA-N 301.302 0.116 0 50 DCAA Cn1c(C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2)cc(=O)n(C)c1=O 97822923 UGOZCDPGEOITHN-BKUVIOGVSA-N 303.362 0.202 0 50 DCAA 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N[C@@H]1CCCCCN(C(=O)C(=O)N2CC[C@@H](CCCO)C2)C1 633102737 IVFLYQOSNJWQSJ-ZIAGYGMSSA-N 311.426 0.337 0 50 DCAA C[C@@H]1CCN(c2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)ccn2)C1 408417101 XODRDVWYKGXEFU-DGCLKSJQSA-N 323.418 0.845 0 50 DCAA O=C(N[C@H]1CCO[C@H]1C(=O)O)c1ncn(-c2ccccc2)n1 659174988 RXBXOXKGBSGDKY-WDEREUQCSA-N 302.290 0.239 0 50 DCAA CCN1CC[C@@H](NC(=O)c2ccc(N3CCCC3)nn2)C1=O 670037507 OAVPJNCILSUEOL-GFCCVEGCSA-N 303.366 0.427 0 50 DCAA CN1CC[C@@](C)(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)C1=O 585120994 BEKNORLIOXPMJH-SUMWQHHRSA-N 321.421 0.620 0 50 DCAA CCOc1ccc(OCC(=O)NS(=O)(=O)CCOC)cc1 732520576 BGOXXRIYADSYBC-UHFFFAOYSA-N 317.363 0.557 0 50 DCAA O=C(NCCOc1cccnc1)c1ncn([C@@H]2CCCNC2)n1 780011234 JIICTFOUSZCDFL-GFCCVEGCSA-N 316.365 0.406 0 50 DCAA CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1Nc1ncc(Cl)cn1 1704316140 WTTWBIVQIVULFD-WPRPVWTQSA-N 320.802 0.448 0 50 DCAA O[C@@H](CNCCc1ccccc1)COCCCN1CCOCC1 5092971 BPUNQXFFARECOO-SFHVURJKSA-N 322.449 0.919 0 50 DCAA O=C(CNC(=O)c1ccccc1)NCC1(CO)CCOCC1 151491761 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322.292 0.564 0 50 DCAA COCCn1cc(CNC(=O)C2C(C)(C)C2(C)C)c(O)nc1=O 952994455 VHNWJVNUTVILHD-UHFFFAOYSA-N 323.393 0.894 0 50 DCAA Cc1nc(O)cc(C(=O)NCC2CN(C(=O)c3ccco3)C2)n1 1875332654 COZGICNYKJUYDM-UHFFFAOYSA-N 316.317 0.586 0 50 DCAA Cn1[nH]nnc1=N[C@H]1C[C@H](NC(=O)c2conc2C2CCC2)C1 1875349719 KCRHHGNHVXXQIF-MGCOHNPYSA-N 317.353 0.260 0 50 DCAA N[C@@H]1[C@@H]2CC[C@H]1N(C(=O)C(=O)N1CCC[C@@H](C3CCC3)C1)C2 1875318046 BJOSFPKBAJHRGI-KBUPBQIOSA-N 305.422 0.973 0 50 DCAA CCn1cc(CC(=O)N[C@@H]2C[C@H](Cn3ccnc3)C[C@H]2O)cn1 1875403707 ZAFNWAUSUKKUGP-NWANDNLSSA-N 317.393 0.598 0 50 DCAA COC(=O)C1=NN[C@]2(C)C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 81706 BRQFQQZGMSCVNR-BMIGLBTASA-N 301.302 0.375 0 50 DCAA O=C(N[C@H]1C[C@H](O)[C@H](O)C1)[C@H]1CCCN(c2ccccn2)C1 2325774291 CJRSPHQEFJRORX-XDQVBPFNSA-N 305.378 0.298 0 50 DCAA CO[C@H]1CC[C@H](NC(=O)[C@H]2CCc3nn(C)c(=O)n3C2)CC1 2356158519 NJCAJTXUSDXVTK-SRVKXCTJSA-N 308.382 0.218 0 50 DCAA CN(C)CCCNC(=O)c1c(O)c2cccc3c2n(c1=O)CC3 100621208 MOPCINFVYLASTK-UHFFFAOYSA-N 315.373 0.945 0 50 DCAA biogenic C[C@@H]1CN(Cc2ccccc2C(=O)N(C)C)CCN1CCO 417997960 SMKUOLFLYVPXOQ-CQSZACIVSA-N 305.422 0.887 0 50 DCAA CCn1c([C@@H]2CCCNC2)nn(CCCCC(=O)OC)c1=O 67691110 DGSOLGCPNDBNFX-GFCCVEGCSA-N 310.398 0.875 0 50 DCAA CC(C)N1CCCn2nc(C(=O)N[C@@H](C)C(=O)N(C)C)cc2C1 67587025 BULJESZLEYYGEX-LBPRGKRZSA-N 321.425 0.704 0 50 DCAA CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](N2CCNCC2=O)C1 423544571 XBSOVYKRKLWYPM-DZKIICNBSA-N 323.437 0.470 0 50 DCAA CN(C)C[C@H]1CN(C[C@@H](O)c2ccc3c(c2)OCO3)CCO1 229555142 STDUVQMYBDVGCD-UONOGXRCSA-N 308.378 0.711 0 50 DCAA CC(C)NC(=O)CN[C@@H](C)Cn1cnc2ccccc2c1=O 67954890 PIYFUPTVBRQKED-LBPRGKRZSA-N 302.378 0.899 0 50 DCAA Cc1cc(N2CC[C@@H](N3C[C@@H](CO)OC(C)(C)C3)C2=O)n(C)n1 328616518 SOTCXJMWNTYDIP-QWHCGFSZSA-N 322.409 0.306 0 50 DCAA Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CNCCO3)CC2)c1 72423704 BKUWJCAKHWJHEE-MRXNPFEDSA-N 303.406 0.940 0 50 DCAA COCCN1CN(C(=O)c2cn(-c3ccccc3)nn2)CC1=O 253392625 RHEPPYMKHGHIDV-UHFFFAOYSA-N 315.333 0.156 0 50 DCAA CCn1cc(NS(=O)(=O)N2CCCCC2)c(C(N)=O)n1 253429867 DLHSDHSGDPVKAU-UHFFFAOYSA-N 301.372 0.145 0 50 DCAA CN(C)S(=O)(=O)CCN1CC[C@](O)(c2ccc(F)cc2)C1 367138919 TVVLPSLKXZGGFQ-CQSZACIVSA-N 316.398 0.610 0 50 DCAA NC(=O)[C@@H]1CCCN(c2nc(-c3ccncc3)nc3c2CNC3)C1 72132990 PXFHTGUSTBQTFU-GFCCVEGCSA-N 324.388 0.844 0 50 DCAA CN1C[C@H](NC(=O)NC(C)(C)CN2CCOCC2)CCC1=O 334017146 BPFKKMFOAIIYKA-GFCCVEGCSA-N 312.414 0.017 0 50 DCAA COc1ccc(C(=O)NC[C@H](C(=O)O)C2CCOCC2)cn1 262859834 FCBYIRPYJFSZDO-LBPRGKRZSA-N 308.334 0.947 0 50 DCAA COc1cccc(/C=C/C(=O)NS(=O)(=O)[C@@H]2CCOC2)c1 491828057 MLFKEFLJMODRIZ-URWSZGRFSA-N 311.359 0.943 0 50 DCAA CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2nc[nH]n2)C1 242263411 XYYAPJPLRSYHHF-GMTAPVOTSA-N 307.354 0.645 0 50 DCAA Cc1cnn(C2(C(=O)O)CCN(C(=O)[C@@H]3CCCO3)CC2)c1 72424504 XPKXWNWZGLGDSO-LBPRGKRZSA-N 307.350 0.773 0 50 DCAA COCCn1cnnc1CN(C)C(=O)[C@@H]1CC(=O)N(C(C)C)C1 77437268 PBZQIIFNGHFRMH-GFCCVEGCSA-N 323.397 0.140 0 50 DCAA Cc1nccn1C[C@H]1CCCN1CCC(=O)N1CCOCC1 178291760 DBDIAMAAZIOYIQ-OAHLLOKOSA-N 306.410 0.905 0 50 DCAA Cn1nnc(-c2ccc(C(=O)N3CCCC[C@H]3C(=O)O)cc2)n1 426649729 QPPJRDZATLOLAN-LBPRGKRZSA-N 315.333 0.956 0 50 DCAA COCCN1CC[C@H](CNC(=O)N2CCc3n[nH]c(C)c3C2)C1 426383322 PZISPXWSUULCGO-CYBMUJFWSA-N 321.425 0.754 0 50 DCAA C[C@@H](C(=O)NCCCc1nn[nH]n1)n1c(=O)oc2ccccc21 426478923 LUHZQGRQUSSIKA-VIFPVBQESA-N 316.321 0.418 0 50 DCAA Cn1ccc(NC(=O)CN2CCC3(CC2)OCCC[C@H]3O)n1 95391999 JJLRDGBZTRUGGX-GFCCVEGCSA-N 308.382 0.365 0 50 DCAA Cc1[nH]ccc1C(=O)N1CCC2(CC1)[C@@H](OCCO)C[C@H]2O 91320838 KSXPAWRAHKXHFT-KGLIPLIRSA-N 308.378 0.688 0 50 DCAA Cc1cccc([C@H]2C(=O)NCCN2C(=O)Cc2ccn(C)n2)c1 620355021 YNUWUAWJNOFDDP-INIZCTEOSA-N 312.373 0.971 0 50 DCAA O[C@H]1CN(Cc2nc(-c3ccco3)no2)C[C@@H]1N1CCOCC1 244874260 WXOLLMXPFQFYFI-RYUDHWBXSA-N 320.349 0.207 0 50 DCAA CCc1nnc(CN(C)c2cc([C@H]3C[C@@H](O)C3)nc(N)n2)o1 252552909 VFMKNFSMXHZAFG-DTORHVGOSA-N 304.354 0.879 0 50 DCAA Nc1ccsc1C(=O)N1CC[C@H]2[C@H](C1)OCc1cnnn12 299773598 DQCHCPMPIVVLAN-QWRGUYRKSA-N 305.363 0.908 0 50 DCAA CC(=O)N1CCO[C@@H](CNC(=O)c2ccn(C(F)F)n2)C1 299786848 XZTRLHBOBMUXMA-VIFPVBQESA-N 302.281 0.255 0 50 DCAA Cc1ccn(CC(=O)N2CC[C@@H]3OCc4cnnn4[C@H]3C2)n1 299797591 OEVJIQFDBJIHLB-STQMWFEESA-N 302.338 0.155 0 50 DCAA CN(C[C@@H]1CCCN1C)C(=O)CCC(=O)Nc1nncs1 828084897 XGNVJAIAVUBETJ-JTQLQIEISA-N 311.411 0.809 0 50 DCAA Cc1n[nH]c(C)c1CC(=O)NCCCN1CCCC[C@@H]1CO 828710816 JTABTZNFXVWWKM-CQSZACIVSA-N 308.426 0.922 0 50 DCAA CCCN1C(=O)N[C@H](Cc2ncnn2-c2cc(C)ccn2)C1=O 822919160 HELKFJHDKIBFQP-LLVKDONJSA-N 314.349 0.844 0 50 DCAA CCC[C@H](NC(C)=O)C(=O)NCc1nc(C(F)(F)F)n[nH]1 584889183 HNZMWFJWINLBLP-ZETCQYMHSA-N 307.276 0.745 0 50 DCAA CCCN1C(=O)N[C@@H](CC(=O)N(C)CC2(CO)CCC2)C1=O 584900187 HLKOSNBEOYVVTB-NSHDSACASA-N 311.382 0.328 0 50 DCAA CCn1cc(S(=O)(=O)NCCCN2CCC[C@H](O)C2)cn1 670469339 SENASGSAFXTVQA-LBPRGKRZSA-N 316.427 0.028 0 50 DCAA CCNC(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 187732815 SLNSDWSBDUTDJI-UHFFFAOYSA-N 312.395 0.186 0 50 DCAA Cn1nc(C(=O)N[C@@]2(CCO)CCOC2)cc1OC(F)F 278185046 TWBDQODCNGXPMV-LBPRGKRZSA-N 305.281 0.293 0 50 DCAA Cc1ccc2c(c1)N(C(=O)C(=O)NC[C@@H]1CCC(=O)N1)CC2 170653713 YGRPITVKAGXKOM-LBPRGKRZSA-N 301.346 0.279 0 50 DCAA O=C(N[C@@H]1CCN2CCCC[C@H]12)N1CC[C@@](O)(c2cnn[nH]2)C1 794311056 AOCWOOVSKDVREK-JMSVASOKSA-N 320.397 0.034 0 50 DCAA CC(C)(C)[C@@H](O)CNC(=O)NCc1ccnc(-n2cncn2)c1 1615054953 DANRVZYEATVOTP-LBPRGKRZSA-N 318.381 0.869 0 50 DCAA O=C(CCCn1cncn1)NCCc1noc(C(F)(F)F)n1 1506407521 SLPTUSUDKOCQGY-UHFFFAOYSA-N 318.259 0.819 0 50 DCAA O=C(CN1CCOC1=O)N[C@H]1COC[C@H]1Cc1ccncc1 1616078272 BKHARDIJRCXAGI-OLZOCXBDSA-N 305.334 0.208 0 50 DCAA O=C(c1nnc2n1CCCCC2)N1CCC([C@@H](O)CO)CC1 1772708847 KOUGRCQJRGNWRY-LBPRGKRZSA-N 308.382 0.210 0 50 DCAA COc1ccc(N2CCN(C(=O)CN3CCOC3=O)CC2)cn1 1857666584 NOWBBLOOBKXVCH-UHFFFAOYSA-N 320.349 0.191 0 50 DCAA Cc1ccc(F)c2c1CCCN2CC(=O)N1CCNC(=O)C1 112579407 HZJUQSRNNADUPW-UHFFFAOYSA-N 305.353 0.845 0 50 DCAA CN[C@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)c(C)c2)C1 134020390 BBFULOIQWWALJB-LBPRGKRZSA-N 311.407 0.466 0 50 DCAA 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NCC12CC(C(=O)Nc3cccc(Cn4cnnc4)c3)(CO1)C2 1875277337 ZQJXKVYZYYOKLI-UHFFFAOYSA-N 313.361 0.773 0 50 DCAA Cc1nn(CC(=O)N2COCC[C@@H]2c2ccccc2)c(=O)n1C 888197466 RHVDVVZESLMKCB-CQSZACIVSA-N 316.361 0.838 0 50 DCAA COC(=O)C1=NN[C@H]2C(=O)N(c3cccc(C)c3C)C(=O)[C@@H]12 100059267 OCYOUKBIWMOJHK-GHMZBOCLSA-N 301.302 0.294 0 50 DCAA CCN(CCOC)C(=O)Cn1nc(O)c2ccccc2c1=O 2325725853 CCVHVNMJIPKUSU-UHFFFAOYSA-N 305.334 0.597 0 50 DCAA Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NC1CCCCCC1 264696 RZEYUCWBYHWRTD-UHFFFAOYSA-N 301.368 0.373 0 50 DCAA C[S@](=O)CC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O 2875374 OHBLCPSPVBXNBB-MLCYQJTMSA-N 305.377 0.187 0 50 DCAA CC(C)NC(=O)N[C@H]1[C@H](NC(=O)NC(C)C)N(C)C(=O)N1C 4802744 QADUZHOMNVUIAR-NXEZZACHSA-N 314.390 0.051 0 50 DCAA CCn1ccnc1[C@@H]1CCCCN1CCN1C(=O)CNC1=O 280939443 HSGBSIDZJLHIJS-LBPRGKRZSA-N 305.382 0.982 0 50 DCAA C/C=C/Cn1c(=O)c2c(nc3n2[C@@H](C)C(C)=NN3)n(C)c1=O 10337030 JVIRTACXWPQCCW-CYNONHLPSA-N 302.338 0.835 0 50 DCAA COCCN1CCC[C@@](O)(CNCc2cc(C)nc(C)c2)C1=O 67676557 KRIOFVGIOCCTPF-QGZVFWFLSA-N 321.421 0.788 0 50 DCAA CC(C)NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 22230378 NAPCWAFNASVTEK-UHFFFAOYSA-N 300.380 0.986 0 50 DCAA Cc1nc(C)c(CC(=O)N2CCN3CCN(C)C[C@@H]3C2)s1 65372040 DHIFFOKYGMGXTA-CYBMUJFWSA-N 308.451 0.761 0 50 DCAA CCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cc2ccccn2n1 67966670 SVMUSXJOXINHCP-MFKMUULPSA-N 301.350 0.012 0 50 DCAA CNC(=O)c1ccc([C@H]2CCCCN2Cc2nc(O)n[nH]2)n1C 328640353 QBFOJIGMRFWJHM-LLVKDONJSA-N 318.381 0.936 0 50 DCAA Cc1nnc(SCCCNC(=O)C[C@H]2COCCN2)s1 72139082 VSKVJVWHTFZKAN-JTQLQIEISA-N 316.452 0.823 0 50 DCAA Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)CN2CCOCC2)C1 77301109 AWQAIOHAQQRRSE-CYBMUJFWSA-N 320.393 0.174 0 50 DCAA Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H]1CCC(=O)NC12CCC2 366985030 ZOGKQCKTBACZAG-LLVKDONJSA-N 318.377 0.537 0 50 DCAA O=C1NC(=O)[C@@H](CC(=O)N2CCC(Oc3cccnc3)CC2)N1 216270878 AGZRFJUROCYTCF-GFCCVEGCSA-N 318.333 0.050 0 50 DCAA CC(C)c1nnc(COC2CN(C(=O)[C@@H]3CNC(=O)C3)C2)o1 606445851 XZVSJZHGFWZCSS-VIFPVBQESA-N 308.338 0.057 0 50 DCAA Cc1ccc([C@H](C(=O)NCCc2n[nH]c(=O)[nH]2)N(C)C)cc1 219043195 YWGHNOXYJAQFBJ-CYBMUJFWSA-N 303.366 0.368 0 50 DCAA Cc1nc(CCNC(=O)[C@H]2CNCCO2)nc2c1CCCC2 72148628 JYAFPZDVRFWCLL-CQSZACIVSA-N 304.394 0.311 0 50 DCAA Cn1cncc1CNC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 377970259 PPLQTZKOULSIEH-LBPRGKRZSA-N 313.361 0.480 0 50 DCAA CCN1C(=O)[C@H]2CN(C(=O)c3c(C)nn(C)c3C)CCN2C1=O 378010747 UALNMQFPYKNZCB-LLVKDONJSA-N 319.365 0.145 0 50 DCAA NC(=O)[C@@]1(O)CCCN(C(=O)c2cnc3ccc(F)cc3c2)C1 285468791 KJWXVXFRCNGGTQ-MRXNPFEDSA-N 317.320 0.826 0 50 DCAA Cn1cncc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccccn1 220547190 RXHXHTGTQSKZQS-DGCLKSJQSA-N 302.334 0.781 0 50 DCAA CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Cn1cccnc1=O 97572297 CBVYNVSROISTOR-LBPRGKRZSA-N 303.366 0.671 0 50 DCAA NCC1CCN(c2cnn(CCCn3cccn3)c(=O)c2)CC1 95380341 AZPAMTQBSOMEFT-UHFFFAOYSA-N 316.409 0.705 0 50 DCAA Cc1ncc(C(=O)N2CC[C@@]3(CCCN(C)C3=O)C2)c(=O)[nH]1 96141284 KYIOKANFVDWMSK-HNNXBMFYSA-N 304.350 0.163 0 50 DCAA CCc1noc([C@@H]2CCC(=O)N(CCN3CCOCC3)C2)n1 91391127 LBVPDQJNIJKIOH-GFCCVEGCSA-N 308.382 0.670 0 50 DCAA Nc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3=O)n[nH]1 95379163 YRAUBHLJDBLFKV-NWDGAFQWSA-N 317.393 0.855 0 50 DCAA CN1CCCNC(=O)C12CCN(CCc1ccccn1)CC2 244700968 JXJRUWORPCUDQF-UHFFFAOYSA-N 302.422 0.910 0 50 DCAA CN(C)c1nc(O)cc([C@H]2C[C@@H](NC(=O)c3nccn3C)C2)n1 253535604 IDOZITIAJGNLLK-AOOOYVTPSA-N 316.365 0.658 0 50 DCAA CC[C@@H](NC(=O)c1ncn([C@@H]2CCCNC2)n1)c1noc(C)n1 299744471 SMSNJXMQFXLGJF-GHMZBOCLSA-N 319.369 0.775 0 50 DCAA O=C(NCCc1ccc(Br)cc1)[C@@H]1C[C@H](O)CN1 299738378 QARAYBWMYOKEMO-RYUDHWBXSA-N 313.195 0.831 0 50 DCAA O=C(O)[C@@H]1CN(C(=O)c2cccc(-n3cccn3)c2)CCO1 299752546 UNXCCRNFURWNPG-ZDUSSCGKSA-N 301.302 0.798 0 50 DCAA COCCN(CC(=O)O)C(=O)Cc1ccc2c(c1)OCCO2 299748959 IRENPUAFPDCHBM-UHFFFAOYSA-N 309.318 0.560 0 50 DCAA CN1CCO[C@@H](CNS(=O)(=O)CCOc2ccccc2)C1 289280438 FLNLGZPKJSOTET-AWEZNQCLSA-N 314.407 0.315 0 50 DCAA Nc1ccc(O)cc1C(=O)NCCCN1CCC[C@@H](CO)C1 828711094 DJRIBKKRPXMSDU-GFCCVEGCSA-N 307.394 0.799 0 50 DCAA CN1CCN(S(=O)(=O)NC[C@@H]2CCN(C(C)(C)C)C2)CC1 823791296 VHRPVDRICQVREU-ZDUSSCGKSA-N 318.487 0.189 0 50 DCAA CCc1cncc(C(=O)N[C@H]2COC[C@H]2Oc2cn[nH]c2)c1 685942473 RGSYWGBJJPJTOX-UONOGXRCSA-N 302.334 0.943 0 50 DCAA O=C(N[C@H]1CCOC[C@@H]1OCc1cscn1)c1cnc(O)[nH]1 1565530009 RERZIXMWVNSWAO-ONGXEEELSA-N 324.362 0.676 0 50 DCAA Cc1onc(C(=O)N[C@H]2CCOC[C@@H]2OCC2CC2)c1CO 1565513335 TVJCSQPPYVFHAL-STQMWFEESA-N 310.350 0.789 0 50 DCAA Cc1cc(C(=O)N[C@H]2CCOC[C@@H]2OCC(=O)O)cc(O)n1 1565506275 PCHDKVBKDFKPFJ-QWRGUYRKSA-N 310.306 0.084 0 50 DCAA COCCN1CCN(c2ccc(C(F)(F)F)nn2)CC1=O 271059001 CWKCONRMTUIZOJ-UHFFFAOYSA-N 304.272 0.790 0 50 DCAA O=C1Cc2ccc(CC(=O)NC3CN(c4ccncn4)C3)cc2N1 634453658 PUNOMVOCVPFRBE-UHFFFAOYSA-N 323.356 0.519 0 50 DCAA CC[C@@]1(C)NC(=O)N(NC(=O)[C@@H]2Cc3ccccc3O2)C1=O 278867151 UYFYOKONNZYHEV-XHDPSFHLSA-N 303.318 0.742 0 50 DCAA O=C(CN1CCCC[C@@H](O)C1=O)NCC1CCN(C2CC2)CC1 644448338 JVIFUCPXNYJQCB-OAHLLOKOSA-N 323.437 0.350 0 50 DCAA CC[S@](=O)c1ccccc1C(=O)NC[C@H]1CN(C)CCO1 194615599 CJIMGCZDBSLQDU-QKVFXAPYSA-N 310.419 0.875 0 50 DCAA CC(C)(C(=O)O)[C@@H]1CCCN(C(=O)[C@@H]2CCCS2(=O)=O)C1 656239197 WGXUORNAXTZDMR-MNOVXSKESA-N 317.407 0.913 0 50 DCAA COc1ccccc1[C@H](N)CNC(=O)c1cnc2n1CCOC2 659299053 DNPKIYQVSSZLMX-GFCCVEGCSA-N 316.361 0.852 0 50 DCAA CS(=O)(=O)N[C@@H]1CCN([C@H](C(=O)O)c2ccc(F)cc2)C1 577118213 URWJHVACZNBMSJ-NEPJUHHUSA-N 316.354 0.575 0 50 DCAA CN(CC(=O)N1CCS[C@H]1C(F)(F)F)S(C)(=O)=O 585126423 YTZMEXHWQFETNP-ZETCQYMHSA-N 306.331 0.342 0 50 DCAA CCCCCOCC(=O)NCC12COCCN1CCOC2 585128878 PTENXZSNRHBUPI-UHFFFAOYSA-N 300.399 0.411 0 50 DCAA Cc1cccc(O[C@@H](C)C(=O)N2CCOC[C@@H]2c2nn[nH]n2)c1 737400353 AINBKCDWDIYPJD-WCQYABFASA-N 317.349 0.876 0 50 DCAA Cn1cc([C@H](O)C[C@H]2CCCN2S(=O)(=O)N2CCC2)cn1 795904905 UUGVKNLCFZCJGG-CHWSQXEVSA-N 314.411 0.259 0 50 DCAA CN(C)S(=O)(=O)c1ccc(NC(=O)C2(C(=O)O)CC2)cc1 1610103228 JYCKJGKYATWOCK-UHFFFAOYSA-N 312.347 0.740 0 50 DCAA CO[C@H]1CN(C(=O)CCn2cnnc2)C[C@H]1Cc1cc(C)no1 1704355295 PNCKHXWRCPKBJA-OCCSQVGLSA-N 319.365 0.681 0 50 DCAA O=C(CCN1C[C@@H]2COCC[C@]2(C(=O)O)C1)Nc1cccnc1 1772712723 XFIJPBGHVGAJRA-WBMJQRKESA-N 319.361 0.833 0 50 DCAA CO[C@H]1[C@H](OC(C)=O)[C@H](C)O[C@H](OC(C)=O)[C@@H]1OC(C)=O 5677013 PYFNMYOLTSCFQY-MNFKIPLOSA-N 304.295 0.173 0 50 DCAA Cc1nnc(CNC[C@@]2(O)CCCN(CC(C)(C)C)C2=O)[nH]1 12387528 QOIAXLVUPFNTDC-HNNXBMFYSA-N 309.414 0.602 0 50 DCAA CC(=O)NCC(=O)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 14979011 SNHUFUBMLCCPNP-AWEZNQCLSA-N 321.352 0.221 0 50 DCAA Cc1nc[nH]c1CC(=O)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857728259 UKGKXLWHKBJQTI-DOMZBBRYSA-N 304.350 0.210 0 50 DCAA Cc1cc(C[C@@H]2CN(c3nc(=N)nc4[nH][nH]cc3-4)C[C@H]2O)on1 1857738847 BEHPMOMENTZQLL-LDYMZIIASA-N 315.337 0.053 0 50 DCAA CN(C(=O)Cc1cnnn1C)[C@@H]1CCN(c2ccccc2)C1=O 668549565 XZBIIVCJIKVKQG-CQSZACIVSA-N 313.361 0.622 0 50 DCAA N[C@H]1C[C@H](C(=O)N2CCC(CCn3cccn3)CC2)C[C@@H]1O 1875251438 KJFKCLIZSZBLOL-KKUMJFAQSA-N 306.410 0.610 0 50 DCAA O=C(NCC1(c2ccc(F)cc2)CCOCC1)[C@H]1C[C@H](O)CN1 262403677 OLMHJIKIVMJWKP-LSDHHAIUSA-N 322.380 0.713 0 50 DCAA CN1C[C@H]2COC[C@@H]1CN(C(=O)Cn1ncc3ccccc31)C2 1704311368 GSCPXTUSYGYCKZ-HIFRSBDPSA-N 314.389 0.825 0 50 DCAA COc1cccc2c1CC[C@@]2(N)C(=O)NCC1=CCNCC1 1122015531 OQEDVUWKTGJEEG-KRWDZBQOSA-N 301.390 0.831 0 50 DCAA CO[C@H]1C[C@@H](Cn2ccc(N)n2)N(C(=O)c2ccncc2F)C1 952887367 AMCJDOPTFZNONX-QWRGUYRKSA-N 319.340 0.929 0 50 DCAA CC[C@@H]1CN(C(=O)NCc2nonc2C)C[C@H]1N1CCOCC1 876439406 KPQXUUVTVIVQII-TZMCWYRMSA-N 323.397 0.630 0 50 DCAA C=CC(=O)N(C)CC(=O)N[C@H]1CCCc2cnn(CCOC)c21 1875366242 ACKQOOPYKNHWFP-ZDUSSCGKSA-N 320.393 0.668 0 50 DCAA CC(=O)N1CCO[C@H]2CCN(c3ncnc(N)c3Cl)C[C@H]21 886035970 VUQWASRFNAGDNB-ZJUUUORDSA-N 311.773 0.538 0 50 DCAA Cc1ccnn1CC(=O)N[C@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 888095081 HYSZUSSJMMDLJU-HUBLWGQQSA-N 306.366 0.134 0 50 DCAA Cc1cc(O)cc(=O)n1CC(=O)N1CCOC[C@@]1(C)C1CC1 890585511 QQWZVPXXGASSJU-INIZCTEOSA-N 306.362 0.890 0 50 DCAA CCN=c1[nH]cc(C(=O)NCCn2cnc(C(=O)O)c2)s1 2325865317 XUTVGWPXCMPLPZ-UHFFFAOYSA-N 309.351 0.322 0 50 DCAA COCCNC(=O)CN(c1ccccc1OC)S(C)(=O)=O 4192984 YDERXNZKYNZJEI-UHFFFAOYSA-N 316.379 0.224 0 50 DCAA CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccs1 4195900 DFCUCTBFCBDRLO-VIFPVBQESA-N 309.434 0.946 0 50 DCAA aggregator CC(C)CN1CCO[C@H](CCNC(=O)C2=NNC(=O)CC2)C1 67868854 VPLNRBZNNHURKJ-GFCCVEGCSA-N 310.398 0.116 0 50 DCAA CCNC(=O)COc1ccc(N(CC)S(C)(=O)=O)cc1 10009945 LHBJIZUNSVLTQM-UHFFFAOYSA-N 300.380 0.987 0 50 DCAA CC(C)c1nccc(CN2CC[C@@H](CNS(C)(=O)=O)C2)n1 67770622 JVAVOLMGGBGBNZ-LBPRGKRZSA-N 312.439 0.971 0 50 DCAA COc1ccc(Cc2ncc3c(n2)CN(C(=O)C(N)=O)C3)cc1 67974202 GAOYGFDRFFYARU-UHFFFAOYSA-N 312.329 0.404 0 50 DCAA C[C@@H]1CC[C@@H](C)N1C(=O)CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2C 138198813 KEJGIIUESPCGPY-RKDXNWHRSA-N 319.365 0.282 0 50 DCAA Nc1nc(NCCCn2ccnc2)cc(N2CCOCC2)n1 65385811 TWTGTKNAHAFLJV-UHFFFAOYSA-N 303.370 0.594 0 50 DCAA COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1c[nH]c2ccccc12 20914593 JIRKHDRSDOHDPM-ZDUSSCGKSA-N 315.329 0.672 0 50 DCAA NC(=O)[C@H](c1ccccc1)N1CCO[C@@H](Cn2cncn2)C1 229803191 NNDSEDFROSCVEB-KGLIPLIRSA-N 301.350 0.206 0 50 DCAA COC[C@H]1[C@@H](NC(=O)CSc2nncn2C)[C@@H]2CCO[C@@H]21 219694584 QGSXSSRZNREAJE-QSFUFRPTSA-N 312.395 0.073 0 50 DCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)C)c(F)c1 72143714 ZXFWOLMZSOVZPP-AWEZNQCLSA-N 323.368 0.613 0 50 DCAA O=C(NC[C@]1(O)CCNC1)c1cccc(Cn2cccn2)c1 72135576 CFOXLNABRANULU-INIZCTEOSA-N 300.362 0.386 0 50 DCAA CCS(=O)(=O)NCCN1C[C@H](O)C[C@H]1c1ccc(F)cc1 253394586 GVKSXEMSIJZUPF-KGLIPLIRSA-N 316.398 0.873 0 50 DCAA Cc1ncsc1CN(C[C@@H]1CCNC1)C(=O)[C@H]1CNC(=O)C1 435600441 BYHVNCNFIBXCQL-VXGBXAGGSA-N 322.434 0.526 0 50 DCAA CCn1cnc2c(c1=O)CCN(C(=O)N1CCC(OC)CC1)C2 329979556 JUNOAIHPZFGYNW-UHFFFAOYSA-N 320.393 0.852 0 50 DCAA COc1ccnc(CNC(=O)c2ccc(S(N)(=O)=O)cc2)c1 216543539 MYRGGGZSXIFDLV-UHFFFAOYSA-N 321.358 0.668 0 50 DCAA Cc1nc(CN2CCC[C@H](N(C)[C@H]3C[C@@H](C)OC3=O)C2)no1 257365646 CYKUPQXYNMCGJM-WXHSDQCUSA-N 308.382 0.978 0 50 DCAA C[C@@H]1CN(C(=O)c2ccc(CNS(C)(=O)=O)o2)C[C@@H](C)N1 153980265 MSIPXUBWBAFYHE-NXEZZACHSA-N 315.395 0.151 0 50 DCAA CC(C)OC[C@@H]1CN(c2ncccc2S(N)(=O)=O)CCO1 364910180 QVEHGYJLNIEKOY-NSHDSACASA-N 315.395 0.359 0 50 DCAA C[C@H](N)[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 368445788 OAYSATNVNSHPQV-GMXVVIOVSA-N 305.382 0.491 0 50 DCAA CC(=O)N[C@@H]1[C@@H](NC(=O)c2nn(C)cc2Cl)[C@H]2CCO[C@H]21 218978257 WJTHQLPKQMOOSH-OAIFWDMCSA-N 312.757 0.095 0 50 DCAA CCc1cc(N2CCN(C[C@@]3(O)CCCNC3)CC2)ncn1 72421578 LGRFQQXCFJKPIL-MRXNPFEDSA-N 305.426 0.276 0 50 DCAA Cc1nc(C)c(C(=O)N2CCN(CCn3cncn3)CC2)s1 82099893 VGKNUCUADLJBJH-UHFFFAOYSA-N 320.422 0.809 0 50 DCAA C[C@@H]1CO[C@@H](CO)CN1C(=O)c1ccc2c(N)ncnc2c1 612508028 QQUACXFDWUSMBC-MWLCHTKSSA-N 302.334 0.434 0 50 DCAA CN(C[C@H]1CCOC1)C(=O)Cn1nnc(-c2ccccc2)n1 177330018 QGTLZNVIJKWWMJ-GFCCVEGCSA-N 301.350 0.835 0 50 DCAA COc1ccnc(N2CCCn3nc([C@H](O)CO)cc3C2)n1 220250309 BAMPSMFPEUCQOH-GFCCVEGCSA-N 305.338 0.118 0 50 DCAA OC[C@@H]1C[C@H](CN2CCOCC2)CN(Cc2ccncc2)C1 91680018 JYESZTOFJVDRGV-IAGOWNOFSA-N 305.422 0.844 0 50 DCAA 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CC(C)N(C)S(=O)(=O)NCc1nc(-c2ccccn2)no1 670461067 SGUUQRWRGHVCCW-UHFFFAOYSA-N 311.367 0.806 0 50 DCAA CN(C)c1ccc(C(=O)N[C@@H]2C[C@@H](O)C23CCOCC3)nc1 685943005 ZOZQEFNTIGVPPU-ZIAGYGMSSA-N 305.378 0.807 0 50 DCAA CCO[C@H](C)C(=O)NC1CN(C(=O)c2ccnn2C(C)C)C1 1498105241 BEGOWURUIVXQJC-LLVKDONJSA-N 308.382 0.830 0 50 DCAA CN(C)c1n[nH]c(CNC(=O)N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)n1 637788603 DVFXSYGSISPCSJ-UTUOFQBUSA-N 322.413 0.706 0 50 DCAA CC1(C(N)=O)CN(C(=O)c2cnn(-c3ccccc3F)c2)C1 574043644 ZDPJEFKHSANQCA-UHFFFAOYSA-N 302.309 0.959 0 50 DCAA O=C(O)c1cn([C@@H]2CCCN(C(=O)Cc3cscn3)C2)nn1 668292762 NMGKBGXGPCMDPM-SNVBAGLBSA-N 321.362 0.839 0 50 DCAA CCCC[C@@](C)(CO)NC(=O)[C@@H](CC(=O)OC)NC(C)=O 585112900 HHCYWLCKANJIAA-RISCZKNCSA-N 302.371 0.112 0 50 DCAA C[C@](O)(CNC(=O)c1c[nH]c(C(N)=O)c1)c1ccc(F)cc1 759969518 IBWAOJJFROKCLL-HNNXBMFYSA-N 305.309 0.890 0 50 DCAA COc1ccc(S(=O)(=O)N2C[C@@H](OC)C[C@H]2CO)cc1O 1615605966 MXOJDYNOVCMAIW-UWVGGRQHSA-N 317.363 0.171 0 50 DCAA 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CC1(C)COc2c(S(=O)(=O)N3CCn4nccc43)cnn2C1 903629917 CXENANVLPXYZJZ-UHFFFAOYSA-N 323.378 0.707 0 50 DCAA CN(C)c1nc(O)cc([C@@H]2CCN(C(=O)Cc3ccon3)C2)n1 864838948 AOTLARUUQTXUMU-SNVBAGLBSA-N 317.349 0.795 0 50 DCAA CO[C@@H]1CN(C(=O)C2=C(C)OCCC2)C[C@H]1c1cn(C)nn1 886084778 GYMDAEAFXZWWCO-GXTWGEPZSA-N 306.366 0.840 0 50 DCAA CC(=O)N1CCO[C@@H]2CCN(c3ncnc(N)c3Cl)C[C@H]21 886035966 VUQWASRFNAGDNB-NXEZZACHSA-N 311.773 0.538 0 50 DCAA Cc1ccoc1C(=O)N1CCN([C@@]2(C(=O)O)CCOC2)CC1 886096560 CULLOUYEXOMADX-HNNXBMFYSA-N 308.334 0.590 0 50 DCAA CCOc1ccc(N2C(=O)C[C@@H](N3CCN(C)CC3)C2=O)cc1 22972212 BFDVTZAKPDALSG-OAHLLOKOSA-N 317.389 0.965 0 50 DCAA Cc1c(C(=O)N2O[C@@H]3C[C@H]2[C@@H](O)[C@H]3O)cnc2ccccc12 2325804068 TYAIJRGNYJQFDA-YJNKXOJESA-N 300.314 0.793 0 50 DCAA CN(CCS(C)(=O)=O)C(=O)c1n[nH]c2ccccc2c1=O 111600157 QMPOXNKEYUCGMS-UHFFFAOYSA-N 309.347 0.040 0 50 DCAA NCCCCNC(=O)c1c(O)c2cccc3c2n(c1=O)CC3 100662909 DYKUSZFECPPJIK-UHFFFAOYSA-N 301.346 0.732 0 50 DCAA biogenic NC(=O)c1cnc2n1CCN(C(=O)COCc1ccccc1)C2 67691262 FIUYARYGBUOWNM-UHFFFAOYSA-N 314.345 0.541 0 50 DCAA COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)CN1CCCNC1=O 247826896 JONGAZJFVXQMFX-XRRVDJEJSA-N 309.366 0.106 0 50 DCAA C[C@H](C(=O)N(C)C)S(=O)(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 248742763 AJFKLRABVXKMAV-KXNHARMFSA-N 304.412 0.340 0 50 DCAA C[C@H]1CN([C@H](C)C(=O)Nc2nccs2)CCS(=O)(=O)C1 249386353 WUWDLFSUKKZICM-VHSXEESVSA-N 317.436 0.837 0 50 DCAA Cc1nn(C)cc1S(=O)(=O)NCCn1cc(Cl)cn1 6527389 FLJVPTDBXQEZJG-UHFFFAOYSA-N 303.775 0.557 0 50 DCAA Nc1nnnn1CC(=O)N1CCCC[C@@H]1CCc1ccccn1 67881004 JJDIFSYIENROEK-CYBMUJFWSA-N 315.381 0.664 0 50 DCAA C[C@@H](NC(=O)c1ccccc1OCC(N)=O)c1cnn(C)c1 119029220 LNKKPBFVLWZHIU-SNVBAGLBSA-N 302.334 0.775 0 50 DCAA CO[C@@H]1CN[C@H](C(=O)N2CCN(Cc3cc(C)no3)CC2)C1 315746839 MSIBUPLJGMWIIB-JSGCOSHPSA-N 308.382 0.004 0 50 DCAA O=C1NC[C@H](C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)N1 72411415 JHHRFFZWZVLSOH-CQSZACIVSA-N 320.368 0.541 0 50 DCAA CCn1ncnc1CN1CCC[C@H](n2cc(C(=O)OC)nn2)C1 253432339 JTCPSDLWKKPOCP-NSHDSACASA-N 319.369 0.513 0 50 DCAA C[C@H]1CNCCN1C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 125781507 ROEOAXGZOSSNLV-MGPLVRAMSA-N 316.361 0.175 0 50 DCAA CCN1CCN(CC(=O)NCCC(=O)NC2CCCCC2)CC1 73008711 FZADJNAFBLJQPA-UHFFFAOYSA-N 324.469 0.579 0 50 DCAA Cn1[nH]c(CN2CCN(Cc3cccc(F)c3)C(=O)C2)nc1=O 329547175 BZAJGOBTYYRPIT-UHFFFAOYSA-N 319.340 0.092 0 50 DCAA C=CC(=O)NCc1ccc(C(=O)N2CCNC(=O)CC2)cc1 490546263 YVYAKGUKTDGAQS-UHFFFAOYSA-N 301.346 0.451 0 50 DCAA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C[C@H]1NC(=O)NC1=O 215348389 HDEABHXXXPPKHS-SECBINFHSA-N 307.354 0.264 0 50 DCAA CSCC[C@H](O)C(=O)NCc1ccccc1-n1cncn1 215829536 HTUIDXFBVQFCRI-ZDUSSCGKSA-N 306.391 0.998 0 50 DCAA CC(=O)N[C@H]1CCCN(C(=O)CN2CC[C@@H](N3CCCC3)C2)C1 245399127 VSXCBFZUXDQQGI-JKSUJKDBSA-N 322.453 0.284 0 50 DCAA CS(=O)(=O)N1CCN(C(=O)Nc2ccn3ccnc3c2)CC1 290772653 SLAKMEMCJDBJIF-UHFFFAOYSA-N 323.378 0.443 0 50 DCAA NC(=O)c1csc(N2CCN(Cc3ccoc3)C[C@H](O)C2)n1 225340150 CNNPGOJWJMKKIJ-NSHDSACASA-N 322.390 0.518 0 50 DCAA CN1[C@H]2C[C@@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1C[C@H]2O 226772544 WTQYWNWRJNXDEG-UVPYHEFZSA-N 305.374 0.902 0 50 DCAA biogenic,in-vitro CNCc1nnc(SCC[C@@H]2CCS(=O)(=O)C2)n1C 426719948 OLEPJKYKQLSKBU-SECBINFHSA-N 304.441 0.451 0 50 DCAA O=C(NCCCc1nn[nH]n1)N1CC[C@H](N2CCCCC2)C1 426734186 XWLGGTSOXQEOMR-LBPRGKRZSA-N 307.402 0.402 0 50 DCAA O=C(Cn1ccnc1)N1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 91769797 OSGOJPUKGFTTKY-UONOGXRCSA-N 312.377 0.801 0 50 DCAA Cc1cnc(CNC(=O)c2cc(S(N)(=O)=O)ccc2F)cn1 95382034 DKNAFQBRUCYJQL-UHFFFAOYSA-N 324.337 0.502 0 50 DCAA CCn1ccc(C(=O)N2CCC3(CC2)[C@@H](O)C[C@H]3O)cc1=O 91643831 LMXGZTRYMIQGQO-BETUJISGSA-N 306.362 0.216 0 50 DCAA COc1ccccc1CCC(=O)N1CCN(C(C)=O)C[C@@H](O)C1 92062189 SHZWJYDYLWTGHN-OAHLLOKOSA-N 320.389 0.679 0 50 DCAA CO[C@@H]1CN(C(=O)c2cn(C)nc2C2CC2)C[C@H]1c1cnn[nH]1 622165682 NSWBQFCQBQOERP-GXFFZTMASA-N 316.365 0.670 0 50 DCAA Nc1n[nH]c(CCNC(=O)[C@@H]2CCCN(c3ccccn3)C2)n1 534654348 DRGHIIKGNGDGOQ-LLVKDONJSA-N 315.381 0.357 0 50 DCAA N=c1nn[nH]n1CC(=O)NCCc1nc2ccccc2s1 534667659 UTUCGTIZCAVOQM-UHFFFAOYSA-N 303.351 0.054 0 50 DCAA Cc1ccn2c(C(=O)N[C@H]3CO[C@@H]4[C@@H](O)CO[C@H]34)c(C)nc2c1 1940195809 ODPKKRBOPFGUME-UOVKNHIHSA-N 317.345 0.208 0 50 DCAA CN1CCC[C@@H](CNS(=O)(=O)c2cc(C(N)=O)cs2)C1 823770608 JNUQARUJVZPVMD-VIFPVBQESA-N 317.436 0.467 0 50 DCAA CN(C)C(=O)c1cccnc1N(C)CCCN1CCOCC1 670467484 AXADHXLRAMUWPH-UHFFFAOYSA-N 306.410 0.942 0 50 DCAA CN(C)CCN(C[C@@H]1CCCO1)S(=O)(=O)c1cn[nH]c1 952984681 LYFZHSPVXATSEF-NSHDSACASA-N 302.400 0.141 0 50 DCAA Nc1ncc(/C=C/C(=O)NCc2cccc(-c3nn[nH]n3)c2)cn1 952978816 SRMCJQNLOQYBSX-SNAWJCMRSA-N 322.332 0.569 0 50 DCAA Cc1cc(C)n2nc(C)c(C(=O)N[C@@H]3CNCC[C@@H]3O)c2n1 1565511623 OQAIIQFCWNMQTJ-NEPJUHHUSA-N 303.366 0.107 0 50 DCAA COc1ccccc1CC(=O)N[C@H]1CCOC[C@@H]1OCC(N)=O 1565510741 YSDVUTSFQHQBQL-JSGCOSHPSA-N 322.361 0.013 0 50 DCAA Cn1nc(C(F)(F)F)cc1C(=O)N1CC[C@](C)(O)[C@H](O)C1 1565515376 JWFRMJDORNDUBK-KOLCDFICSA-N 307.272 0.397 0 50 DCAA CN1CCN(C(=O)c2ccc(O)nc2)C[C@H]1c1nccn1C 276507888 CFVAVZOABMZVGE-LBPRGKRZSA-N 301.350 0.650 0 50 DCAA CCn1ccnc(N2CCC[C@@](O)(C(=O)N3CCCC3)C2)c1=O 408035608 LWHTXFUZKZPBKA-INIZCTEOSA-N 320.393 0.217 0 50 DCAA Cn1cc(NC(=O)CN2CCCC[C@H](O)C2=O)c(C2CC2)n1 644488970 VRTMSAZHXIKVFJ-LBPRGKRZSA-N 306.366 0.609 0 50 DCAA Cn1cccc1C(=O)N1CCC(N2C[C@@H](C(=O)O)CC2=O)CC1 653313554 CMJZQTPOYKCTMA-NSHDSACASA-N 319.361 0.563 0 50 DCAA C[C@H](C(=O)N1CC[C@H](C(=O)O)[C@@H]2CCCC[C@H]21)S(C)(=O)=O 659196870 YGXHCNAUGGTYND-NOOOWODRSA-N 317.407 0.911 0 50 DCAA CN1C(=O)C[C@@H](NC(=O)Cc2ccn(C)n2)[C@@H]1c1cccnc1 583621072 XIWWJTOLMSOYQR-CJNGLKHVSA-N 313.361 0.446 0 50 DCAA C[C@H]1CN(C(=O)CN2CCc3nnc(O)cc3C2)CC(C)(C)O1 1615002419 BLAOKHOQOLYSSO-NSHDSACASA-N 320.393 0.566 0 50 DCAA C[C@@H]1CCN[C@H](C(=O)Nc2cccc(CS(N)(=O)=O)c2)C1 1615055215 JVRGGIQCOKAFHP-MFKMUULPSA-N 311.407 0.802 0 50 DCAA NC(=O)N[C@@H](CO)C(=O)N1CCC(c2cccc(F)c2)CC1 1615590781 PQFJSKLUPGVELQ-ZDUSSCGKSA-N 309.341 0.561 0 50 DCAA Cc1nonc1CC(=O)N1CC2(CCOCC2)CC[C@H]1CO 1615548143 LPIQOSVOXCOSJO-LBPRGKRZSA-N 309.366 0.701 0 50 DCAA Cc1c[nH]c(CN2C[C@]3(C(=O)O)C[C@]3(C(=O)O)C2)c(C)c1=O 1704303216 FTEUFYPDGDXIMR-GASCZTMLSA-N 306.318 0.353 0 50 DCAA Cc1csc(SCC(=O)N2CC[C@](C)(O)[C@H](O)C2)n1 247968367 RFYSCKZIXOJMAQ-SKDRFNHKSA-N 302.421 0.888 0 50 DCAA CC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](CO)(O4)[C@@H]3C2=O)cc1 169693178 PEHNGVCKIJVITR-FHIRATQRSA-N 313.309 0.695 0 50 DCAA COc1cc(CN2CCNC(=O)[C@H]2CC(=O)O)cc(OC)c1 1236589 RXOCYZSKLDMEMZ-CYBMUJFWSA-N 308.334 0.479 0 50 DCAA in-vitro Cc1noc([C@H]2CN(C(=O)C3(O)CCCCC3)CCN2C)n1 332389152 YXHJNQKTPJHPOI-GFCCVEGCSA-N 308.382 0.888 0 50 DCAA Cc1nnc2n1C[C@H](C(=O)N1CCOCC3(CCC3)C1)N(C)C2 644427496 IAJHILMKOHQEOX-CYBMUJFWSA-N 319.409 0.430 0 50 DCAA COCC[C@H](NC(=O)c1ccnc(O[C@@H]2CCOC2)c1)C(=O)O 262241649 AEUGGEQSQCUQDB-NEPJUHHUSA-N 324.333 0.469 0 50 DCAA Cc1cccc(-n2cc(C(=O)N3CCO[C@@H](C(=O)O)C3)nn2)c1 262902279 BPASJKGICRIJEC-CYBMUJFWSA-N 316.317 0.501 0 50 DCAA O=C(NS(=O)(=O)[C@@H]1CCNC1)c1nccc2ccccc12 901109896 IRKHGLQTDZEQMN-LLVKDONJSA-N 305.359 0.656 0 50 DCAA Cc1nsc(C(=O)N2CCN(CC(F)(F)CO)CC2)n1 902988791 UXIUPXBAKUBSLU-UHFFFAOYSA-N 306.338 0.232 0 50 DCAA O=C1CC2(CCN(C(=O)N[C@H]3CCn4ccnc4C3)CC2)CN1 1875263300 MFZWQUWGZJJPFU-LBPRGKRZSA-N 317.393 0.510 0 50 DCAA O=C(O)C[C@@H](NC(=O)[C@H]1CCN(c2ccccc2)C1)C(=O)O 1875323295 DMFGPKDSCQZIAW-CMPLNLGQSA-N 306.318 0.557 0 50 DCAA CS(=O)(=O)NC(=O)CN1CCOc2ccc(Cl)cc21 1875391055 QJLSDQOJOBEENS-UHFFFAOYSA-N 304.755 0.615 0 50 DCAA Cc1cc(N2CCN=C2NCc2nc(C(C)(C)O)n[nH]2)n(C)n1 1875337127 NMIWTOOKBPDOLZ-UHFFFAOYSA-N 318.385 0.040 0 50 DCAA CN1C[C@@H](O)[C@H](CC(=O)NCc2cccc(-c3nc[nH]n3)c2)C1 1875400507 BVKDMQJRNRDWRC-ZIAGYGMSSA-N 315.377 0.401 0 50 DCAA CO[C@@H]1CN(CCN2CCC(C)CC2)C[C@H]1c1cn(C)nn1 886071883 NSHGLTLSDZNWQD-GOEBONIOSA-N 307.442 0.961 0 50 DCAA CN(C)Cc1cc(O[C@@H]2CCN([C@H]3CCN(C)C3=O)C2)ccn1 1775959390 ZDVPXVGHFRFAHU-CVEARBPZSA-N 318.421 0.827 0 50 DCAA Cc1cccc(S(=O)(=O)N2CCO[C@@H](C(=O)O)C2)c1F 313212315 SMHFPQQHVJYORN-SECBINFHSA-N 303.311 0.608 0 50 DCAA NC(=O)C1(N2CCCCC2)CCN(C(=O)N2CCOCC2)CC1 109525 KPCMNOVJNLZPMD-UHFFFAOYSA-N 324.425 0.244 0 50 DCAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)c1ccc3cc[nH]c3n1)C2 2100483925 RKGKUYHDRVCPTE-NEPJUHHUSA-N 314.345 0.492 0 50 DCAA CCn1ncc(C(=O)NC)c1NC(=O)Cc1cn(C)nc1C 2100555340 RJNYUAVJVUFBDL-UHFFFAOYSA-N 304.354 0.486 0 50 DCAA CN(C)CCc1cn(Cc2cc(=O)n3ccc(N)cc3n2)nn1 2325809074 CPRGCUAUCFYDNR-UHFFFAOYSA-N 313.365 0.021 0 50 DCAA COc1cccc(C(=O)N2CCN(C[C@@H]3[C@H]4CNC[C@H]43)CC2)c1 102637554 LAJZJQWDVKPSEP-FVQHAEBGSA-N 315.417 0.918 0 50 DCAA COc1ccccc1OCC(=O)NCCCN1CCN(C)CC1 22933792 JULMTUSBJMWPMT-UHFFFAOYSA-N 321.421 0.828 0 50 DCAA CC(C)C1=NO[C@@H](C(=O)NC2CCN(S(C)(=O)=O)CC2)C1 67755840 JCVOBINDLPZRRX-GFCCVEGCSA-N 317.411 0.328 0 50 DCAA CCO[C@@H]1C[C@@](CO)(NC[C@H](C)CS(C)(=O)=O)C1(C)C 249310985 DRHXEBSFCLXHTE-SCRDCRAPSA-N 307.456 0.823 0 50 DCAA CC1=C(C(=O)N(CCO)Cc2ccccc2)[C@@H](C)NC(=O)N1 65465317 TXWZXPCENBPRDQ-LLVKDONJSA-N 303.362 0.983 0 50 DCAA CCc1nn(C)c(Cl)c1CN1CCN(C)[C@H](C(=O)O)C1 67787031 WTTIABMURHZMSL-NSHDSACASA-N 300.790 0.837 0 50 DCAA CCN1C[C@@H](CN(C)Cc2cn(C3CCNCC3)nn2)CC1=O 23428818 NITBILIOHOIXQC-CYBMUJFWSA-N 320.441 0.503 0 50 DCAA CC(=O)N1CCCn2nc(C(=O)N(C)C[C@@H]3CCCO3)cc2C1 67473032 LRVAMJASYLZKNB-AWEZNQCLSA-N 320.393 0.886 0 50 DCAA CCO[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 252663633 RUJXKWMNQGJHMA-NNYUYHANSA-N 304.412 0.246 0 50 DCAA CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)O 3913936 SCMSYZJDIQPSDI-SRVKXCTJSA-N 314.382 0.532 0 50 DCAA aggregator,biogenic,in-vitro O=C(CN1CCCCCCC1=O)NC[C@H](CO)[C@H]1CCOC1 253427825 AXCIZAMGCPKJQO-UONOGXRCSA-N 312.410 0.540 0 50 DCAA Cc1cc(N)n(CC(=O)N[C@@H]2CCCN(c3cnccn3)C2)n1 214955644 ADQXIROQRDMMDJ-GFCCVEGCSA-N 315.381 0.349 0 50 DCAA CN(CC(=O)O)C[C@H]1CN(CCOc2ccccc2)CCO1 370508781 OBPYJHNIQVCMFF-HNNXBMFYSA-N 308.378 0.783 0 50 DCAA CN(C)c1nc(N2CCC3(CC2)CN[C@H](C(=O)O)C3)ncc1F 91391250 UIHNNKXNGDKARV-NSHDSACASA-N 323.372 0.715 0 50 DCAA C[C@@H](O)CN1CC2(CCC1=O)CCN(Cc1ncc[nH]1)CC2 91416487 ZQUXFIRQXGNASG-CYBMUJFWSA-N 306.410 0.995 0 50 DCAA CC(C)n1cc(C(=O)O)c(=O)c(C(=O)NCC(C)(C)CO)c1 426589004 LXJLSGXWBQJMJF-UHFFFAOYSA-N 310.350 0.876 0 50 DCAA Cc1nc(CCNC(=O)CC[C@@H]2NC(=O)NC2=O)sc1C 91616841 JSYZOOSRZDGUMZ-VIFPVBQESA-N 310.379 0.407 0 50 DCAA CN(C)C[C@@H]1CN(C(=O)CN2CCCCCC2=O)C[C@@H]1CO 91624927 SLCGDQQMNYODRW-ZIAGYGMSSA-N 311.426 0.018 0 50 DCAA COC[C@@H](C)S(=O)(=O)N1CCO[C@@H](c2cnn(C)c2)C1 299754335 UZOYHFPTWQAEPR-ZYHUDNBSSA-N 303.384 0.158 0 50 DCAA C[C@@H]1N(C(=O)NCc2cn([C@H]3CCNC3)nn2)CCOC1(C)C 627230329 HZJNRWUAWKBRAC-AAEUAGOBSA-N 322.413 0.521 0 50 DCAA CNS(=O)(=O)CCNC(=O)Nc1cc(C(C)(C)C)nn1C 299784194 ZICVSOCRSPCAPN-UHFFFAOYSA-N 317.415 0.388 0 50 DCAA Cc1n[nH]c(C2CCN(C(=O)CN3CC[C@@H](N(C)C)C3)CC2)n1 299774657 HPGJWHTZEPSFFC-CQSZACIVSA-N 320.441 0.455 0 50 DCAA COC[C@@H]1CCCN1S(=O)(=O)NCCn1cnc(C)c1C 824370959 GEODVAHXTPWIPD-ZDUSSCGKSA-N 316.427 0.445 0 50 DCAA C[C@@H]1CN(S(=O)(=O)CCCC(=O)O)C[C@]2(CCOC2)O1 575865036 IHRSLFAIUYXWKU-PWSUYJOCSA-N 307.368 0.061 0 50 DCAA Cc1ncsc1C(=O)N1C[C@H](Cc2cnccn2)[C@@H](O)C1 1613881779 GKXKMHLBRUFQIZ-JQWIXIFHSA-N 304.375 0.917 0 50 DCAA CN(CCn1cccn1)C(=O)[C@@H]1CNC[C@H]1c1cn(C)cn1 1614996116 ZNHFCFDMFFIAMR-CHWSQXEVSA-N 302.382 0.078 0 50 DCAA NC(=O)c1cccc(OCC(=O)N2CCC3(CCNCC3)C2)c1 1615046067 UEKXEUJWOHUMQO-UHFFFAOYSA-N 317.389 0.766 0 50 DCAA COc1cnc(C)cc1C(=O)NCCN(C)S(C)(=O)=O 1857681425 DSEMILIQTHQVPY-UHFFFAOYSA-N 301.368 0.020 0 50 DCAA Cc1nncn1CCN1CCCN(C(=O)[C@H]2CCOC2)CC1 1772711476 ZEYPELJQXDAYLK-AWEZNQCLSA-N 307.398 0.157 0 50 DCAA CC1=NN(CC(C)C)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C 5147990 XZSOWZBRDJQUGU-JTQLQIEISA-N 318.381 0.847 0 50 DCAA CCNCc1ccc(OC[C@H](O)CN2CCOCC2)c(OC)c1 12050113 HQGNRFNXIXHRJM-OAHLLOKOSA-N 324.421 0.877 0 50 DCAA CCOC(=O)c1c(C)[nH]c(C(=O)N2C[C@@H]3C[C@H]2C(=O)N3)c1C 1857679259 QRILKYWEXMHEKP-UWVGGRQHSA-N 305.334 0.521 0 50 DCAA CC(=O)c1[nH]c(C)c(C(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3)c1C 1857714901 RMHCOAVBZSJIDT-NEPJUHHUSA-N 319.361 0.421 0 50 DCAA C[C@H]1CNCCN1C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1 125446160 ZJPCCHUDMBDWRK-NSHDSACASA-N 302.378 0.999 0 50 DCAA O=C1NC[C@H]2CN(c3ncc(Cl)cc3Cl)CCN2C1=O 225822010 SNERJYUJPYPSEB-QMMMGPOBSA-N 315.160 0.535 0 50 DCAA CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1nccc2ccccc12 617880068 KFSDANWGMXCUNR-STQMWFEESA-N 320.370 0.777 0 50 DCAA Cc1nn(CC(=O)N2C[C@H](O)C[C@@H]2c2ccccc2)c(=O)o1 640410551 PTFXFFZVAICMRQ-CHWSQXEVSA-N 303.318 0.479 0 50 DCAA C[C@H]1OCCN[C@@H]1C(=O)N1C[C@@H](CN)[C@H](c2ccccc2)C1 262078516 CFSUWHLFWWWEHQ-OJLVUWQFSA-N 303.406 0.564 0 50 DCAA Cn1ncc(CNC(=O)[C@@H]2C[C@@]2(C(=O)O)c2ccccc2)n1 905115946 UDDMFMXJGZCAMP-SWLSCSKDSA-N 300.318 0.474 0 50 DCAA Cn1ccc(C(=O)NC[C@H](C(=O)O)C2CCOCC2)cc1=O 864144753 FARGTTABMIRIEV-LBPRGKRZSA-N 308.334 0.243 0 50 DCAA C[C@H](OC(=O)Cn1cnc2sccc2c1=O)C(=O)N1CCC1 1875287256 BJFHHIWIGXSRSR-VIFPVBQESA-N 321.358 0.622 0 50 DCAA CC(C)(C(=O)N1CCC2(CC1)C[C@@H]2C(=O)O)S(C)(=O)=O 262425184 LNVWLEBEVCACRS-SECBINFHSA-N 303.380 0.523 0 50 DCAA 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Cc1nc2n(n1)[C@@H](C(=O)Nc1ccc3c(c1)OCO3)CC(=O)N2 13552435 HLZZOKWFSOXQMF-SECBINFHSA-N 315.289 0.837 0 50 DCAA CN1C(=O)c2ccc(C(=O)NCCCn3ccnc3)cc2C1=O 4810585 IZNNFLDOBDAXIR-UHFFFAOYSA-N 312.329 0.929 0 50 DCAA Cn1cc(-n2nc(CC(N)=O)nc2[C@H]2C[C@@H]3CC[C@H]2O3)cn1 1857727744 YSKLOBVZNZCUAH-GARJFASQSA-N 302.338 0.064 0 50 DCAA CCO[C@@]1(C)C[C@H]1NC(=O)c1ccnc(N2CCOCC2)n1 628831198 BDYAYVLTLRIZAN-DOMZBBRYSA-N 306.366 0.611 0 50 DCAA Cc1oc(C(=O)N2CCC[C@@](C)(O)CC2)cc1S(N)(=O)=O 331687402 WEKQQHQIZYECEI-CYBMUJFWSA-N 316.379 0.613 0 50 DCAA C[C@H]1CCCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)[C@@H]1CN 252221827 ZFNSSXARUWLNLF-UMSGYPCISA-N 305.444 0.400 0 50 DCAA CC1(C)[C@H](CN)C[C@H]1NC(=O)c1ccn(CCn2cccn2)n1 2325800098 PAOMKKGIJOIFKS-GXTWGEPZSA-N 316.409 0.883 0 50 DCAA O=C(CCCn1cccn1)N[C@@H]1CC[C@H](c2nc(=O)o[nH]2)C1 2325821923 MCKJVYARVCVNOZ-WDEREUQCSA-N 305.338 0.792 0 50 DCAA CCn1ncc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1C 2804765 HAPIRICUOXBGMU-UHFFFAOYSA-N 314.411 0.822 0 50 DCAA Cc1c([C@@H](C)NC(=O)Cn2cnnn2)cnn1-c1ccccn1 12306723 UVZZUAJWNFDXKR-SNVBAGLBSA-N 312.337 0.440 0 50 DCAA COC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccc(OC)c(C)c2)CN1C 65399091 QQZQSRXDUXPKPK-KBPBESRZSA-N 320.389 0.908 0 50 DCAA O=S1(=O)CC[C@@H](CNS(=O)(=O)NCc2ccccc2)C1 71752648 AGXLNOXLFKJGAI-LBPRGKRZSA-N 318.420 0.045 0 50 DCAA O=C(c1ccc(-c2nc[nH]n2)cc1)N1CCC[C@](O)(CO)C1 72120663 IEPIPVQLDFDALR-OAHLLOKOSA-N 302.334 0.431 0 50 DCAA Cc1cccc2nc(C(=O)N3CC[C@@](O)(CN(C)C)C3)cn12 72121783 HVCHVYKTZUGOOM-MRXNPFEDSA-N 302.378 0.781 0 50 DCAA O=C(O)[C@@H]1c2[nH]cnc2CCN1C(=O)CCN1CCCCC1 72418202 NRHKIFSGAPOXRO-AWEZNQCLSA-N 306.366 0.796 0 50 DCAA O=C(CCO)N1CC[C@@H]2[C@@H](CCC(=O)N2CC2CCNCC2)C1 72462877 WQHGHDXBRINJNR-LSDHHAIUSA-N 323.437 0.208 0 50 DCAA COCCc1nc(CNC(=O)c2c(C)cc(C)[nH]c2=O)no1 91364691 LWXAQWWLKCQMLZ-UHFFFAOYSA-N 306.322 0.494 0 50 DCAA Cc1nccnc1CN1C[C@H](C(C)C)[C@@H](NS(C)(=O)=O)C1 92045553 NNCBPFIHXVWIMO-OCCSQVGLSA-N 312.439 0.791 0 50 DCAA Cc1cccc2nc(C(=O)N3CC[C@@H](CO)[C@@H](O)C3)c(F)n12 215512360 NGVCSYDJRUVMMQ-QWRGUYRKSA-N 307.325 0.597 0 50 DCAA Cn1cc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)ccc1=O 222293010 LLWQFQUBLIKNFA-KGLIPLIRSA-N 306.362 0.699 0 50 DCAA Cc1nc(N)sc1C(=O)NCC1(CN2CCN(C)CC2)CC1 244899931 ZTEIARHJANFASG-UHFFFAOYSA-N 323.466 0.791 0 50 DCAA O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cn[nH]c1 253414716 YIOGCNPZCTYDGO-GFCCVEGCSA-N 313.317 0.879 0 50 DCAA biogenic CCOc1cc(C(=O)NC(C)(CO)CO)cc(Cl)c1O 274976582 WTDNAHDLDWVOBS-UHFFFAOYSA-N 303.742 0.917 0 50 DCAA Cn1cc(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)nn1 290108023 KWEXUYQRZMGVAR-LBPRGKRZSA-N 317.324 0.485 0 50 DCAA NC(=O)c1ncn([C@@H]2CCCN(C(=O)C[C@@H]3CCCCO3)C2)n1 299739126 KWESRHSRSSPEQI-NEPJUHHUSA-N 321.381 0.500 0 50 DCAA COc1ccc2c(c1)OC[C@@H](C(=O)N1CCO[C@@H](C(=O)O)C1)C2 299749913 LZZAASBPYJJHRU-SMDDNHRTSA-N 321.329 0.558 0 50 DCAA O=C(NC[C@H]1CC(=O)N(C2CCCC2)C1)c1cnc(O)cn1 299774492 JLCLWYROZDBKPX-SNVBAGLBSA-N 304.350 0.703 0 50 DCAA COCc1noc(CN2CCN(Cc3cncn3C)CC2)n1 333488689 ULQRTUQROHPIDZ-UHFFFAOYSA-N 306.370 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O=C(O)[C@H]1Cc2[nH]cnc2CN1C(=O)Cc1ccc(O)c(F)c1 95498691 HEFMSGZIENBJFG-GFCCVEGCSA-N 319.292 0.835 0 50 DCAA O[C@@H]1[C@@H](Nc2ccc(Br)cc2)OC[C@@H](O)[C@@H]1O 239433334 XNRPWNFGHKJOMI-RCWTZXSCSA-N 304.140 0.300 0 50 DCAA CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cn2cccnc2n1 97528098 QHHJYOSVWDTKEJ-ZDUSSCGKSA-N 317.393 0.912 0 50 DCAA Cc1nc(N(C)C)ncc1C(=O)NCCN1CCC[C@@H](CO)C1 97437026 KHULDBYYCBDPKD-CYBMUJFWSA-N 321.425 0.285 0 50 DCAA O=C1C[C@H](c2ccccc2)N(C(=O)CCn2cncn2)CCN1 299109011 XDZROGCTMBYPQJ-CQSZACIVSA-N 313.361 0.758 0 50 DCAA CN1CCN(CC2(CNc3ncccc3C(N)=O)CC2)CC1 534592729 GOPMVRGRLNCWAH-UHFFFAOYSA-N 303.410 0.620 0 50 DCAA CN(C)C(=O)c1ccc(CNC(=O)CCCn2cnnn2)o1 299761753 YWKQVICFRDCFCL-UHFFFAOYSA-N 306.326 0.065 0 50 DCAA CN1CCC(O)(CN[C@@H]2CCC(=O)N(CC3CC3)CC2)CC1 584886967 RIOJKZKNZDRHEE-OAHLLOKOSA-N 309.454 0.824 0 50 DCAA CCc1nn(C)c2c(=O)n(CC(C)(C)N3CCOCC3)cnc12 584901042 WWHJKUFLTSKFQW-UHFFFAOYSA-N 319.409 0.803 0 50 DCAA CN(C)C[C@@H]1COCCN(C(=O)CCN2CCCCC2=O)C1 670459219 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0.796 0 50 DCAA COCCn1ncc2c1[C@@H](NC(=O)c1cn(C)c(O)n1)CCC2 1615557474 KPKNMXYNWRIAMD-NSHDSACASA-N 319.365 0.776 0 50 DCAA COc1cccc(OCC(=O)N2CC[C@]3(CNC(=O)CO3)C2)c1 1772809364 UZMMCFKKKVMVFI-INIZCTEOSA-N 320.345 0.192 0 50 DCAA CCC[C@@]1(CO)CN(C(=O)CCc2ccc(O)nn2)CC[C@@H]1O 1857734638 YFKBFBIYRJHVAE-BBRMVZONSA-N 323.393 0.487 0 50 DCAA Cn1cccc(CN2CC[C@@H](O)[C@](CC3CC3)(C(=O)O)C2)c1=O 1875247528 NYBWGQBMTMUZIM-RHSMWYFYSA-N 320.389 0.823 0 50 DCAA CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@@H](N)C3)cc21 115959990 ZAKMJEMKMBQPTF-CYBMUJFWSA-N 323.418 0.707 0 50 DCAA CS(=O)(=O)c1ccc(CNc2nc(N)nc3nc[nH]c23)cc1 319454129 SURIQRKUIAMROU-UHFFFAOYSA-N 318.362 0.951 0 50 DCAA CNC(=O)Cc1noc(CN[C@H]2CCc3ccccc3OC2)n1 374673328 XBUKTUFOPBNOOX-LBPRGKRZSA-N 316.361 0.842 0 50 DCAA CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@H]1CCCS1(=O)=O 584479881 KRGGYBJEQMJCPS-GFCCVEGCSA-N 311.359 0.920 0 50 DCAA Cc1nc2sccc2c(=O)n1NC(=O)[C@H]1CN(C)C[C@H](C)O1 901576066 VPXGAKJZJZHIMR-GZMMTYOYSA-N 322.390 0.556 0 50 DCAA NC(=O)c1cn([C@H]2CCN(C[C@H](O)c3ccc(F)cc3)C2)nn1 818324785 OOEGPTRQMFFJRF-JSGCOSHPSA-N 319.340 0.497 0 50 DCAA CNC(=O)c1n[nH]c(C2CCN(C(=O)[C@H]3CC3(C)C)CC2)n1 818481137 YRFMYLBWTGIDMY-SNVBAGLBSA-N 305.382 0.916 0 50 DCAA CN1CCCC[C@@H](CNC(=O)N2CC[C@](O)(c3cnn[nH]3)C2)C1 858766841 UWYBFWLKPBHKTF-SWLSCSKDSA-N 322.413 0.140 0 50 DCAA C[C@@H]1CCCCN1C(=O)NC1CCN(S(N)(=O)=O)CC1 917772039 MWLKENYIQZFZLA-SNVBAGLBSA-N 304.416 0.238 0 50 DCAA CCN(C[C@@H](C)O)C(=O)N=c1ncn(Cc2ccccc2)[nH]1 2325742101 RCOZYBDRSFBHKG-GFCCVEGCSA-N 303.366 0.983 0 50 DCAA O=C(CCCn1cncn1)N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 2325785570 DXFJWPAXJAQUIQ-MGPQQGTHSA-N 318.381 0.211 0 50 DCAA NC1(C(=O)NS(=O)(=O)c2ccc(OC(F)F)cc2)CC1 2325791950 LTFRYHOWMYOYNN-UHFFFAOYSA-N 306.290 0.584 0 50 DCAA CC(C)[C@@H](O)CNC(=O)C(=O)N=c1cc(C2CCCC2)n(C)[nH]1 2325795977 JBOWMGRSFKCPEI-ZDUSSCGKSA-N 322.409 0.571 0 50 DCAA Cc1cnc2n1[C@H](C(=O)N1CC[C@@H](N(C)CCO)[C@H]1C)CCC2 2325804744 NRDGVEWHBXDRPO-KFWWJZLASA-N 320.437 0.982 0 50 DCAA O=C(Cc1cccc(OCc2nn[nH]n2)c1)N1CC[C@H](F)C1 2325806705 BEQCZXCPYRBKNS-NSHDSACASA-N 305.313 0.892 0 50 DCAA Cc1ncc(S(=O)(=O)NC(=O)[C@@H](N)C[C@H]2CCOC2)s1 2325868839 MXFNIAQOSGFBHG-BDAKNGLRSA-N 319.408 0.010 0 50 DCAA O=C1CCC[C@H](C(=O)NCCN2C(=O)c3ccccc3C2=O)N1 225663459 TYAWMEHJKSIWHN-GFCCVEGCSA-N 315.329 0.068 0 50 DCAA CNC(=O)C[C@@H]1C(=O)NCCN1Cc1cc2ccccc2[nH]1 67851098 LEICAPRDWHZHLZ-CQSZACIVSA-N 300.362 0.604 0 50 DCAA Cn1cc(N2CC[C@@H](Nc3cc(=O)n4ccccc4n3)C2=O)cn1 117867483 BXWYASYEEIYDLA-GFCCVEGCSA-N 324.344 0.645 0 50 DCAA CC(=O)NCCNS(=O)(=O)c1cnn(Cc2ccccc2)c1 119898234 GLSPSAWYNMOQIN-UHFFFAOYSA-N 322.390 0.346 0 50 DCAA O=C1CSCN1CC(=O)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 331532883 LRRQYUOVOKRTSN-OLZOCXBDSA-N 324.377 0.993 0 50 DCAA NC(=O)C1(O)CCN(C(=O)c2cccc(-n3cccc3)c2)CC1 323876026 BMQNHWIZUCUAAB-UHFFFAOYSA-N 313.357 0.930 0 50 DCAA COCCN(C)[C@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@@H]1O 72476205 UTUNVTLGWJNXJC-GJZGRUSLSA-N 320.389 0.385 0 50 DCAA Cn1ccc(N2CC[C@@H](N(CCO)Cc3cccnc3)C2=O)n1 362804229 CMOQRHFDQVCFDY-CQSZACIVSA-N 315.377 0.415 0 50 DCAA CCN(C)S(=O)(=O)N[C@H]1COc2c(cccc2OC)C1 72709561 TWGZZTKUJUUHRX-LLVKDONJSA-N 300.380 0.785 0 50 DCAA CN1CCN(CC(=O)NC2(Cc3ccc(F)cc3)CC2)CC1=O 333963418 NWXHNYXRTBHGHW-UHFFFAOYSA-N 319.380 0.791 0 50 DCAA O=C(c1cc(N2CCc3n[nH]cc3C2)ccn1)N1CCOCC1 72152924 WQWBHCWLDGMBDO-UHFFFAOYSA-N 313.361 0.840 0 50 DCAA O=C(O)C[C@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)CCO1 261737717 NPHSIMODDVVRPF-LBPRGKRZSA-N 316.317 0.583 0 50 DCAA O=C(O)C[C@@H]1CNCCN(C(=O)c2cccc3c2OCC3)C1 71748368 WUDHCSWCMWQUAL-LLVKDONJSA-N 304.346 0.758 0 50 DCAA Cc1cc(C)c2nonc2c1S(=O)(=O)N[C@@H]1CC[C@@H](N)C1 71745615 STMKQDUPZIYNKV-NXEZZACHSA-N 310.379 0.998 0 50 DCAA CN(Cc1cc(-c2cccnc2)no1)C[C@]1(O)CNCCOC1 77406776 HIYKZSFDCMQWGL-MRXNPFEDSA-N 318.377 0.519 0 50 DCAA O=C(NCc1ccncc1)[C@@H]1CN(c2ncc(F)cn2)CCN1 72154149 WRHYUIJRHNYWOT-ZDUSSCGKSA-N 316.340 0.105 0 50 DCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cnc3ccccc3n2)C1 284593810 MOFHSSLDSNSZAH-ZANVPECISA-N 300.318 0.345 0 50 DCAA Cc1occc1C(=O)NCCS(=O)(=O)N1CCSCC1 337186526 UCBUCOBLUDTVBT-UHFFFAOYSA-N 318.420 0.696 0 50 DCAA O=C(NCc1cc2n(n1)CCNC2)c1ccc2nccnc2c1 82120321 PMXRDVDTXQMOGC-UHFFFAOYSA-N 308.345 0.860 0 50 DCAA O=C(O)CNC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O 49544029 AKVCGMFNXIBPTJ-UHFFFAOYSA-N 305.265 0.250 0 50 DCAA COCCOCC(=O)N[C@@H]1CCCCN(C(=O)N(C)C)C1 82097797 FSPZLYDXEJVGMK-GFCCVEGCSA-N 301.387 0.302 0 50 DCAA CC1=C(C(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)SC2=NCCN21 222996976 BVJYMFUSDZWICY-CQSZACIVSA-N 322.390 0.689 0 50 DCAA Cc1nnnn1Cc1ccc(C(=O)NCCN2CCCC2)cc1 97766497 ZIBPFDCKMVHTGI-UHFFFAOYSA-N 314.393 0.855 0 50 DCAA O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1c[nH]c(=O)[nH]1 252537215 KSNNQOFVOIPBPC-TUAOUCFPSA-N 302.334 0.210 0 50 DCAA Cc1c(C(=O)N2C[C@H]3CC[C@@H](C2)NC3)cnc2cc(O)nn12 534581841 BVKRLHHRWNOPJQ-QWRGUYRKSA-N 301.350 0.567 0 50 DCAA Cc1ccc([C@H](CNC(=O)CNC(=O)N(C)C)N(C)C)cc1 299767594 MCUXYXHGYLGWKE-AWEZNQCLSA-N 306.410 0.985 0 50 DCAA C[C@@H](CCC(=O)NC1CCS(=O)(=O)CC1)N1CCCC1 821746087 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0.276 0 50 DCAA CC(C)c1cc(C(=O)N[C@H]2CCOC[C@@H]2OCC(=O)O)on1 1565516804 QWHWLHMXFAONNB-CABZTGNLSA-N 312.322 0.787 0 50 DCAA Cn1nc(C(F)(F)F)cc1CS(=O)(=O)c1ncnn1C 899484709 WCQLDSLQEXZDEK-UHFFFAOYSA-N 309.273 0.541 0 50 DCAA COc1cnc(C(=O)N2C[C@H](N3CCOCC3)C[C@H]2C)nc1 583646726 HHCDUKAIRLDOOO-VXGBXAGGSA-N 306.366 0.420 0 50 DCAA CN(C)C(=O)Cn1nc(Br)c(Br)n1 585086757 IWHBKEKGLVSMNT-UHFFFAOYSA-N 311.965 0.891 0 50 DCAA CCc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)O)cc1 643430668 DKOJHYVSPHLRKD-GFCCVEGCSA-N 311.359 0.573 0 50 DCAA CCN1C[C@@H](C(=O)N2CC(=O)N(CC)C2)[C@H](c2cn(C)cn2)C1 1614996094 YRGGZJCAYGVHSH-CHWSQXEVSA-N 319.409 0.104 0 50 DCAA c1ncn(CCN2CCN(Cc3ccn4nccc4c3)CC2)n1 1775984062 YMBZERILDKNXCQ-UHFFFAOYSA-N 311.393 0.744 0 50 DCAA O[C@H](CNCCc1ccccc1)COCCCN1CCOCC1 5092974 BPUNQXFFARECOO-GOSISDBHSA-N 322.449 0.919 0 50 DCAA CN(C)C[C@@]1(O)C2CN3CCN(C2)CC1(c1ccccc1)C3 19773779 KPNOGINVJNKHKQ-DAWZGUTISA-N 301.434 0.478 0 50 DCAA Cn1cc(CN2CC[C@H]3[C@@H]2CC(=O)N3C2CCOCC2)cn1 1857683035 QDZNCVUFPUBKNX-GJZGRUSLSA-N 304.394 0.774 0 50 DCAA c1cnc(N2CCN([C@@H]3CCOC4(CCNCC4)C3)CC2)cn1 1857690441 CTIJYTHLUXZHAZ-OAHLLOKOSA-N 317.437 0.900 0 50 DCAA CO[C@@H]1CC[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@H]1N 1857717514 WTSNELDIRJNDOR-RRFJBIMHSA-N 318.421 0.873 0 50 DCAA OC[C@H]1O[C@H](Oc2cccc3ccccc23)[C@@H](O)[C@H](O)[C@H]1O 1464252 CVAOQMBKGUKOIZ-LEOABGAYSA-N 306.314 0.019 0 50 DCAA biogenic O=C(NCc1cccc2c1CCOC2)N1CC[C@@H](O)[C@@H](CO)C1 637698745 JGJKPLGIOWHBMB-GDBMZVCRSA-N 320.389 0.644 0 50 DCAA CNC(=O)[C@]1(COC)CCCN1Cc1cnc(N(C)C)nc1 643764849 GNDOJAHIHRHCDJ-OAHLLOKOSA-N 307.398 0.270 0 50 DCAA COCCOc1cc(C(=O)N2CCNC(=O)C[C@H]2C)ccn1 373198415 PFPMDPPAIXTKKE-LLVKDONJSA-N 307.350 0.457 0 50 DCAA CCOC(=O)Cn1ncc(I)c1C=O 1857780778 OTTLMVSFYLJGII-UHFFFAOYSA-N 308.075 0.863 0 50 DCAA N[C@@H]1CS(=O)(=O)[C@H]2CN(c3ncnc4c(F)cccc34)C[C@@H]12 2325772713 UEPIXAAHXIFPQN-WCQGTBRESA-N 322.365 0.329 0 50 DCAA CCN(CC(=O)NCCOC)S(=O)(=O)c1ccc(C)cc1 2872166 LWIMHNYUCAZZGT-UHFFFAOYSA-N 314.407 0.768 0 50 DCAA CCN1CCN(CCOc2cccc(C(C)=O)c2)C(=O)C1=O 33359723 YANRLCZVMDHOIV-UHFFFAOYSA-N 304.346 0.959 0 50 DCAA CS[C@H]1O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 44069095 JOLBZRHXWOHZNS-MCNNAKBESA-N 320.363 0.889 0 50 DCAA in-vitro CC(C)[C@H](Cn1ccnc1)NC(=O)CN1CCCN(C)CC1 65372441 HXYXMUFPPFKAAE-HNNXBMFYSA-N 307.442 0.661 0 50 DCAA CN(C)Cc1ccc(C(=O)N2C[C@@H]3CN(C)C[C@]3(C(=O)O)C2)o1 65395716 MHISDEFAJDBBIV-ZBEGNZNMSA-N 321.377 0.430 0 50 DCAA CNC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1nc(C(C)C)cs1 67713275 MNLMGOQPTKYZHJ-SNVBAGLBSA-N 324.406 0.343 0 50 DCAA CC(C)NC(=O)[C@@H]1C[C@@H](N)CN1Cc1ccc2c(c1)OCCO2 67805403 JFZYGAZXLOWYCC-KGLIPLIRSA-N 319.405 0.884 0 50 DCAA CNCCN1C(=O)CC[C@H]2CN(c3ncc(F)cn3)CC[C@H]21 72430548 VIXWDARZJJHZQB-WCQYABFASA-N 307.373 0.652 0 50 DCAA CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cnc(C)[nH]c1=O 91605071 DTFGFXKHZWDVCD-GFCCVEGCSA-N 306.366 0.551 0 50 DCAA CCCc1nnc(N2CCN(CCN3CCOCC3)CC2)o1 95352446 KYPIBWNAADUNKO-UHFFFAOYSA-N 309.414 0.476 0 50 DCAA O=C(Cc1ccoc1)NCCN1CCN(c2ncccn2)CC1 120117636 KEXOHDVARXOLJQ-UHFFFAOYSA-N 315.377 0.551 0 50 DCAA Nc1c(NC[C@@H]2CN(C3CC3)CCO2)ncnc1-n1cccn1 163103623 HBFKQIZYCLAVJI-GFCCVEGCSA-N 315.381 0.520 0 50 DCAA CS(=O)(=O)NCC[C@H]1CCCCN1C[C@H](O)C(F)(F)F 185191612 XONZZJOCDZPDPA-ZJUUUORDSA-N 318.361 0.703 0 50 DCAA CNS(=O)(=O)CCNC(=O)c1csc(-c2ccoc2)n1 188970348 BSMLUPAARXXMGW-UHFFFAOYSA-N 315.376 0.682 0 50 DCAA CCN(CC)C(=O)[C@H]1CCCN(C(=O)c2nc[nH]c2C(=O)O)C1 215332980 OIDVDMYRGCVONB-JTQLQIEISA-N 322.365 0.829 0 50 DCAA O=C(Cn1ccnc1)N[C@@H]1CCOC[C@H]1OCc1cscn1 220213160 INPOPOPXFUWDQM-CHWSQXEVSA-N 322.390 0.830 0 50 DCAA CC(C)[C@@H](NC(=O)CCN1CCN(C)CC1)c1nccn1C 222378981 GQYSJGWHDCSELW-OAHLLOKOSA-N 307.442 0.871 0 50 DCAA Cn1cncc1CNC[C@@H](O)COc1ccc2c(c1)OCO2 237931916 XBOGZNMQRFLBPM-GFCCVEGCSA-N 305.334 0.678 0 50 DCAA COCCN(CC(=O)Nc1ccn(C)n1)Cc1nccs1 244882788 XZAIXJZZONDLOZ-UHFFFAOYSA-N 309.395 0.964 0 50 DCAA Cc1cc(OCC(=O)O)ccc1NC(=O)[C@H](C)S(C)(=O)=O 262981901 NDKNEWABEYRBDD-VIFPVBQESA-N 315.347 0.830 0 50 DCAA CNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)O)C2)cc1 269165006 DWLMEACGVUKBBX-SNVBAGLBSA-N 312.347 0.141 0 50 DCAA O=C(O)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)C1 299745467 ZJIVNBZCNBWQQV-NEPJUHHUSA-N 317.345 0.363 0 50 DCAA Cc1nn(CC(=O)N2CCOC[C@H]2C(=O)O)c(C)c1Cl 299751241 QABPLJNWNGMHRU-VIFPVBQESA-N 301.730 0.465 0 50 DCAA CN(CC1CC1)C[C@@H]1CN(C(=O)Nc2ccn(C)n2)CCO1 328648923 UUPAASLNBHBWKM-CYBMUJFWSA-N 307.398 0.995 0 50 DCAA C[C@H]1CC(=O)NCCN1C(=O)c1ccc(N2CCNC2=O)cc1 371003568 BNIDQXDYXZGADX-NSHDSACASA-N 316.361 0.567 0 50 DCAA Cc1ccc(C(=O)NCCN2CCNC2=O)cc1OCCN 426599032 XHNVVLKXQLVMNS-UHFFFAOYSA-N 306.366 0.088 0 50 DCAA Cc1nnc(CN(C)CC(=O)N2CCC[C@@H](C)[C@H]2CN)n1C 429159832 RPFAUGLAEOCWPD-DGCLKSJQSA-N 308.430 0.141 0 50 DCAA CS(=O)(=O)NCC(=O)NCC1(COc2ccccc2)CC1 534658837 OWKGUQZRTXMXEL-UHFFFAOYSA-N 312.391 0.511 0 50 DCAA C[C@H](COCC(=O)NC1(CO)CCSCC1)N1CCCC1 585121307 LMZSXERCKMIITR-CYBMUJFWSA-N 316.467 0.862 0 50 DCAA CCc1c(C(=O)N2C[C@@H](OC)[C@H](c3cnn[nH]3)C2)ccn1C 622165672 NGWJZXQVWSNGTJ-SMDDNHRTSA-N 303.366 0.960 0 50 DCAA COc1cncc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[nH]2)c1C 632865487 KIRPDCMGLULJFJ-NSHDSACASA-N 316.365 0.917 0 50 DCAA CNC(=O)[C@@]1(COC)CCCN1C(=O)c1cc(C2CC2)no1 643947551 ZCJORDHQUAQPSZ-HNNXBMFYSA-N 307.350 0.919 0 50 DCAA CCS(=O)(=O)N1CCC[C@@H](CNC(=O)c2ccon2)C1 823413098 ZVSHCQPZVFPLAI-JTQLQIEISA-N 301.368 0.466 0 50 DCAA NC(=O)Cc1nc([C@H]2CCCC[C@H]2C(=O)N2CCCC2)n[nH]1 826842480 VWDJEWVTNKOJJN-WDEREUQCSA-N 305.382 0.729 0 50 DCAA COc1cccc(C(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)c1O 863947755 DZSUJIGRKFYXPM-WCQYABFASA-N 307.394 0.765 0 50 DCAA Cn1nnnc1N1CC[C@@H](c2cc(O)nc(N3CCCC3)n2)C1 864311485 IRNXJOUGJXKUOB-SNVBAGLBSA-N 316.369 0.300 0 50 DCAA CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)N2CCOCCN2)C1 874435097 LKPJNPMZBUPHCY-LLVKDONJSA-N 314.386 0.542 0 50 DCAA CN(Cc1nc(=O)o[nH]1)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 880386948 BVEPNOTYCOGIBB-VIFPVBQESA-N 308.338 0.112 0 50 DCAA CCc1ncc(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)s1 885303252 NAILJNBFLNXVOO-QMMMGPOBSA-N 303.409 0.456 0 50 DCAA O=C(O)CN(CCc1ccccc1)C(=O)CN1CCOCC1 887557296 GZFUZKKKOBVYQK-UHFFFAOYSA-N 306.362 0.475 0 50 DCAA O=C(NCc1cnn(CCF)c1)N[C@@H]1CCc2n[nH]cc2C1 893717725 XOSNRBKZINNOJN-GFCCVEGCSA-N 306.345 0.932 0 50 DCAA O=S(=O)(c1cnc2n1CCCC2)N1CCC2(CCNC2)CC1 903500313 UVXYWHGQWIPNOQ-UHFFFAOYSA-N 324.450 0.984 0 50 DCAA CC(C)NC1(CO)CCN(C(=O)CNC(=O)C(C)(C)C)CC1 908589346 PYCYMFJWFYHFLT-UHFFFAOYSA-N 313.442 0.500 0 50 DCAA CC[C@H]1C(=O)NCCCN1S(=O)(=O)c1c(C)cnn1C 922017378 XJCMDAHYUNXFFB-JTQLQIEISA-N 300.384 0.018 0 50 DCAA CO[C@@H]1C[C@H](CNC(=O)c2conc2C)N(c2ccncn2)C1 952887929 WRYUJWIRWFFHEL-VXGBXAGGSA-N 317.349 0.797 0 50 DCAA Cc1nnc(CNC(=O)N2CCC[C@@H](c3nc(O)n[nH]3)C2)o1 1413710446 VQYNAGFYJMVWTH-MRVPVSSYSA-N 307.314 0.291 0 50 DCAA CC(=O)N1CC[C@@]2(O)CCN(Cc3nnc(C)s3)C[C@H]2C1 1565525228 INRVGWBPSFHITN-JSGCOSHPSA-N 310.423 0.652 0 50 DCAA C[C@@H](Cn1cncn1)NS(=O)(=O)c1cnn2ccccc12 1662025952 JTEQFFZDZXCTOI-JTQLQIEISA-N 306.351 0.293 0 50 DCAA COc1nc(N2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)ncc1F 1704300558 YUVBLEVFGKBGCU-BXKDBHETSA-N 307.329 0.696 0 50 DCAA CCSCC(=O)N[C@@]1(C)CC2(CCNCC2)OC[C@@H]1O 1704302112 CRPMTOVUGAMKAK-AAEUAGOBSA-N 302.440 0.518 0 50 DCAA Cc1cc(C)n(CCNC(=O)[C@@H]2CC3CCN2CC3)c(=O)n1 1775979436 IFFITFJJFJNQNU-AWEZNQCLSA-N 304.394 0.461 0 50 DCAA O=C(O)CN1C[C@@H]2OCCC(=O)N(Cc3ccccc3)[C@H]2C1 1857727248 NVXXDXUDTLTZRR-KBPBESRZSA-N 304.346 0.573 0 50 DCAA O=C(O)C[C@@H]1CN(C(=O)CCc2cc(Cl)no2)C[C@H]1O 1857730615 XNFOKEKJPBMPPR-VXNVDRBHSA-N 302.714 0.555 0 50 DCAA Cc1cccc(S(=O)(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)c1 1857735758 SPAMSVJIKYDNTA-HIFRSBDPSA-N 322.386 0.717 0 50 DCAA C[C@](O)(CN[C@H]1CCOC1)C(=O)N[C@@H]1CCOc2ccccc21 1875326600 QBNWBQBAEJYTLQ-QEORTHHSSA-N 320.389 0.756 0 50 DCAA O=C(NC[C@H]1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O)c1nc2c(s1)CCC2 2325797060 DQPQNYMRZDKULY-KQKVGFIHSA-N 308.403 0.739 0 50 DCAA CC1(C)[C@@H](NC(=O)c2ccn(CCn3cccn3)n2)C[C@H]1CN 2325800099 PAOMKKGIJOIFKS-JSGCOSHPSA-N 316.409 0.883 0 50 DCAA Cn1nnnc1[C@H]1CN(C(=O)c2cc(F)cc(F)c2)CCO1 2356136529 YGNOZIVNRZSLGH-LLVKDONJSA-N 309.276 0.702 0 50 DCAA Cc1nc(C(=O)N2CCC3(CC2)OCC[C@H](O)[C@@H]3O)cs1 2356158105 CUEZZHSWBXEEEF-RYUDHWBXSA-N 312.391 0.568 0 50 DCAA Clc1nc(N2CCOCC2)nc(N2CCSCC2)n1 63653 QAIKQFQIULCYBR-UHFFFAOYSA-N 301.803 0.915 0 50 DCAA CN1CC[C@H](O)[C@@]2(CCCN(C(=O)c3ccn(C)c(=O)c3)C2)C1 2356141178 XILSVHLQPJXTSG-YOEHRIQHSA-N 319.405 0.304 0 50 DCAA Cc1c(C(=O)N2CCOCC2)cccc1N(C)S(C)(=O)=O 65365793 WQPPYLHQOFEHTO-UHFFFAOYSA-N 312.391 0.863 0 50 DCAA C[C@H](N)[C@@H]1CCCN(C(=O)CNC(=O)c2ncccc2O)C1 422844774 NAOKSSRQDPWFCD-WDEREUQCSA-N 306.366 0.103 0 50 DCAA COc1ccc(C2(C(=O)N3CCN(C)[C@H](C(=O)O)C3)CC2)cc1 67840924 PUJAGAYLVGUWDG-AWEZNQCLSA-N 318.373 0.954 0 50 DCAA O=C(c1ccc2c(c1)OCO2)N1Cc2cnn(CCO)c2C1 67920610 KNRZYKCKBPUIND-UHFFFAOYSA-N 301.302 0.760 0 50 DCAA Cc1c(N(C)CS(=O)(=O)O)c(=O)n(-c2ccccc2)n1C 1782155 LVWZTYCIRDMTEY-UHFFFAOYSA-N 311.363 0.766 0 50 DCAA biogenic,world Cc1ccccc1NC(=O)CNC(=O)C[C@@H]1CN(C)CCN1C 39445268 IXKKQTHKBSMWGY-CQSZACIVSA-N 318.421 0.686 0 50 DCAA COCCc1noc([C@H](C)NC(=O)c2n[nH]c(N)c2Cl)n1 219083246 JRCHPPZKTSUHQQ-YFKPBYRVSA-N 314.733 0.708 0 50 DCAA O=C(O)c1cc(F)cc(S(=O)(=O)N2CCO[C@H]3C[C@H]32)c1 368361371 BZDJRURCVLOTAS-MNOVXSKESA-N 301.295 0.686 0 50 DCAA C[C@@H]1CCCN(C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)[C@@H]1CN 237443534 OXXHOCLYEQHWPO-NOZJJQNGSA-N 316.361 0.416 0 50 DCAA CC(=O)Nc1cccc(OCCNC(=O)NCCC(=O)O)c1 263145332 APLBJDPAIMQDIK-UHFFFAOYSA-N 309.322 0.798 0 50 DCAA COCCCS(=O)(=O)N1CCN(C[C@@H]2CCCO2)CC1 132137460 LXTFNCZVDLAWSR-ZDUSSCGKSA-N 306.428 0.149 0 50 DCAA Cn1c(=O)[nH]cc(CC(=O)N[C@@H]2COC3(CCCCC3)C2)c1=O 221384834 CPEIQGUTVFCNGH-LBPRGKRZSA-N 321.377 0.224 0 50 DCAA CN(C[C@H]1COCCO1)C(=O)CCn1c(=O)[nH]c2ccccc21 244811374 SBQOIHWYMYCPLL-LBPRGKRZSA-N 319.361 0.594 0 50 DCAA CC[C@@H](NS(=O)(=O)c1cccc2c1nnn2C)[C@H]1C[C@H](O)C1 244874709 XFYIPYDQDSPGJS-GMTAPVOTSA-N 324.406 0.796 0 50 DCAA CC(=O)N1CC[C@@H](NC(=O)c2ccc(Cl)cc2O)[C@H](O)C1 252483306 DYUGFVPTISRELM-DGCLKSJQSA-N 312.753 0.757 0 50 DCAA NC(=O)[C@@H](O)C1CCN(Cc2nc(C3CCCC3)no2)CC1 299748096 FZKXJZTWEHDXHM-ZDUSSCGKSA-N 308.382 0.785 0 50 DCAA NC(=O)c1cccc(NCCCN2CCC(C(N)=O)CC2)n1 534676273 BIWJFPNTUPABFO-UHFFFAOYSA-N 305.382 0.180 0 50 DCAA COc1cc2c(cc1CNC(=O)[C@H]1CNCCO1)OCCO2 299776228 MFWBTQPRESMOLI-CQSZACIVSA-N 308.334 0.071 0 50 DCAA O=C1CC[C@@H](C(=O)NCCCn2cc(Cl)cn2)NC(=O)N1 299786419 XGXBZUGMTCCYPU-VIFPVBQESA-N 313.745 0.031 0 50 DCAA Cc1ncn(C)c1C(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 584895930 RSAPBGTVZONHLJ-ZDUSSCGKSA-N 320.393 0.440 0 50 DCAA CCn1cc(S(=O)(=O)NCCN2CCCC[C@H]2CO)cn1 670459490 LEMXEMGASGQFNN-LBPRGKRZSA-N 316.427 0.028 0 50 DCAA CCC1(c2cn([C@@H](C)C(=O)N3CC(F)(F)C3)nn2)COC1 1875344660 OKJBPDGHBGZPSG-VIFPVBQESA-N 300.309 0.995 0 50 DCAA O=C1NCC[C@H]2CCCN(S(=O)(=O)c3cncs3)[C@H]12 1875300705 ODPFIURPLRAGNM-SCZZXKLOSA-N 301.393 0.432 0 50 DCAA COC1(OC)CCOC[C@@H]1NC(=O)Nc1ccnc2ccnn12 1875396975 ZPMMRUJNSYSAKQ-JTQLQIEISA-N 321.337 0.629 0 50 DCAA CO[C@@H](CS(=O)(=O)N1CCC[C@H](c2nc[nH]n2)C1)C(C)C 1775986557 ZLARFCJOXDSJHB-RYUDHWBXSA-N 316.427 0.985 0 50 DCAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cn1ccc(O)nc1=O 268943634 MWFGUQYOBARXOR-DCAQKATOSA-N 321.333 0.193 0 50 DCAA O=C1CSc2ccc(C(=O)N3CCOC[C@H]3C(=O)O)cc2N1 268973216 ICHNOVADZVJMKL-JTQLQIEISA-N 322.342 0.656 0 50 DCAA CCS(=O)(=O)NCCNC(=O)[C@H](C)C(=O)OC(C)(C)C 408521006 FLDDNQTVWSTECV-VIFPVBQESA-N 308.400 0.020 0 50 DCAA Cc1cc(CC(=O)NC[C@H]2CCCN2C(=O)c2cn[nH]c2)no1 1388489658 IEKBGOUBMWHOCX-CYBMUJFWSA-N 317.349 0.670 0 50 DCAA O=C(N[C@]1(C(=O)O)CCSC1)c1n[nH]c(=O)c2ccccc12 271885824 BWGUIKFTKCUYRX-CQSZACIVSA-N 319.342 0.613 0 50 DCAA C[C@@H]1OCCC[C@@H]1C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 188978885 WEKITUULZNFUIF-AAEUAGOBSA-N 306.366 0.410 0 50 DCAA CN(C)C(=O)c1cccc(CN2CCC[C@](O)(CC(N)=O)C2)c1 643805750 RCOMZJVCYOHHOZ-KRWDZBQOSA-N 319.405 0.591 0 50 DCAA C[C@@]1(O)CCOC2(CCN(C(=O)CN3CCCCC3=O)CC2)C1 1704342852 RFHDPSCLZXTZRH-MRXNPFEDSA-N 324.421 0.922 0 50 DCAA Cc1cccc(CN2CCN3C(=O)[C@H](C)N(C)C(=O)[C@H]3C2)c1 14536595 FAIGLUMNJDSEEP-DZGCQCFKSA-N 301.390 0.868 0 50 DCAA CC(C)OCCCNC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 4687811 BQAMYCAHCGZINF-GFCCVEGCSA-N 306.428 0.589 0 50 DCAA OC[C@H]1CN(c2cc(-c3ccccc3)nc3ncnn23)CCN1 1857527666 CKJCCOQZPWEQRV-CYBMUJFWSA-N 310.361 0.562 0 50 DCAA COC1CCN(C(=O)Cn2nc(C)nc2[C@@H](N)C(C)C)CC1 1857703316 YVKAHIVCXYRNQB-AWEZNQCLSA-N 309.414 0.880 0 50 DCAA COC[C@H]1CN(C(=O)Nc2ccc(C(F)(F)F)nn2)CCO1 330973388 KUNDIDAJSFIHPT-MRVPVSSYSA-N 320.271 1.375 0 50 DCAA C[C@@H]1CN(C(=O)Cn2cnc3ncccc3c2=O)CC(C)(C)O1 901447705 MYOGDBZZRUIGQY-LLVKDONJSA-N 316.361 0.817 0 50 DCAA CN1C[C@H]2COC[C@@H]1CN(Cc1ccccc1OCC(=O)O)C2 1704307172 VDYQGSJWCRYOFW-HIFRSBDPSA-N 320.389 0.912 0 50 DCAA CCN1CCN([C@H]2CCN(C(=O)c3nn(CC)nc3C)C2)CC1 815485408 YHICPAYGMZKFCA-AWEZNQCLSA-N 320.441 0.458 0 50 DCAA Cn1nc(C2CC2)nc1CN1CCCC[C@H]1CS(N)(=O)=O 931233396 ZBUJVTJDLRDFIC-NSHDSACASA-N 313.427 0.336 0 50 DCAA Cn1cc(CN2CCN(c3cccc4nc(O)[nH]c34)CC2)nn1 932511753 JKPINCFPSVREFA-UHFFFAOYSA-N 313.365 0.719 0 50 DCAA Cn1ncc(C(=O)NC[C@@H]2CCCO[C@H]2c2ccnn2C)n1 855976774 UBVVPIUYJZTWIG-GXFFZTMASA-N 304.354 0.446 0 50 DCAA C=CC(=O)N(C)CC(=O)N1CCN(C(=O)C2CCCCC2)CC1 858811836 GGIDBFWXOZNCQL-UHFFFAOYSA-N 321.421 0.882 0 50 DCAA Cn1nnc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)n1 557571 KLKFAUWGAQLXMU-UHFFFAOYSA-N 306.307 0.066 0 50 DCAA COCCCNC(=S)N1CCN(C(=O)c2ccco2)CC1 8682762 ZLAYFHWMPZXMIM-UHFFFAOYSA-N 311.407 0.948 0 50 DCAA CCN1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 19849954 XWYPRNOCEZAKSI-UHFFFAOYSA-N 301.346 0.447 0 50 DCAA CCc1noc(CN(CC)C(=O)CN2CCCN(C)CC2)n1 65380593 PLDHGLXCJHVBHT-UHFFFAOYSA-N 309.414 0.618 0 50 DCAA CCN(CC)c1ccc(C(=O)N2C[C@H](N)C[C@H]2C(=O)NC)cc1 67948078 RNEVDGROEDKRCK-HIFRSBDPSA-N 318.421 0.821 0 50 DCAA Cc1nc(CC(=O)N2CCC(NS(C)(=O)=O)CC2)cs1 74017690 LILAAXSOPFIYCS-UHFFFAOYSA-N 317.436 0.534 0 50 DCAA Nc1nc(CCC(=O)N2CCCN(C3CCCC3)CC2)n[nH]1 77299566 PXYGFJMYMGOIMB-UHFFFAOYSA-N 306.414 0.796 0 50 DCAA Cn1cc(C(=O)N2CCNC[C@@H](C(=O)O)C2)c2ccccc21 97505907 NFMUZAJCINUJTI-LLVKDONJSA-N 301.346 0.925 0 50 DCAA CCOC(=O)C1=NN[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]12 100048858 ZXMSFIQJVKQWGR-QWRGUYRKSA-N 317.301 0.076 0 50 DCAA Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H]3CCC[C@H]3CN)cc12 124532962 ZNAPWGWPFXMIOR-GXFFZTMASA-N 323.422 0.682 0 50 DCAA C[C@H](C(=O)N1CCC[C@@H](N)C1)S(=O)(=O)c1ccc(F)cc1 158449388 GEFVNIVUBOWWIM-ZYHUDNBSSA-N 314.382 0.938 0 50 DCAA CC(=O)N[C@H]1CCCN(C(=O)CN2CC[C@H](N3CCCC3)C2)C1 170740348 VSXCBFZUXDQQGI-HOTGVXAUSA-N 322.453 0.284 0 50 DCAA O=C(NC[C@@]1(O)CCOC1)[C@@H]1CCCN1C(=O)c1ccccc1 178918765 GDCPPLZACZPNEA-YOEHRIQHSA-N 318.373 0.559 0 50 DCAA Cc1ncc(S(=O)(=O)N2CCN(CC(C)(C)O)CC2)s1 229630038 MJIMMPBNGGSFLC-UHFFFAOYSA-N 319.452 0.529 0 50 DCAA COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H](O)[C@H]4O)[C@H]3C2=O)cc1 230074464 VQUYMXMZIHBLKK-HUXGKSLCSA-N 303.314 0.172 0 50 DCAA CN1C(=O)C[C@H](C(=O)N2CCNCC2)[C@@H]1c1ccc(F)cc1 237056231 XBDSJFLATDIBMO-ZFWWWQNUSA-N 305.353 0.777 0 50 DCAA O=C(CCc1cc(O)no1)N[C@@H](C1CCNCC1)[C@H]1C[C@H](O)C1 244816976 SSBLCXQWPJJGNW-MKBNYLNASA-N 323.393 0.568 0 50 DCAA O=C(NCCc1cscn1)c1ncn([C@@H]2CCCNC2)n1 261811110 WYUVGTSLWRTYAV-LLVKDONJSA-N 306.395 0.632 0 50 DCAA C[C@@H](N)CC(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1 261889398 SXRAVAXCXDDQTR-RISCZKNCSA-N 304.394 0.812 0 50 DCAA CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1c(C)nn(CC)c1C 266236265 ZBISBCQQLJBSDN-LLVKDONJSA-N 314.411 0.419 0 50 DCAA C[C@H]1OCCN(Cc2nncn2-c2ccccc2)[C@@H]1C(N)=O 285347386 ZSMDCKYBCQUTEP-RISCZKNCSA-N 301.350 0.342 0 50 DCAA CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1csnn1 298895623 WKEOWBFNJBPCQI-QMMMGPOBSA-N 304.397 0.082 0 50 DCAA Cc1cc(N2CCC[C@@H](N3C(=O)NC(C)(C)C3=O)C2=O)n(C)n1 348955195 PUBGDQPZXHHIGY-SNVBAGLBSA-N 319.365 0.554 0 50 DCAA CCNS(=O)(=O)[C@@H]1CCN(C[C@@](C)(O)C(F)(F)F)C1 375622954 DGCXYBYQLXWQGX-RKDXNWHRSA-N 304.334 0.313 0 50 DCAA Cn1c(C(=O)N2CCC[C@@](O)(C(N)=O)C2)cc(Cl)c1Cl 380495239 NEQHDCNQVYJGDD-LBPRGKRZSA-N 320.176 0.784 0 50 DCAA COC(=O)C1(CNC(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)CC1 408307264 SIZMQSBNJCLSQS-IAQYHMDHSA-N 312.366 0.529 0 50 DCAA COc1cncc(-c2ccc(C(=O)N[C@@H]3CNC[C@H]3O)cc2)c1 426604286 KOKBYQPLLABIOB-HZPDHXFCSA-N 313.357 0.820 0 50 DCAA CN(C(=O)[C@@H]1CC12CCNCC2)C1CCS(=O)(=O)CC1 584903173 PPOVYUDGWJSYNZ-LBPRGKRZSA-N 300.424 0.412 0 50 DCAA CNC(=O)C[C@@]1(O)CCCN(C(=O)c2n[nH]c3ccccc23)C1 644032894 FVVOKNYIXZVBHV-INIZCTEOSA-N 316.361 0.666 0 50 DCAA C[C@H](C(=O)N[C@H]1C[C@H](C(=O)O)c2ccccc21)S(C)(=O)=O 653330482 GCWDFBAEYQSORF-ZHAHWJHGSA-N 311.359 0.849 0 50 DCAA Cc1nncn1CCN1CCN(c2ccc3nccn3n2)CC1 670474212 XTMHKQDUQFMEJA-UHFFFAOYSA-N 312.381 0.451 0 50 DCAA CC(C)Cn1[nH]c(CC(=O)N[C@H]2C[C@@H](O)C23CCC3)cc1=O 825429125 DKINTCVDKVVLAX-QWHCGFSZSA-N 307.394 0.795 0 50 DCAA Cc1ccoc1CC(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 888100743 MXCRROKGTVOPEK-GXTWGEPZSA-N 305.334 0.827 0 50 DCAA C[C@H]1CN(C(=O)Cn2cc(CC3(O)CCC3)nn2)CC(C)(C)O1 900616872 LNXUKEHLFFCXEF-LBPRGKRZSA-N 322.409 0.762 0 50 DCAA O=C(N1CCN(C[C@H](O)CO)CC1)C12CC3CC(CC(C3)C1)C2 929126452 PBCNIEJLMLXPLC-KUNBBXKYSA-N 322.449 0.700 0 50 DCAA COCCC1(C)CN(C(=O)c2ccc(S(C)(=O)=O)nc2)C1 936021284 RIYVOCACZGOCJI-UHFFFAOYSA-N 312.391 0.984 0 50 DCAA CCS(=O)(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2Cc1ccccn1 1565526813 CNPMDZCYZUNLQD-OCCSQVGLSA-N 323.418 0.854 0 50 DCAA O=C(CCn1cccn1)N1C[C@H](Cc2ccccn2)[C@@H](O)C1 1616083233 MXVXYOYWANRDFT-ZFWWWQNUSA-N 300.362 0.730 0 50 DCAA O=C(c1ccn(C(F)F)n1)N1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704307056 SFQAXNZZSMCIBX-TXEJJXNPSA-N 315.232 0.280 0 50 DCAA O=C(Cc1cn2ccsc2n1)N1CCC([C@H](O)CO)CC1 1772712520 QXSMVRXGRMYIOG-GFCCVEGCSA-N 309.391 0.530 0 50 DCAA O=C(N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1ccc(C(F)(F)F)cc1 1875244981 FAPWZRBPAZANDF-DDHJBXDOSA-N 317.263 0.962 0 50 DCAA CNC(=O)N[C@@H](C)C(=O)NC[C@H]1CC(=O)Nc2ccccc21 1875300379 AYSGWSCXACHJPS-VHSXEESVSA-N 304.350 0.546 0 50 DCAA O=C(CCCCc1cccnc1)N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12 1940197832 VTOIIPAGYYIIMX-SJXGUFTOSA-N 306.362 0.438 0 50 DCAA C[C@H]1CCn2c(C(=O)N3CCN([C@@H]4CCNC4)CC3)cnc2C1 2325799118 WCFFCOPNNIRXQO-UONOGXRCSA-N 317.437 0.585 0 50 DCAA Cc1c(NS(=O)(=O)N(C)C)c(=O)n(-c2ccccc2)n1C 3903794 PVXGISNODYGQLH-UHFFFAOYSA-N 310.379 0.703 0 50 DCAA O=C(Cn1nnc2ccccc2c1=O)NCc1n[nH]c2c1CCC2 67820655 MVENNYACUUTGMN-UHFFFAOYSA-N 324.344 0.320 0 50 DCAA C[C@H](C(=O)Nc1ncccn1)N1CCO[C@@H](Cn2cccn2)C1 229553122 NOPCWEPEZSOWQO-CHWSQXEVSA-N 316.365 0.401 0 50 DCAA Cc1ccc(S(N)(=O)=O)c(C(=O)N2CC(O)(C(F)F)C2)c1 425014830 DPSDGVPRQABZQF-UHFFFAOYSA-N 320.317 0.094 0 50 DCAA NC(=O)c1cncc(N2CCC(CN3CCOCC3)CC2)n1 301495659 BMZOYDUWDKRHEU-UHFFFAOYSA-N 305.382 0.124 0 50 DCAA Cn1cc(N2CC[C@@H](N3C(=O)N4CCC[C@@]4(C)C3=O)C2)cn1 328587098 YEHNBFZJESWPTC-ABAIWWIYSA-N 303.366 0.816 0 50 DCAA CN(CC1CC1)C[C@H]1CN(C(=O)[C@@H]2CCN=C(O)C2)CCO1 328634718 MYNKZFVQWAHTEB-KGLIPLIRSA-N 309.410 0.922 0 50 DCAA CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccccc1O)C2 72172922 PTFZTTSRKNQLTN-UHFFFAOYSA-N 314.345 0.740 0 50 DCAA C[C@@H]1CN(C)CCN1C(=O)[C@H]1CCCN(c2ncccn2)C1 241739077 QZTKECFGRSZEQT-KGLIPLIRSA-N 303.410 0.856 0 50 DCAA CCN1CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)[C@H](C)C1 288430431 MQFKKKDUCOGXSB-CYBMUJFWSA-N 314.393 0.757 0 50 DCAA CC1=CC[C@@H]2CN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)C[C@@H]2C1 220011819 YRHWNKXIXHMRHR-YPMHNXCESA-N 303.362 0.431 0 50 DCAA C[C@H]1C[C@@H](c2cccnc2)N(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 613482915 XPIQVQDFTRJVNR-DLOVCJGASA-N 302.334 0.589 0 50 DCAA O[C@H]1[C@H](O)CO[C@H](Nc2ccc(Br)cc2)[C@@H]1O 239433335 XNRPWNFGHKJOMI-YTWAJWBKSA-N 304.140 0.300 0 50 DCAA O=C(O)[C@H]1CN(Cc2cn[nH]n2)CCN(Cc2ccco2)C1 97634985 CNMLJMCLUVFRFP-NSHDSACASA-N 305.338 0.416 0 50 DCAA CO[C@@]12CC[C@H](OCCO)C[C@@H]1N(Cc1cncn1C)CC2 426517792 GFCRKVFGQWZWHS-HRCADAONSA-N 309.410 0.941 0 50 DCAA CCN1C[C@H](C(=O)N2CCc3nnc(C(C)C)n3CC2)CC1=O 95369142 OYYKKCHUNCYYQW-GFCCVEGCSA-N 319.409 0.655 0 50 DCAA O=C1C[C@H](C(=O)N2CCC(O)CC2)CN1Cc1ccncc1 95389112 IDTQKUWBFBNEFJ-ZDUSSCGKSA-N 303.362 0.413 0 50 DCAA CC(C)(N)C(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)O)C1 95369603 HCRFJANKOPFYHC-BDJLRTHQSA-N 304.346 0.813 0 50 DCAA COCCc1noc(CN2CC3(CCNCC3)CCC2=O)n1 91412212 AXBGWUKMPLAVIZ-UHFFFAOYSA-N 308.382 0.751 0 50 DCAA COCCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)c2cc[nH]c2)C1 244787602 QADXSIBDRPCSGQ-HAQNSBGRSA-N 319.365 0.421 0 50 DCAA NC(=O)N1CCC[C@H](C(=O)N[C@@H](C(=O)O)c2ccccc2)C1 299742237 JCQYTEUCUMZFQE-NWDGAFQWSA-N 305.334 0.719 0 50 DCAA O=C1CCCN1C1CCN(S(=O)(=O)N2CCCCC2)CC1 371557301 SHKUWUVQQNGMNV-UHFFFAOYSA-N 315.439 0.804 0 50 DCAA CS(=O)(=O)NCCC(=O)NCc1ccc2c(c1)CCCO2 299783207 ZFXHABIHNNYEKR-UHFFFAOYSA-N 312.391 0.567 0 50 DCAA Cc1n[nH]c(C2CCN(C(=O)CN3CC[C@H](N(C)C)C3)CC2)n1 299774648 HPGJWHTZEPSFFC-AWEZNQCLSA-N 320.441 0.455 0 50 DCAA O=C(Cn1cccn1)NC[C@@H]1CCCN(Cc2ncc[nH]2)C1 827861572 VMEQFVHFVMGGOH-ZDUSSCGKSA-N 302.382 0.635 0 50 DCAA O=C(O)c1ccc(C(=O)NC[C@H]2C[C@@H](C(=O)O)C[C@H]2O)cc1 585135046 VJLNLJHSOREQDS-IJLUTSLNSA-N 307.302 0.586 0 50 DCAA COCCn1cnnc1[C@@H](C)NC(=O)CCn1cc(C)cn1 584886229 DOYJZMPJUKCFGF-GFCCVEGCSA-N 306.370 0.697 0 50 DCAA 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306.366 0.118 0 50 DCAA COCCN1CC[C@@H](CNC(=O)N2CCc3n[nH]c(C)c3C2)C1 426383323 PZISPXWSUULCGO-ZDUSSCGKSA-N 321.425 0.754 0 50 DCAA Cc1ccn2c(C(=O)N3C[C@@H]4NCCO[C@H]4C3)c(C)nc2c1 426490202 JOXAMIRPOIXASF-STQMWFEESA-N 300.362 0.764 0 50 DCAA Cc1nccn1CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 426690292 MIICDKIKAQITCY-ZDUSSCGKSA-N 303.318 0.709 0 50 DCAA CCCN(C(=O)[C@H]1CCS(=O)(=O)C1)[C@H](C)C(=O)OCC 436332310 HTPAXLRBFJQFFY-MNOVXSKESA-N 305.396 0.611 0 50 DCAA COCC1CCN(S(=O)(=O)NCc2cscn2)CC1 534634120 IANIGHQGQANPEW-UHFFFAOYSA-N 305.425 0.836 0 50 DCAA NC(=O)[C@@H]1CC=CC[C@H]1Nc1cncc(C(=O)N2CCCC2)n1 584896080 FBCGBYCTUBLHMP-VXGBXAGGSA-N 315.377 0.945 0 50 DCAA CC(C)CCOc1ccc(NC(=O)CCS(C)(=O)=O)nn1 585126112 OSLRKXQSEKRPLC-UHFFFAOYSA-N 315.395 1.275 0 50 DCAA COC(=O)C[C@@H](O)CNC(=O)Nc1cc(C)cc(C(N)=O)c1 599792437 NOUVELAYMDFYML-LLVKDONJSA-N 309.322 0.139 0 50 DCAA CCCc1nc(C(=O)N2C[C@@H](O)[C@H](Oc3cnn(C)c3)C2)co1 628261149 KALNIKGFRLUHNT-CHWSQXEVSA-N 320.349 0.625 0 50 DCAA 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CCO[C@H]1CCN(C(=O)NCc2nc(N(C)C)n[nH]2)C[C@H]1C 637790128 ULRDYYXUGOZLCL-MNOVXSKESA-N 310.402 0.827 0 50 DCAA COc1ccc(OCCNC(=O)N2CCO[C@@H](C(=O)O)C2)cc1 666514330 PTVSGPKIPRUNKN-CYBMUJFWSA-N 324.333 0.569 0 50 DCAA CC(C)Cn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](O)C2 821508389 PTSWUPJCDCPXLI-GFCCVEGCSA-N 307.394 0.861 0 50 DCAA CCCC[C@H]1C(=O)N(C)CCN1C(=O)C1(O)CCN(C)CC1 1506400747 WWLPZYONZIABCB-ZDUSSCGKSA-N 311.426 0.303 0 50 DCAA Cc1cc(C(=O)N2CCN(C3CC3)C(=O)C2)cc(C=O)c1O 1616037099 BVGJXRYNKAPUGT-UHFFFAOYSA-N 302.330 0.960 0 50 DCAA O=C(NC1CC1)C1(C(=O)N2CC(NC3CCOCC3)C2)CCC1 1638302179 BLOQDDMJAUTHCC-UHFFFAOYSA-N 321.421 0.415 0 50 DCAA O=C(Cc1cc(F)cc(F)c1)N[C@H]1CCO[C@H](CO)[C@H]1O 1857698136 FGRKAOAUSNYSOF-SCRDCRAPSA-N 301.289 0.134 0 50 DCAA O=C(N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1cc(F)cc(Cl)c1 1875243154 SOPMONKURRRDJL-DDHJBXDOSA-N 301.701 0.736 0 50 DCAA C[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@H](N2CCCS2(=O)=O)C1 1875275277 OPANAVLCHDIAHV-AGIUHOORSA-N 315.439 0.994 0 50 DCAA Cc1cc(C)n2nc(C(=O)NC[C@@H]3CCC(=O)N3C)nc2n1 1875306672 BQNQYIGTCVCZPI-JTQLQIEISA-N 302.338 0.092 0 50 DCAA COC1(CN(C)C)CCN(C(=O)Cn2ccccc2=O)CC1 2356149067 IRVHZCPDVXGSFN-UHFFFAOYSA-N 307.394 0.418 0 50 DCAA Cc1cccn2ncc(C(=O)N3C[C@H]4COC[C@@]4(CO)C3)c12 2356163482 FPDDOSOGXNAKRK-LRDDRELGSA-N 301.346 0.724 0 50 DCAA COc1ccc(N2C[C@H](C(=O)N3CCNCC3)CC2=O)cc1 3602945 JKGXLZWWNBGJSP-GFCCVEGCSA-N 303.362 0.480 0 50 DCAA Cn1c(=O)[nH]c(=O)c2c1nc1n2CCCN1c1ccc(O)cc1 12422041 MZEDXRUTSUWUMJ-UHFFFAOYSA-N 313.317 0.671 0 50 DCAA biogenic COc1cccc([C@@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1OC 18205225 UNJPCPWYEMGMLI-QMMMGPOBSA-N 316.317 0.843 0 50 DCAA COc1ccc(C(=O)N2CCC[C@](O)(CN(C)C)C2)c(OC)n1 72145636 MGUHCTQTXDTDSC-INIZCTEOSA-N 323.393 0.628 0 50 DCAA Cc1cccn2c(CNC(=O)[C@@H]3NCCc4[nH]cnc43)cnc12 72453614 PZENNNMXOUYVDW-CQSZACIVSA-N 310.361 0.869 0 50 DCAA Cc1ccnn1CC(=O)N1CCC(N2CCC[C@@H](O)C2)CC1 72478497 BGZOIOQTPYBTHX-OAHLLOKOSA-N 306.410 0.639 0 50 DCAA O[C@@]1(CN2CCCC2)COCCN(c2ncnc3[nH]cnc23)C1 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DUTBLIPRNLMEIB-OAHLLOKOSA-N 306.410 0.806 0 50 DCAA CC(C)Cc1cc(C(=O)N[C@@H]2CCN(C(N)=O)C2)cc(O)n1 180388594 XGRVXLJELVXZQY-LLVKDONJSA-N 306.366 0.869 0 50 DCAA C[C@H](N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccnn1C 193003041 KZPMDLIRZHDKBM-UONOGXRCSA-N 321.425 0.004 0 50 DCAA CCOC1CC(CNC(=O)c2cnccn2)(N2CCOCC2)C1 195190951 CYXFSPACJKPWTG-UHFFFAOYSA-N 320.393 0.476 0 50 DCAA Cc1nc(=O)c(CC(=O)N2CCC(n3cnnc3)CC2)c(C)[nH]1 216375570 NDDZUFLBQXYQJV-UHFFFAOYSA-N 316.365 0.384 0 50 DCAA Cc1cnc(C(=O)N2C[C@@H]3CC[C@H]2CN(S(C)(=O)=O)C3)[nH]1 216414439 LGQZXJYRCUIRGC-MNOVXSKESA-N 312.395 0.214 0 50 DCAA COc1cccc(CC(=O)N[C@@H]2CCOC[C@H]2OCC(=O)O)c1 220403577 OUNKQGXJJCSAKS-ZIAGYGMSSA-N 323.345 0.613 0 50 DCAA C[C@@H](CNC(=O)[C@@H](O)Cc1ccccc1)CN1CCN(C)CC1 225420493 HBIPPRCNMHDXKN-RDJZCZTQSA-N 319.449 0.590 0 50 DCAA C[C@H]1CN([C@@H]2C[C@@H](C)OC2=O)CCN1c1ccc2nncn2n1 229543200 KTTYJZMRAQDOHB-QJPTWQEYSA-N 316.365 0.339 0 50 DCAA CC(C)(CNC(=O)[C@H]1C[C@H](O)CN1)c1ccc2c(c1)OCCO2 236695332 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305.426 0.857 0 50 DCAA Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(CC(=O)O)C1 95363749 REVROGVBQJEZRY-LLVKDONJSA-N 304.354 0.324 0 50 DCAA COc1ccnc(N2CCC[C@H](c3nnc(CO)n3C)C2)n1 824835818 WYSALGJBKXYTRH-JTQLQIEISA-N 304.354 0.490 0 50 DCAA CC(C)n1cnnc1CNC(=O)[C@@H]1CSC(C)(C)C(=O)N1 670437052 XZPNLABCIWKKCL-VIFPVBQESA-N 311.411 0.485 0 50 DCAA Cn1cc(O[C@@H]2COC[C@@H]2NCc2cnn3c2CCC3)cn1 862496173 PZPIPXDHFZEZKX-DZGCQCFKSA-N 303.366 0.499 0 50 DCAA CC(C)CN1C[C@H](C(=O)N[C@@H]2CC[C@H](O)[C@H](O)CC2)CC1=O 952877856 WIDIEYRQVGDFCN-YIYPIFLZSA-N 312.410 0.272 0 50 DCAA C[C@H](C(=O)NS(C)(=O)=O)c1ccc2c(c1)CCS2(=O)=O 1875382956 ZBKOPDXYBRMVTR-QMMMGPOBSA-N 317.388 0.196 0 50 DCAA O=C(N[C@@H]1C[C@H]2C[C@H](C(=O)O)C[C@H]21)C1Cc2nccnc2C1 1875304845 XEHWULDVTRAYFP-SASUGWTJSA-N 301.346 0.807 0 50 DCAA C=CC(=O)NCC(=O)N[C@H]1CC(=O)N(c2cccc(OC)c2)C1 1875370968 KAGYVIBQHKVOCW-NSHDSACASA-N 317.345 0.219 0 50 DCAA CN(C)CCN(C[C@H]1CCCO1)S(=O)(=O)c1cn[nH]c1 952984680 LYFZHSPVXATSEF-LLVKDONJSA-N 302.400 0.141 0 50 DCAA 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CC(C)(C)OC(=O)N1C[C@H]2CS(=O)(=O)CC[C@@]2(C(=O)O)C1 1857783404 LYMSJOLKWPOUMC-TVQRCGJNSA-N 319.379 0.743 0 50 DCAA O=C(N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1ccc2cccc(F)c2n1 1875242733 ZAZWSQYBQOXHTJ-QHSBEEBCSA-N 318.304 0.631 0 50 DCAA NC(=O)C[C@H]1CO[C@H](CNC(=O)CCOCc2ccccc2)C1 1875300636 LNAXUOHHTWBSDZ-GJZGRUSLSA-N 320.389 0.990 0 50 DCAA CCN(C(=O)[C@H]1[C@@H](C(=O)O)[C@@H](C)[C@H]1C)[C@@H](C)CS(C)(=O)=O 1875343935 YTFMLLSZRZYCAG-MJDLHHQISA-N 319.423 0.871 0 50 DCAA CCn1cc(CC(=O)N[C@@H]2C[C@@H](Cn3ccnc3)C[C@H]2O)cn1 1875403706 ZAFNWAUSUKKUGP-BPLDGKMQSA-N 317.393 0.598 0 50 DCAA COCc1cccc(S(=O)(=O)N[C@@H]2CN(C)C[C@H]2OC)c1 2325782557 HVQUCAPULWLEHT-ZIAGYGMSSA-N 314.407 0.440 0 50 DCAA CC(C)(C)[C@@H]1[C@H](O)CCN1C(=O)c1cn(C[C@@H]2CCOC2)nn1 2325800249 ZZHSGMZDMPUZHE-YUTCNCBUSA-N 322.409 0.936 0 50 DCAA Cn1nnc([C@@H]2CN(c3nc(-c4ccccc4)no3)CCO2)n1 2356149801 BLYPQSAPLCXDJX-NSHDSACASA-N 313.321 0.838 0 50 DCAA Nc1cc2c(O)cc(S(=O)(=O)O)cc2cc1S(=O)(=O)O 1683643 VNWVMZDJPMCAKD-UHFFFAOYSA-N 319.316 0.621 0 50 DCAA CN(CC(=O)NCCO)S(=O)(=O)c1ccc(Cl)cc1 2811604 QRHHZYVMTBORLX-UHFFFAOYSA-N 306.771 0.069 0 50 DCAA COc1ccc(CNCCNC(=O)c2nonc2N)cc1OC 2862398 BVOOHWOKIWFYGJ-UHFFFAOYSA-N 321.337 0.189 0 50 DCAA CC1=NNc2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2[C@H]1C 10333130 RZDKFBJNGCZZCP-VIFPVBQESA-N 304.354 0.915 0 50 DCAA COC(=O)c1cc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)n(C)n1 67691805 VEMBHVXAZRGVSD-JTQLQIEISA-N 317.349 0.950 0 50 DCAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1csc2c1CCCC2 67921721 JQIQCIBJRMOXEA-SKDRFNHKSA-N 307.419 0.915 0 50 DCAA Cc1nc(N2CCN(CCO)CC2)nc2c1C(=O)C[C@H](C)C2 20591378 RYBQITVLNRTVGL-LLVKDONJSA-N 304.394 0.664 0 50 DCAA Cc1cnc(N2C[C@]3(C)CN(C)C[C@](C)(C2)C3O)nc1N(C)C 65398592 DIBPQEFVJDEYMN-ZXFUBFMLSA-N 319.453 0.990 0 50 DCAA CN1CCN(C(=O)c2ccccc2-n2cncn2)C[C@@H]1C(=O)O 67654389 GFNTXXMSQRYAFN-CYBMUJFWSA-N 315.333 0.108 0 50 DCAA Cc1nc(CC(=O)NCCn2nc(O)ccc2=O)c(C)s1 67641809 WYSHXWRLUVCBRU-UHFFFAOYSA-N 308.363 0.381 0 50 DCAA CCNc1ccnc(N2CCN(Cc3ncnn3CC)CC2)n1 65385565 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318.295 0.923 0 50 DCAA O=C(Nc1[nH]c(=O)ncc1F)c1cnn(-c2ccc(F)cc2)n1 170605928 ZHZKEFQFWUZRMQ-UHFFFAOYSA-N 318.243 0.881 0 50 DCAA CCc1nnc2ccc(N3CCC[C@](O)(CC(=O)NC)C3)nn12 643720725 LRLUMNIDBSGCBS-HNNXBMFYSA-N 318.381 0.154 0 50 DCAA Cc1ccc(C[C@H](CO)NC(=O)N[C@@H]2CCCCNC2=O)cc1 191742639 GMDHDDQKQOXTTK-HUUCEWRRSA-N 319.405 0.866 0 50 DCAA O=C(CS(=O)(=O)C1CC1)N[C@H]1COc2ccc(F)cc2C1 583546756 COCKLTCJDQJDAT-LLVKDONJSA-N 313.350 0.823 0 50 DCAA CC(C)(C)OC(=O)[C@@]1(C(=O)NCc2nc(O)n[nH]2)CC1(C)C 597334991 CSWRINMRBCIPQK-AWEZNQCLSA-N 310.354 0.885 0 50 DCAA NCCn1cc(C(=O)N[C@H]2COc3c(Cl)cccc32)nn1 659281803 LYHPDVUKUXXIPC-NSHDSACASA-N 307.741 0.754 0 50 DCAA CC(C)(C)n1cc(C(=O)N2CCC[C@](O)(c3cnn[nH]3)C2)cn1 794114867 HVLBFJWHXFGWNU-OAHLLOKOSA-N 318.381 0.880 0 50 DCAA CN1CCN(C(=O)CCCn2cncn2)CC12CCOCC2 1800410099 OCLWWMQPNXNVCZ-UHFFFAOYSA-N 307.398 0.382 0 50 DCAA CCc1ccnc(C(=O)N2CCN3CCOC[C@@]3(CO)C2)c1 1616032313 LDXTYJJIEWIABE-INIZCTEOSA-N 305.378 0.163 0 50 DCAA 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263061704 YHQCXZNLITWIGY-ZYHUDNBSSA-N 304.302 0.424 0 50 DCAA O=C(CN1CCC[C@@H](O)C1)N[C@H]1CCN(Cc2ccccc2)C1 245237745 UPDHAVJZLGTVOX-DLBZAZTESA-N 317.433 0.834 0 50 DCAA CCC(=O)N1CCC[C@@H](c2nnc(CN3CCOCC3)n2C)C1 426535459 LAUKVUASFXQQIH-CYBMUJFWSA-N 321.425 0.763 0 50 DCAA CNC[C@@H]1CCN(C(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)C1 178991201 QMNFYGGUXABROY-RYUDHWBXSA-N 322.409 0.307 0 50 DCAA OC[C@H](O)Cn1cc(-c2ccc(Oc3ncccn3)cc2)nn1 91503906 ZDSCOPSDMGRNLF-GFCCVEGCSA-N 313.317 0.881 0 50 DCAA C[C@H](C(=O)NCCCn1nnc2ccccc21)N1CCCC1=O 97522083 VRHCRAYEYHVBML-GFCCVEGCSA-N 315.377 0.949 0 50 DCAA CN1CCCN(C[C@@H]2CN(C(=O)CC3CCC3)C[C@@H]2CO)CC1 92065281 YPRIZMGVICWDLI-IAGOWNOFSA-N 323.481 0.881 0 50 DCAA Cc1nc(-c2cc(C)c(C)[nH]c2=O)n([C@@H]2CCS(=O)(=O)C2)n1 91649830 YHNBRGZKKBCILR-LLVKDONJSA-N 322.390 0.918 0 50 DCAA CCC(=O)N1CCC[C@@H](C(=O)NCCn2nc(C)nc2C)C1 95391587 UNIJIWZVBQSEEZ-CYBMUJFWSA-N 307.398 0.660 0 50 DCAA COCCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)C2CCCC2)C1 244882469 XSJJXYRAECNCND-BETUJISGSA-N 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0.705 0 50 DCAA Cc1ncsc1CCN(C)C(=O)N[C@H]1CCS(=O)(=O)C1 827883282 BPPFQHSEIKENIX-JTQLQIEISA-N 317.436 0.823 0 50 DCAA O=S(=O)(CC1CCCC1)NCCCN1CCC[C@H](O)C1 828627378 JBXYYFYFGUDEFY-AWEZNQCLSA-N 304.456 0.943 0 50 DCAA NC(=O)CN1CCC[C@H](C(=O)NCc2ccc3nonc3c2)C1 952964079 NAIBLXSVQXRPCD-NSHDSACASA-N 317.349 0.036 0 50 DCAA CSCC(=O)N[C@H]1CCN(Cc2csc(C)n2)C[C@@H]1O 1099648192 OXHXIWIAKHUKBL-RYUDHWBXSA-N 315.464 0.866 0 50 DCAA CCOCC(=O)N1CCCN(C(=O)c2cccnc2OC)CC1 1372096610 GBSUAWAFYCOBDX-UHFFFAOYSA-N 321.377 0.801 0 50 DCAA CC[C@H](NC(=O)Cn1[nH]nnc1=N)c1ccc(OC)c(OC)c1 1506407955 UHWXEUVMHCIMLR-JTQLQIEISA-N 320.353 0.370 0 50 DCAA COc1c(F)cccc1C(=O)N1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704312360 QEEFGRUEWWEVAU-GASCZTMLSA-N 323.276 0.836 0 50 DCAA CN1C[C@@H](C(=O)NC/C=C/S(C)(=O)=O)c2ccccc2C1=O 1776006681 ZCRGATKWIBQJQP-OMDQHUAHSA-N 322.386 0.530 0 50 DCAA CC[C@H](CC(F)(F)F)CS(=O)(=O)N(C)CC(=O)NC 1776006776 VDBNZUZGDJCOSV-MRVPVSSYSA-N 304.334 0.973 0 50 DCAA 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Cc1cccc(CN(C)[C@H]2CN(S(C)(=O)=O)C[C@@H]2O)c1C 1875273894 CHZRTVRCGYNHPV-GJZGRUSLSA-N 312.435 0.740 0 50 DCAA CCC(C)(C)c1cn(C[C@H](C)NC(=O)CN2CCOCC2)nn1 1875323417 HZYMONVGPRRVIS-ZDUSSCGKSA-N 323.441 0.803 0 50 DCAA C[C@@H]1CC(=O)NC[C@@H]1C(=O)N1CCC(Cc2ncon2)CC1 1875397069 JPZDVSDTXMZOBQ-PWSUYJOCSA-N 306.366 0.623 0 50 DCAA Cc1nc2ccc(-c3nc(CC(N)=O)nn3CCO)cc2[nH]1 952870320 VYJXEXNGDYILJJ-UHFFFAOYSA-N 300.322 0.150 0 50 DCAA CCn1cc(CCN2CCC[C@@](O)(Cc3nncn3C)C2)cn1 888077432 BBOHREYVMJFQAE-MRXNPFEDSA-N 318.425 0.644 0 50 DCAA COCCCNC(=O)[C@@H](C)N1CCN(Cc2cnccn2)CC1 888095410 BPLWJIPFTSAJMF-CQSZACIVSA-N 321.425 0.135 0 50 DCAA O=C(c1c[nH]nc1C1CCOCC1)N1CCN2C(=O)CC[C@@H]2C1 888076022 OVLWCAXVASBTCB-GFCCVEGCSA-N 318.377 0.751 0 50 DCAA O=C(NC1(c2ccccc2)COC1)C1CCS(=O)(=O)CC1 888566096 GKSNWTIBVZTOMU-UHFFFAOYSA-N 309.387 0.853 0 50 DCAA C[C@@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)c2nc[nH]n2)C1 1775992334 YOYOETIEZUBRRV-WCQYABFASA-N 321.406 0.919 0 50 DCAA C[C@H](NC(=O)Cn1ncc2ncccc21)C(=O)N1CCCCC1 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0.906 0 50 DCAA COC(=O)C1(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)CC1 408065430 OFVVEQXWIIHRFN-MNOVXSKESA-N 309.366 0.343 0 50 DCAA O=C([C@H]1COc2ccccc2C1)N1CCC[C@](O)(C(=O)O)C1 386519731 XJSKWWXMYFUYGX-MLGOLLRUSA-N 305.330 0.676 0 50 DCAA C[C@]1(C(=O)Nc2cccc3c2NC(=O)CO3)CCNC(=O)C1 906118481 IWPMFIWXMLTOCL-HNNXBMFYSA-N 303.318 0.872 0 50 DCAA C[C@](O)(CNC(=O)C1=NN2CCCN=C2N1)c1cccs1 829290199 YTKQHKROPREYOX-ZDUSSCGKSA-N 307.379 0.050 0 50 DCAA CON1CCN(C(=O)c2ccc(C(=O)NC3CC3)cc2)CC1 854857278 NZMTXYFOGKKAHS-UHFFFAOYSA-N 303.362 0.898 0 50 DCAA Cn1cnc(S(=O)(=O)NCC[C@H]2CCCNC2)c1Cl 237816729 BORBISVZKUCMAX-SECBINFHSA-N 306.819 0.742 0 50 DCAA Cc1ccc2c(c1)c(CNC(=O)c1nc(=O)n(C)[nH]1)nn2C 2100554846 CIUSHDSTVXHUPT-UHFFFAOYSA-N 300.322 0.234 0 50 DCAA CCOC(=O)CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 3812682 PJNSMUBMSNAEEN-AWEZNQCLSA-N 318.373 0.899 0 50 DCAA in-vitro O=C(O)C1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1 6758636 KUZFOJVFYZGBEO-UHFFFAOYSA-N 315.329 0.720 0 50 DCAA 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190836026 WQHOTZFCQMNXEL-CQSZACIVSA-N 315.439 0.887 0 50 DCAA Nc1cccc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)n1 215663074 PUUJXOXGNIVLCN-UHFFFAOYSA-N 318.377 0.375 0 50 DCAA CCn1cc(C(=O)NCC[C@@H](C)N2CCN(C)CC2)c(C)n1 216158504 KSGARQOEVUCBIJ-CYBMUJFWSA-N 307.442 0.967 0 50 DCAA O=C(N[C@@H]1CCOC[C@H]1OCCO)c1ccc(O)c(Cl)c1 223899013 DQKAWBCZFKGMHA-DGCLKSJQSA-N 315.753 0.942 0 50 DCAA C[C@H](C(=O)NC1CCCC1)S(=O)(=O)c1nnc(N)s1 225683816 QYQJGJWRTWJDRF-ZCFIWIBFSA-N 304.397 0.341 0 50 DCAA COCC(=O)N1CCN(C)C[C@H]1C(=O)NCCc1ccc(C)o1 230492018 TVKATNUWTDNNSI-AWEZNQCLSA-N 323.393 0.036 0 50 DCAA NC(=O)c1cc(C(=O)N2CCCNCC2)nn1-c1ccccc1 237717657 DECJRENWISNGEV-UHFFFAOYSA-N 313.361 0.407 0 50 DCAA COc1ccc2c(c1)CCCCN2C(=O)Cn1ncn(C)c1=O 241132715 JLCQBGLEQYICRG-UHFFFAOYSA-N 316.361 0.960 0 50 DCAA CC(C)(C)S(=O)(=O)CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)O 262953377 LLXJMUYBLADWRO-JBLDHEPKSA-N 317.407 0.911 0 50 DCAA O=C(c1cc(C2CC2)no1)N1CCC[C@](O)(Cn2ccnn2)C1 284459023 AGTFVCAMOGTECT-OAHLLOKOSA-N 317.349 0.811 0 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301.350 0.985 0 50 DCAA COC(=O)/C=C/CCNC(=O)CN(C)c1ncnc2[nH]cnc12 1875311627 HRXPXSOLYXYSOE-HWKANZROSA-N 318.337 0.025 0 50 DCAA CO[C@@H]1C[C@H](C)CN(C(=O)c2cccc(-c3nc(=O)o[nH]3)n2)C1 2325849830 BKTAEJXDFRDHGF-VHSXEESVSA-N 318.333 0.922 0 50 DCAA CC(=O)OC[C@]12[C@H](C)C=C[C@H](O)[C@@H]1O[C@@](C)(O)[C@@H]2OC(C)=O 2332918233 MRYZDFITROLJTA-GCVRMMMFSA-N 314.334 0.142 0 50 DCAA CC(C)Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 272524 VGTRQATWMLCOAZ-UHFFFAOYSA-N 308.386 0.365 0 50 DCAA CC(C)(C)NC[C@H](O)COc1cccc2c1C[C@H](O)[C@@H](O)C2 11592715 VWPOSFSPZNDTMJ-QEJZJMRPSA-N 309.406 0.635 0 50 DCAA biogenic,in-vitro CC(=O)N1CCC[C@@H](C(=O)N2CCN(c3ncccn3)CC2)C1 61477379 ODXDNYFQSUIVKW-CQSZACIVSA-N 317.393 0.384 0 50 DCAA CN(C)CCNC(=O)c1ccccc1C(=O)NCCN(C)C 71770727 VRLMAFKGSAWDSH-UHFFFAOYSA-N 306.410 0.269 0 50 DCAA Cc1nn(CCO)cc1CN1CC[C@H]2NCCC[C@]2(C(=O)O)C1 72478599 JLTAXAHSBFZKBP-ZBFHGGJFSA-N 322.409 0.213 0 50 DCAA COCCn1cnnc1CCNC(=O)c1cn2ccsc2n1 91551276 ZPMAFZVNZNMBPG-UHFFFAOYSA-N 320.378 0.606 0 50 DCAA Cc1cc(C(=O)NCCSc2nnnn2C)c(=O)[nH]c1C 91849006 IHDNQOOJRUGFBV-UHFFFAOYSA-N 308.367 0.037 0 50 DCAA CCN1CCN(C[C@@H]2CN(c3ncccc3F)C[C@@H]2CO)CC1 95357253 OYCSJKYFIZQUJY-HUUCEWRRSA-N 322.428 0.903 0 50 DCAA Cc1ccnc(N2CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)c1 159241185 WJIKKRJOMQWFKU-AWEZNQCLSA-N 316.405 0.907 0 50 DCAA COC(=O)[C@H](CNC(=O)OC(C)(C)C)N1CC[C@H](CO)C1 170611936 LJZFUCJMVFLCBI-QWRGUYRKSA-N 302.371 0.367 0 50 DCAA Cc1nn(CC(=O)NCC[C@@H](C)N2CCN(C)CC2)c(C)c1C 215626870 QUECXCQRACTPNN-CYBMUJFWSA-N 321.469 0.951 0 50 DCAA Cc1cc(C)c2nonc2c1S(=O)(=O)N[C@H]1CC[C@H](N)C1 216598370 STMKQDUPZIYNKV-UWVGGRQHSA-N 310.379 0.998 0 50 DCAA O=C(Cn1ccc(=O)cc1)N1CCC(N2CCOCC2)CC1 221424719 YZMCBBZCJXJVKM-UHFFFAOYSA-N 305.378 0.172 0 50 DCAA CN(C)C(=O)N1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1 223379040 CUWKJJHEPPSICT-UHFFFAOYSA-N 319.413 0.067 0 50 DCAA CN(CC(=O)O)C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 237156512 VTCRWUZAMFVBNH-CYBMUJFWSA-N 304.346 0.621 0 50 DCAA CCOCCN1CCN([C@@H](C)C(=O)Nc2ncccn2)C[C@H]1C 247130954 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0 50 DCAA Cc1cc(C(=O)NC2(C(=O)O)CCOCC2)c(=O)n(C)c1C 426530690 BFMMARWKGMIFGF-UHFFFAOYSA-N 308.334 0.366 0 50 DCAA C[C@H]1CNCCN1S(=O)(=O)c1ccc2oc(=O)n(C)c2c1 534631761 AIUSMSJRZMAUQE-VIFPVBQESA-N 311.363 0.114 0 50 DCAA Cn1nnnc1SCC(=O)NCC1(Cn2cccn2)CC1 534655069 COPMDVZCPNECSY-UHFFFAOYSA-N 307.383 0.095 0 50 DCAA CNC(=O)c1noc(CNC(=O)N(C)[C@H](C)c2cccnc2)n1 584886453 SMNQGORKXDFFNJ-SECBINFHSA-N 318.337 0.727 0 50 DCAA COc1cc(C(=O)N[C@@H](CCSC)c2nn[nH]n2)sn1 585131209 ONGVEOJJZBNFQM-LURJTMIESA-N 314.396 0.889 0 50 DCAA COc1cc(CC(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)ccn1 615209146 MCDBPBXEXGHLOI-TZMCWYRMSA-N 307.394 0.546 0 50 DCAA CC(C)c1n[nH]c(CNC(=O)[C@@H]2COCCN2CC(F)F)n1 622634188 BNNQSJMTANQBHD-VIFPVBQESA-N 317.340 0.510 0 50 DCAA Cc1cc(NC(=O)N2CCN3C(=O)CC[C@@H]3C2)c(N(C)C)nn1 667483866 UNRGPCYOUMCXDO-LLVKDONJSA-N 318.381 0.690 0 50 DCAA Cc1ccnc(NC(=O)CCC(=O)N[C@@H]2CC(=O)N(C)C2)c1 670441031 DUISLVLMKVQDCF-LLVKDONJSA-N 304.350 0.456 0 50 DCAA O=C1CC2(CCN(C(=O)CN3CCCCCC3)CC2)CC(=O)N1 670464770 QLQFLUXPWTWEAG-UHFFFAOYSA-N 321.421 0.908 0 50 DCAA CC1(C)CN(C(=O)c2ccnc(-n3ccnc3)c2)C[C@H](CO)O1 817625324 KGAUWXBXHARGSK-CYBMUJFWSA-N 316.361 0.879 0 50 DCAA CN1CCCC[C@@H]1CNC(=O)CCC(=O)Nc1nncs1 827814668 WOFLLNKWEVPLCL-SNVBAGLBSA-N 311.411 0.857 0 50 DCAA Cn1c(=O)n(CCC(=O)N[C@@]2(C)CCNC2=O)c2ccccc21 889045160 ZRGYIBINUCSASY-INIZCTEOSA-N 316.361 0.125 0 50 DCAA CN(C)C[C@]1(O)CCN(c2nc(C3CCOCC3)ns2)C1 895010620 SYHQZWLBXIIOEZ-CQSZACIVSA-N 312.439 0.935 0 50 DCAA CN(C)S(=O)(=O)NCc1nc(-c2ccc(F)c(F)c2)no1 904368873 JVJFKQLZEWQFNJ-UHFFFAOYSA-N 318.305 0.911 0 50 DCAA CCOc1cc(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)[nH]n1 1362136120 FZIOUJBLNKLZCO-JTQLQIEISA-N 313.379 0.600 0 50 DCAA COC[C@H]1CCCN(S(=O)(=O)NCC2CCOCC2)C1 1506423912 AAFGSADUQPSRIS-ZDUSSCGKSA-N 306.428 0.606 0 50 DCAA Cc1ncc(C)c(N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)n1 1704325105 DISZHVYCJZUIID-RYUDHWBXSA-N 314.411 0.412 0 50 DCAA O=C(O)c1cc2c(nc1N1CCC([C@@H](O)CO)CC1)CCC2 1772812092 AIGXXJIFVHROLD-AWEZNQCLSA-N 306.362 0.838 0 50 DCAA Cc1cc(NC(=O)Cn2cc(O[C@@H]3CCC[C@@H]3N)cn2)n(C)n1 1775958442 ZSTUDDJEFSKXOE-QWHCGFSZSA-N 318.381 0.822 0 50 DCAA O=C1N[C@@H]2COC[C@H]1CN(C(=O)C1Cc3ccccc3C1)C2 1857720735 HMEUURMJKZFOKQ-CABCVRRESA-N 300.358 0.375 0 50 DCAA O=S(=O)(CCn1cnnn1)NC[C@H]1CCCc2ccccc21 1875288426 BXFIGIXDAVBICL-CYBMUJFWSA-N 321.406 0.713 0 50 DCAA CCOC(=O)CN(C)C(=O)COc1ccc(-c2nn[nH]n2)cc1 1875324400 XCTNUHJCMGAGDY-UHFFFAOYSA-N 319.321 0.267 0 50 DCAA CN(C)C(=O)C[C@@H]1CN(c2cccc(F)c2C(N)=O)C[C@H]1O 1875398262 JFGUFOBEJKCZQT-BXKDBHETSA-N 309.341 0.200 0 50 DCAA CN(C)C(=O)C[C@@H]1CN(Cc2ccc3n[nH]cc3c2)C[C@H]1O 1875398429 PTNBPTVYOOGTTI-UKRRQHHQSA-N 302.378 0.834 0 50 DCAA C[C@@H]1CC[C@@H](C(=O)N2CC[C@@H](CCNC(=O)c3cnc[nH]3)C2)O1 2325874577 SFNGXXJRXMRNGE-BZPMIXESSA-N 320.393 0.946 0 50 DCAA COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)NCCCO 1812465 AFLPWHOCBJZSFL-GQCTYLIASA-N 315.347 0.454 0 50 DCAA biogenic,in-vitro NC1=NN(c2ccc(S(=O)(=O)C(F)F)cc2N)C(=O)C1 2163803 OUJSFYQSAYIGOQ-UHFFFAOYSA-N 304.278 0.274 0 50 DCAA CC1=NNc2nc3c(c(=O)n(CC(C)C)c(=O)n3C)n2[C@@H]1C 10333124 RZDKFBJNGCZZCP-SECBINFHSA-N 304.354 0.915 0 50 DCAA COc1ccc([C@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)cc1OC 9011844 DKYOIAYZZLMQRA-MRVPVSSYSA-N 316.317 0.843 0 50 DCAA Cc1onc(N)c1S(=O)(=O)NCc1ccc2c(c1)CNC2 420425516 IYYXNNWEMKWYDL-UHFFFAOYSA-N 308.363 0.647 0 50 DCAA O=C(O)c1cncc(N2CCN(C3CCCC3)C[C@@H](O)C2)n1 217375427 NQZFJRMKIRKQLT-GFCCVEGCSA-N 306.366 0.600 0 50 DCAA CC(=O)O[C@H]1[C@@H]2OC(C)(C)O[C@@H]2O[C@H]1[C@H]1COC(C)(C)O1 25627848 QZKDRLZSJSWQPS-LVEVGFFFSA-N 302.323 0.946 0 50 DCAA CCCO[C@H]1CCCN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)C1 67908230 OAAGGBKUFRNYKX-LBPRGKRZSA-N 309.366 0.263 0 50 DCAA Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 252517943 VNKFGBHXSURZPN-UVBJJODRSA-N 320.437 0.757 0 50 DCAA C[C@H](NC(=O)NC[C@H]1COC2(CCCCC2)O1)C(=O)N(C)C 253427644 AJPJGDJIYDBCMU-RYUDHWBXSA-N 313.398 0.838 0 50 DCAA COc1cccc(CN2CCOC[C@@H]2CO)c1OCCN(C)C 215380819 QHHAZFNCVQQGGM-HNNXBMFYSA-N 324.421 0.829 0 50 DCAA COc1cc(C)ccc1S(=O)(=O)N1CCC(C(N)=O)CC1 32498338 TVAXRTKGQLEYJV-UHFFFAOYSA-N 312.391 0.890 0 50 DCAA Cn1cc(N2CC[C@H](NC(=O)[C@@H]3CC34CCNCC4)C2=O)cn1 261982242 WLKYROVPCXXOSV-STQMWFEESA-N 317.393 0.031 0 50 DCAA O=C(Nc1ncn(CC(=O)N2CCCCCC2)n1)[C@@H]1CCNC1 238153581 OQPIFJWJZAETOM-GFCCVEGCSA-N 320.397 0.229 0 50 DCAA COCC(=O)N1CCc2[nH]c(-c3ccc(C(N)=O)cc3)nc2C1 223729668 FIEOODUQFRIITM-UHFFFAOYSA-N 314.345 0.707 0 50 DCAA CO[C@@]12CC[C@@H](Oc3ccccn3)C[C@@H]1N(CC(N)=O)CC2 426512038 GCNMZOLLHYMRJJ-DVOMOZLQSA-N 305.378 0.958 0 50 DCAA Cc1ccn2c(C(=O)N(C)Cc3n[nH]c4c3CCC4)nnc2n1 426624869 UPRHKNZGEULHSS-UHFFFAOYSA-N 311.349 0.917 0 50 DCAA CN(CCCc1nccn1C)C(=O)NCCc1nncn1C 426399180 HXQAYBZXHAKMAU-UHFFFAOYSA-N 305.386 0.365 0 50 DCAA Cc1cc(=O)c(C(=O)NCCN2CCC[C@@H](CO)C2)cn1C 426403487 LVWFDDJCBCIEGY-CYBMUJFWSA-N 307.394 0.128 0 50 DCAA Cn1ccnc1[C@@H](NC(=O)CN1CCCNC1=O)C(C)(C)CO 616870220 OUAZHRDMFGYUDS-GFCCVEGCSA-N 323.397 0.011 0 50 DCAA CC(C)n1cnnc1CN(C)C(=O)CCN(C)[C@@H]1CCN(C)C1 426505685 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320.393 0.233 0 50 DCAA Cc1cccc(CN2C[C@H]3COC[C@@H]2CN(CC(=O)O)C3)n1 1704315803 DNMBJAKCPYXBHT-ZFWWWQNUSA-N 305.378 0.607 0 50 DCAA COC1(C(=O)N2CCC[C@@]3(CCc4c[nH]nc43)C2)CCNCC1 1857684359 KXIJZVWVUDZKFC-MRXNPFEDSA-N 318.421 0.985 0 50 DCAA CN(CC(=O)N1CCO[C@@H]2C[C@H](CO)C[C@@H]21)Cc1ccncc1 1857695689 ULZNWHRVTISLHF-OWCLPIDISA-N 319.405 0.512 0 50 DCAA O=C(CCc1cnccn1)N[C@H]1C[C@H]2CO[C@H](C3CC3)CN2C1 1857715573 YFIFJEMVLHWKFI-JYJNAYRXSA-N 316.405 0.777 0 50 DCAA CN(C)C/C=C/C(=O)NCc1nn(C)c(=O)c2ccccc12 1875377086 RWRFLLSQRBLONA-RMKNXTFCSA-N 300.362 0.668 0 50 DCAA Cn1[nH]c(C(=O)N2CCCN(c3ccccc3)CC2)nc1=O 2100483062 PDCXTLCPNOKVDU-UHFFFAOYSA-N 301.350 0.461 0 50 DCAA CN1C[C@H]2C[C@@H](N(C)C(=O)c3ccc(=O)n(C)c3)C[C@H]2CC1=O 2356167869 GRZCTQHYRDVQDS-MJBXVCDLSA-N 317.389 0.714 0 50 DCAA O=CN(CCN(C=O)CN1CCCCC1)CN1CCCCC1 4872697 LVRJYOIKHPLLSZ-UHFFFAOYSA-N 310.442 0.790 0 50 DCAA C[C@@H]1CNCCN1C(=O)NCC(=O)N1Cc2ccccc2C1 418110776 CSRMWFXICWYQEF-GFCCVEGCSA-N 302.378 0.532 0 50 DCAA 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C[C@@H](NC(=O)[C@@H]1CNCCO1)c1ccc2c(c1)CCC(=O)N2 237363197 DFONJXMZJFPHFA-YGRLFVJLSA-N 303.362 0.737 0 50 DCAA O=C(O)[C@@H]1CN(S(=O)(=O)c2cc3ccccc3o2)CCN1 71747472 JJRONOSKPOEJFK-JTQLQIEISA-N 310.331 0.480 0 50 DCAA CC1(C)CN(S(=O)(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)O)C3)CCO1 263466591 GJTIQYKLHTYKDK-AXFHLTTASA-N 318.395 0.280 0 50 DCAA CS(=O)(=O)N1CCc2c(NC(=O)[C@H]3C[C@H]3C(=O)O)cccc21 263558562 AKVKSCVSOCSDCN-VHSXEESVSA-N 324.358 0.668 0 50 DCAA Cc1cnc(CNC(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)[nH]1 426503594 RXEWMHQLSQSJGJ-STQMWFEESA-N 307.398 0.459 0 50 DCAA CN1CCC[C@]2(CCN(C(=O)CN3CCCCCC3=O)C2)C1=O 91725741 BYWYGKNJALKMIU-QGZVFWFLSA-N 321.421 0.860 0 50 DCAA CCC[C@]1(C(=O)O)CCCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 91645779 SATJQEIRILKVOU-HNNXBMFYSA-N 323.349 0.181 0 50 DCAA O=C(CN1CCN(Cc2ccoc2)C[C@@H](O)C1)N1CCCCC1 97610002 MLRRCXYUERLTEL-MRXNPFEDSA-N 321.421 0.771 0 50 DCAA CCOc1ccnc(N2CCN(C[C@H](O)C(F)(F)F)CC2)n1 181690722 XSGGDDPMNKLRHP-JTQLQIEISA-N 320.315 0.921 0 50 DCAA 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CCC(=O)N1CCN(C(=O)C2CCN(c3cnccn3)CC2)C1 333293245 OVTARTNUMLJFGT-UHFFFAOYSA-N 317.393 0.731 0 50 DCAA CO[C@H]1C[C@H](N(C)C(=O)CS(=O)(=O)C2CC2)C12CCC2 333966693 RHHLDTTVDBMQRI-RYUDHWBXSA-N 301.408 0.980 0 50 DCAA CNC(=O)c1cc2cc(NC(=O)[C@@H]3CCNC(=O)C3)ccc2[nH]1 352444737 GKIYUFUJPWEMKO-SECBINFHSA-N 314.345 0.992 0 50 DCAA O=C(C1CCC1)N1CCn2nc(CNc3cnccn3)cc2C1 426425514 VEFMKPABEXIONZ-UHFFFAOYSA-N 312.377 1.428 0 50 DCAA COc1c(F)cccc1C(=O)N[C@H]1COC[C@@H]1N1CCOCC1 534655985 VNALGSNEIFBRCS-KBPBESRZSA-N 324.352 0.664 0 50 DCAA CO[C@@H]1CN[C@H](C(=O)NCc2ccccc2OCCN(C)C)C1 583618989 QHRRAYGRSGABAB-GJZGRUSLSA-N 321.421 0.620 0 50 DCAA Nc1n[nH]c(Cn2cnc3cc(C(F)(F)F)ccc3c2=O)n1 584897706 NHRKVYYJZVBJRS-UHFFFAOYSA-N 310.239 1.164 0 50 DCAA COCCOCCN(C)CCC(=O)NCCc1ccccn1 585121398 OFQOYBQLDOYRRH-UHFFFAOYSA-N 309.410 0.725 0 50 DCAA O=C(N[C@H]1CCOC[C@@H]1O)c1cnn(Cc2ccccc2)c1 629223403 WRLUTUUZHIAZJN-GJZGRUSLSA-N 301.346 0.811 0 50 DCAA COC[C@]1(C(N)=O)CCCN1C(=O)c1ccc(C)nc1OC 643939344 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Cc1c(C(=O)NC[C@@H](O)C(N)=O)ccc2cnc(C3CC3)n12 1615558389 VUEWKFACIOMGLW-GFCCVEGCSA-N 302.334 0.096 0 50 DCAA C[C@H]1C[C@@H](C)O[C@H]1C(=O)Nc1cnc(N2CCNCC2)nc1 1646150605 BJODOISTTSTLQL-DMDPSCGWSA-N 305.382 0.638 0 50 DCAA O=C(O)CN1C[C@@H]2COC[C@H](C1)N(C(=O)Cc1cccs1)C2 1704324652 CLZAOSUKWUOWFE-RYUDHWBXSA-N 324.402 0.534 0 50 DCAA Cn1nc(C(=O)NCc2nnnn2-c2ccccc2)nc1Cl 1857691817 DYEJRFHAXYIYPQ-UHFFFAOYSA-N 318.728 0.374 0 50 DCAA Cc1nnc(N2C[C@H](C(=O)NC3CCOCC3)CC2=O)s1 1857730594 WZULRWMHNGRFCX-SECBINFHSA-N 310.379 0.495 0 50 DCAA Cc1ccc(CC(=O)N2C[C@@]3(C(=O)O)CC[C@]3(C(=O)O)C2)o1 1875336474 FXJWMSNYUNDPFI-HUUCEWRRSA-N 307.302 0.909 0 50 DCAA C=CC(=O)N(C)CCC1CCN(C(=O)[C@@H]2CCC(=O)NC2)CC1 1875388393 ZHVGNLVUYZRNMC-CQSZACIVSA-N 321.421 0.786 0 50 DCAA NC1(C2CCN(C(=O)N[C@H]3CCS(=O)(=O)C3)CC2)CCC1 2325766200 ZRJAKYAJGRQQIV-LBPRGKRZSA-N 315.439 0.477 0 50 DCAA C[C@H]1CC[C@H](CS(=O)(=O)N2CC[C@H]2CS(C)(=O)=O)C1 2325782879 LVENRHBVBYCYHP-SRVKXCTJSA-N 309.453 0.871 0 50 DCAA Cc1nccn1-c1cncc(N2CC[C@@H]([C@@H]3CNC(=O)C3)C2)n1 2325790946 ZJNVMWXBGVLRAW-OLZOCXBDSA-N 312.377 0.933 0 50 DCAA COC(=O)[C@@H](C)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 6071450 VFSGAXLCYJEFEL-UTUOFQBUSA-N 319.361 0.539 0 50 DCAA biogenic COc1cccc([C@H]2CC(=O)Nc3nc(N)[nH]c(=O)c32)c1OC 9012397 UNJPCPWYEMGMLI-MRVPVSSYSA-N 316.317 0.843 0 50 DCAA CN(C)S(=O)(=O)N[C@@H]1CC(=O)N(CCc2ccccc2)C1 11814192 QUGLWSPSHVJEFP-CYBMUJFWSA-N 311.407 0.226 0 50 DCAA CC(C)N1CCNC(=O)[C@@H]1Cc1nc(-c2cccnc2)no1 32590472 SGCBBDCNBCIBRM-LBPRGKRZSA-N 301.350 0.883 0 50 DCAA CC1(C)O[C@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O)[C@H](O)[C@H]2O1 39582347 HEIRVZOWRJGLTR-ZHZXCYKASA-N 324.329 0.442 0 50 DCAA CCNc1ncc(C(=O)NCCNc2nc(C)cc(=O)[nH]2)cn1 91452533 PWMFDCKYLBZWGM-UHFFFAOYSA-N 317.353 0.142 0 50 DCAA O=C(N[C@H]1CN(C2CCOCC2)C[C@@H]1C1CC1)c1cnn[nH]1 91746439 XQIRYOCHQXBHLL-OCCSQVGLSA-N 305.382 0.424 0 50 DCAA CC(=O)C(=O)N1CCC[C@H](c2nnc(Cn3ccnc3)n2C)C1 95389152 MAQAQDQSAGIMDH-LBPRGKRZSA-N 316.365 0.355 0 50 DCAA CNC(=O)c1noc(CNc2nc3c(s2)c(C)nn3C)n1 96149423 DWYWTVKIRLKSMJ-UHFFFAOYSA-N 307.339 0.693 0 50 DCAA Cn1nc(CO)c2c1CCN(Cc1ccccc1OCCO)C2 97179356 UYEJYFVOOHXKLQ-UHFFFAOYSA-N 317.389 0.842 0 50 DCAA CNC(=O)c1cncc(/C=C/C(=O)N2C[C@H](C)N[C@H](C)C2)c1 154257039 PIBDXYHHFGSPKM-AHWSKYQCSA-N 302.378 0.663 0 50 DCAA C[C@H](CNC(=O)c1ccccc1-n1ccnn1)N1CCOCC1 182109996 OASDMTSPRWHWTQ-CYBMUJFWSA-N 315.377 0.718 0 50 DCAA Cc1nccn1[C@H](C)CC(=O)NCCc1nc(N)cc(O)n1 219308206 BMTNMOYEVPWUTB-SECBINFHSA-N 304.354 0.579 0 50 DCAA COc1ccc([C@H](O)C(=O)NCC2(CO)CCOCC2)cc1 219310159 KISFYJDRJSNLBD-AWEZNQCLSA-N 309.362 0.634 0 50 DCAA Cc1ccc(S(=O)(=O)CCC(=O)NCc2n[nH]c(N)n2)cc1 223664375 FUVSSAJHGOMGPG-UHFFFAOYSA-N 323.378 0.176 0 50 DCAA C[C@@H]1CN(C(=O)[C@H](NC(=O)C(=O)O)c2ccccc2)C[C@@H](C)O1 225608148 XQHPCVVRIXJSNU-NQBHXWOUSA-N 320.345 0.564 0 50 DCAA O=C(O)CN(C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)C1CC1 238080321 SHTNUZONRPDNLM-JTQLQIEISA-N 306.318 0.704 0 50 DCAA C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 263358790 RMTIBBWLHXXSHB-GMTAPVOTSA-N 309.366 0.502 0 50 DCAA OCc1ccc(CN2CCC[C@](O)(Cn3ccnn3)C2)cc1 284563344 MJDGHJMJYMUWCE-MRXNPFEDSA-N 302.378 0.798 0 50 DCAA NC(=O)[C@@]1(O)CCCN(c2nc3ccccc3cc2CO)C1 284574865 IYFOXFLMAJQTFK-MRXNPFEDSA-N 301.346 0.544 0 50 DCAA Cc1[nH]c(C(=O)NCCN2CCCC[C@@H]2CO)c(C)c1C(=O)O 299772901 CVZXOXPRPBFHRB-GFCCVEGCSA-N 323.393 0.906 0 50 DCAA Cc1[nH]nc(CCC(=O)N2CC[C@H](CS(N)(=O)=O)C2)c1C 299787331 UOVRJIGHQPQWRN-NSHDSACASA-N 314.411 0.096 0 50 DCAA CC[C@H](C)CN1C(=O)[C@@H](Cc2cn(CCOC)nn2)N=C1O 328610823 JFMDVGLMUJSIAJ-CMPLNLGQSA-N 309.370 0.638 0 50 DCAA Cn1nccc1[C@H]1CCCCN1S(=O)(=O)c1cnnn1C 329580557 PSPLZDRDFFHTIA-LLVKDONJSA-N 310.383 0.465 0 50 DCAA COc1ccnc(CC(=O)N2CCC[C@H]2CN2CCOCC2)c1 329890241 FYBINLNTLOHZHQ-HNNXBMFYSA-N 319.405 0.956 0 50 DCAA CS[C@H]1CN(CC(=O)N(C)CC(F)(F)F)C[C@H]1N(C)C 342584260 QXGARUQJHHTVMO-ZJUUUORDSA-N 313.389 0.985 0 50 DCAA COc1cccc(C(=O)NC2CCN(c3nnnn3C)CC2)c1 370755517 BYMXNZNQILTNNH-UHFFFAOYSA-N 316.365 0.618 0 50 DCAA O=C(Cn1nccc1[C@H]1CCCNC1)NCCCN1CCCC1 426489514 HZYTZMADDLPLHS-HNNXBMFYSA-N 319.453 0.952 0 50 DCAA C[C@@H](C(=O)NCCc1noc(C2CCC2)n1)N1CCN(C)CC1 426689052 BOJDNJLJMZEQDY-LBPRGKRZSA-N 321.425 0.632 0 50 DCAA Cc1nnnn1CCC(=O)N(C)Cc1ccc2c(c1)OCO2 584898990 DCEFWRXYZGCDBQ-UHFFFAOYSA-N 303.322 0.759 0 50 DCAA O=C(N[C@@H](CO)C(=O)NCCc1ccco1)c1ccc(F)cc1 585090311 XTLSCKQKUVMLJW-AWEZNQCLSA-N 320.320 0.868 0 50 DCAA O=C(c1cnn2cccnc12)N1CCC(Nc2cccnn2)CC1 591870622 QPEWONJUVJSLPC-UHFFFAOYSA-N 323.360 1.236 0 50 DCAA CO[C@@](C)(C(=O)O)C(=O)Nc1c[nH]cc(Br)c1=O 663042414 RSUNOWQCEWZRFE-SNVBAGLBSA-N 319.111 0.566 0 50 DCAA Cc1ccn2cc(CNS(=O)(=O)N3CCN(C)CC3)nc2c1 670467173 DMECHXMDEZIRTH-UHFFFAOYSA-N 323.422 0.225 0 50 DCAA COc1ccc(S(=O)(=O)NC(=O)c2cnn(C(C)C)c2)cn1 759831539 XFWGNUCIPUZLDZ-UHFFFAOYSA-N 324.362 0.986 0 50 DCAA C[C@@H]1C[C@@H](NC(=O)[C@H](O)c2cnc[nH]2)C(=O)N1c1ccccc1 866116221 JTFZVWLYNRQIES-MPKXVKKWSA-N 314.345 0.753 0 50 DCAA O=C(NCc1cncc(O)c1)[C@@H]1OCC[C@@H]1Cn1cccn1 886272842 DTYHBWRRWQIYRC-TZMCWYRMSA-N 302.334 0.705 0 50 DCAA CN(C(=O)C1(S(N)(=O)=O)CC1)[C@@H]1CCc2ccccc2C1 889207951 UJQUEUTWVHTDJZ-CYBMUJFWSA-N 308.403 0.823 0 50 DCAA NC(=O)[C@]12CCOC[C@H]1CN(C(=O)CCCc1ccccn1)C2 952851122 UXFMVTOUUQGXGV-DYVFJYSZSA-N 317.389 0.755 0 50 DCAA NC(=O)[C@H]1CC[C@@H](C2CCN(C(=O)Cc3ccncc3)CC2)O1 952888787 PORFABSRJVKROU-LSDHHAIUSA-N 317.389 0.896 0 50 DCAA CCCn1ncnc1[C@H](C)NC(=O)[C@@H]1CCCN(CC(N)=O)C1 952967247 IWXOYZWLTPVCNG-NWDGAFQWSA-N 322.413 0.063 0 50 DCAA O=C(CCn1cc[nH]c(=O)c1=O)N1CCC(c2ncc[nH]2)CC1 1318767981 RDOREAIYSPPGGN-UHFFFAOYSA-N 317.349 0.056 0 50 DCAA CN(C)C(=O)c1cncc(NCCCN2CCC[C@@H](CO)C2)n1 1506427965 VPCCYRYCXAHKBS-CYBMUJFWSA-N 321.425 0.685 0 50 DCAA CCc1c(C)nn(CC(=O)N2CCC([C@H](O)CO)CC2)c1C 1772701656 LYRJUIMNLBQNFF-OAHLLOKOSA-N 309.410 0.654 0 50 DCAA O=C(N[C@H](CCO)C1CCOCC1)c1ccc2nnc(O)n2c1 1776002444 VTKCISZOKQXUPP-GFCCVEGCSA-N 320.349 0.342 0 50 DCAA Cc1nccn1-c1ccccc1CNC(=O)[C@H]1C[C@H](N)[C@@H](O)C1 1857728669 LJPILSWKCWFIJN-DZKIICNBSA-N 314.389 0.895 0 50 DCAA Cc1c(C(=O)N2CCN3C(=O)OC[C@@H]3C2)nc2ccccn12 1857737864 HEDVYGOHZZNRQJ-NSHDSACASA-N 300.318 0.919 0 50 DCAA CN1C(=O)[C@H](O)[C@H](c2nc(C(C)(C)C)no2)[C@H]1c1cnn(C)c1 1875346994 GUBUEUZSZWGFFV-GMTAPVOTSA-N 319.365 0.758 0 50 DCAA CC/C=C\CNC(=O)Cn1cc(Cn2cccc2C(=O)O)nn1 1875356075 SQANSQCLAUUQIE-ARJAWSKDSA-N 317.349 0.909 0 50 DCAA C[C@H](NC(=O)NC1CC(CS(N)(=O)=O)C1)c1ccns1 1875360426 HRFJTDHIDQGPQP-UEJVZZJDSA-N 318.424 0.570 0 50 DCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CCc4nn[nH]c4C3)nn(C)c21 1875402250 CVMWPYCLZINMRB-BDAKNGLRSA-N 316.365 0.759 0 50 DCAA CCc1nc(O)ccc1-c1nc(CC(N)=O)nn1[C@H]1CCOC1 2100482693 RMPOXHFCZZVXHJ-VIFPVBQESA-N 317.349 0.597 0 50 DCAA NC(=O)c1ccc(CN2C(=O)N[C@]3(CC[C@@H]4C[C@@H]43)C2=O)cn1 2325840160 RMHZTUJCSJFLFP-FTGAXOIBSA-N 300.318 0.401 0 50 DCAA Cc1nn(C)cc1CS(=O)(=O)Cc1nnn(C)c1C(F)F 2325870720 MBRDPABDNJWUKR-UHFFFAOYSA-N 319.337 0.910 0 50 DCAA COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N(C)CCO 168069 NYYAHTIJXTWLML-GQCTYLIASA-N 315.347 0.406 0 50 DCAA biogenic CCN1C[C@@H](CN(C)c2nc3nonc3nc2N(C)C)CC1=O 12112115 VSTRKBRUXFZUGP-SECBINFHSA-N 319.369 0.383 0 50 DCAA CCS(=O)(=O)CCNC(=O)c1ccc(-n2cnnc2)cc1 68220454 VOPNNTUREHVBIZ-UHFFFAOYSA-N 308.363 0.432 0 50 DCAA O=C(O)C[C@@H]1COCCN1C(=O)c1ccc(-n2cnnc2)cc1 72134507 VPPXSNYZVCDGTD-CYBMUJFWSA-N 316.317 0.583 0 50 DCAA COC(=O)c1n[nH]cc1CN1CCC[C@]2(C1)CN(C)C(=O)O2 72457019 SVGGUWZLZXRDKP-CQSZACIVSA-N 308.338 0.613 0 50 DCAA CN(C)Cc1nnc(C2CCN(S(C)(=O)=O)CC2)n1C 77300642 XLHZKQWWJZXYQV-UHFFFAOYSA-N 301.416 0.016 0 50 DCAA NC(=O)c1cccc(C[C@H]2CCN(C(=O)C3(CO)CC3)C2)c1 91845661 MBSJEKBYXBVYGQ-CYBMUJFWSA-N 302.374 0.949 0 50 DCAA Cc1noc(CN2CCC3(CCC(=O)N(CCCO)C3)CC2)n1 91914968 INHAOPBMYZISQQ-UHFFFAOYSA-N 322.409 0.965 0 50 DCAA CSc1ncc(C(=O)N2C[C@H](CO)[C@H](CN(C)C)C2)cn1 92099717 WAGJAGBKYWJMKT-VXGBXAGGSA-N 310.423 0.441 0 50 DCAA CN1CCCN(c2cnn(Cc3nccs3)c(=O)c2)CC1 95511619 IYBMGELHXGSFSS-UHFFFAOYSA-N 305.407 0.890 0 50 DCAA COc1ccc(CN2C(=O)N[C@@H](CC(=O)O)C2=O)cc1OC 96222534 GZWTUPGHDHOLEC-VIFPVBQESA-N 308.290 0.599 0 50 DCAA biogenic Cc1cccc(=O)n1CCC(=O)N1CC[C@](O)(CN(C)C)C1 97288796 WKSQEGVTEDOBMN-INIZCTEOSA-N 307.394 0.072 0 50 DCAA CCOC(=O)N1CCN(C(=O)c2cnc(C3CC3)[nH]c2=O)CC1 97654084 YKDSKVSAGUTQKS-UHFFFAOYSA-N 320.349 0.562 0 50 DCAA Cn1cc(-c2ncc(C(=O)N[C@H]3CCC(=O)NC3=O)s2)cn1 152206173 DZAHPAVIPAMXDH-QMMMGPOBSA-N 319.346 0.079 0 50 DCAA COC(=O)CCN(C)S(=O)(=O)N1CC[C@H](C)C[C@H]1[C@@H](C)O 170604017 BXRKHINAZISOHO-TUAOUCFPSA-N 322.427 0.207 0 50 DCAA COCCn1ccnc1CN1C[C@H](O)[C@@H](N2CCCCC2)C1 216310467 RZHMLJIHBOAHLG-GJZGRUSLSA-N 308.426 0.561 0 50 DCAA C[C@H](OC[C@H]1CCCO1)C(=O)N1CCO[C@@H](CC(=O)O)C1 262830658 RZLGZAUKXZYHQG-TUAOUCFPSA-N 301.339 0.273 0 50 DCAA COCCN1Cc2cc(C(=O)NC3CC3)ccc2OCC1=O 263617123 MDOMKSXCRZMBPM-UHFFFAOYSA-N 304.346 0.946 0 50 DCAA O=C(N[C@@H]1CCCN(c2nccnc2O)C1)C1=COCCC1 275537429 FBZXJUSIEWBUPX-GFCCVEGCSA-N 304.350 0.962 0 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NPZRTDIIFNJSKG-UMSGYPCISA-N 311.357 0.912 0 50 DCAA O=C(Cn1cnc2ccccc2c1=O)N1C[C@@H](F)C[C@H]1CO 332112620 FPRPQENWZQNJPH-QWRGUYRKSA-N 305.309 0.328 0 50 DCAA NC[C@H]1CN(C(=O)NCC2(N)C3CC4CC(C3)CC2C4)CCO1 333537320 NHJQWRGGIPZXGG-RWUOKQAASA-N 322.453 0.509 0 50 DCAA Cc1cc(N2CCC[C@H](N3C(=O)NC(C)(C)C3=O)C2=O)n(C)n1 348955194 PUBGDQPZXHHIGY-JTQLQIEISA-N 319.365 0.554 0 50 DCAA CC(C)[C@H](NC(N)=O)C(=O)N1CC(=O)Nc2ccccc2C1 388039370 IPAOYKXYUMRVKG-ZDUSSCGKSA-N 304.350 0.660 0 50 DCAA CNS(=O)(=O)CC(=O)Nc1ccc(F)c(C(=O)OC)c1C 408517069 DGGWUWYHQORVDM-UHFFFAOYSA-N 318.326 0.408 0 50 DCAA CCN1CCN(CC(=O)N[C@H](CC(C)C)c2ncnn2C)CC1 534581077 ZMMXUIOFGDVPCA-CQSZACIVSA-N 322.457 0.656 0 50 DCAA CC1CCN(Cc2ccc(C(=O)N[C@@H]3CNC[C@H]3O)o2)CC1 534584242 HXCVZOSXYYESEU-ZIAGYGMSSA-N 307.394 0.574 0 50 DCAA O=C1NC(=O)[C@@H](CC(=O)N2CCC(Cc3cccnc3)CC2)N1 584888513 WUDBSKRCYARTJH-CYBMUJFWSA-N 316.361 0.461 0 50 DCAA CN(CC(=O)NCCSc1ccccn1)C1CCNCC1 584897031 ZEPWQSZPJFDQHA-UHFFFAOYSA-N 308.451 0.974 0 50 DCAA Cc1cc(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)O)CC2)nc(C)n1 584907986 KKAKWGAIBAKGBU-NWDGAFQWSA-N 304.350 0.463 0 50 DCAA O=S1(=O)CCC[C@H](NS(=O)(=O)CC=C(Cl)Cl)C1 585115821 UPJBNPWVGLPLLQ-ZETCQYMHSA-N 322.235 0.802 0 50 DCAA CN1CCN(C(=O)c2cc(F)c(F)c(F)c2F)[C@@H](CO)C1 585127668 GSPDVQZFAKEDQS-SSDOTTSWSA-N 306.259 0.992 0 50 DCAA CN(C)c1n[nH]c(CNC(=O)N2CCC[C@@]2(C)CCCO)n1 637787824 QGVVDVGSFNZQIK-AWEZNQCLSA-N 310.402 0.707 0 50 DCAA Cc1c([C@H]2CNC[C@@H]2C(=O)N(C)CCn2cccn2)cnn1C 649333245 IAPFKSGVUKMICS-CABCVRRESA-N 316.409 0.387 0 50 DCAA Cc1ccc(C)c(S(=O)(=O)N2CCN(C)[C@@H](CCO)C2)c1 670433738 HVOQTMPOYXIGKQ-AWEZNQCLSA-N 312.435 0.991 0 50 DCAA CC(C)CO[C@@H](C)C(=O)NS(=O)(=O)C[C@@H]1CCCOC1 803006469 XTCFIXGOSNOVII-NWDGAFQWSA-N 307.412 0.920 0 50 DCAA CC[C@@H](C(=O)NCc1ccc(S(N)(=O)=O)cc1)N(C)CC 822555813 QPGVAXKWVFUSAA-ZDUSSCGKSA-N 313.423 0.681 0 50 DCAA COc1cccnc1C(=O)NC[C@@H](C(=O)O)C1CCOCC1 864280116 KLRJAFQVUOWKIM-LLVKDONJSA-N 308.334 0.947 0 50 DCAA CN(C)S(=O)(=O)CCc1cn(Cc2cccs2)nn1 899682049 HBIMRLKRFYTHBL-UHFFFAOYSA-N 300.409 0.822 0 50 DCAA CNC(=O)NCCNC(=O)c1ccc(N2CCC(C)CC2)nc1 910899211 WNNTXRYXLQEEJV-UHFFFAOYSA-N 319.409 0.977 0 50 DCAA CN(C)c1cccnc1CN[C@@H]1C(=O)NCC12CCOCC2 926445783 MSMOSQBQTLAAOF-CQSZACIVSA-N 304.394 0.532 0 50 DCAA Cn1ncc2c(N)nc(NCCCN3CCC[C@H](O)C3)nc21 952970311 HZKNXLQPXUAPIZ-JTQLQIEISA-N 305.386 0.204 0 50 DCAA CNCCNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1Cl 1529190176 FWYGDCQOKHBRAO-OLZOCXBDSA-N 311.769 0.232 0 50 DCAA CS(=O)(=O)Cc1ccc(N2CCC([C@H](O)CO)CC2)nc1 1772807566 PEQXTFWZLHKDEK-CYBMUJFWSA-N 314.407 0.196 0 50 DCAA CCC[C@@H](CNc1n[nH]c([C@H]2CCS(=O)(=O)C2)n1)OC 1776005213 BLSAZNHYIGQJMC-UWVGGRQHSA-N 302.400 0.934 0 50 DCAA c1ccc([B-]2(c3ccccc3)NCC[C@@H]2N2CCNCC2)cc1 1776111380 RUQOAHINONDYMS-IBGZPJMESA-N 306.242 0.553 0 50 DCAA C[C@H]1CN2C[C@H](Nc3cncc(C(=O)N(C)C)n3)C[C@H]2CO1 1857718845 VXBBDIAITAJMEQ-TUAOUCFPSA-N 305.382 0.452 0 50 DCAA O=C(c1cn2c(n1)CCNCC2)N1CCO[C@@H](C(F)(F)F)C1 1857721563 VWCVSVBBSPMYTA-SNVBAGLBSA-N 318.299 0.432 0 50 DCAA Cn1cnc(C(=O)N2CCO[C@@H](CO)[C@@H]2c2ccccc2)c1 1875246376 OPGHZGDKQUGZKF-GJZGRUSLSA-N 301.346 0.995 0 50 DCAA O=C1NCC[C@@H]2CCCN(S(=O)(=O)c3cncs3)[C@H]12 1875300707 ODPFIURPLRAGNM-WPRPVWTQSA-N 301.393 0.432 0 50 DCAA COC(=O)C1=NN[C@]2(CC(=O)N(c3ccc(C)cc3)C2=O)C1 552013 JKNDGDXOARNXTM-HNNXBMFYSA-N 301.302 0.519 0 50 DCAA Cc1ccccc1CS(=O)(=O)C[C@@H](O)CN1CCCC1=O 1391323 VPZWYLSLAONQIO-AWEZNQCLSA-N 311.403 0.893 0 50 DCAA COC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 2267923 KRGFPYHJKNWOGI-LBPRGKRZSA-N 306.318 0.707 0 50 DCAA CSc1ncc(Cl)c(C(=O)N[C@@H]2CCS(=O)(=O)C2)n1 3216629 GIWUPDIEDFBUAB-ZCFIWIBFSA-N 321.811 0.769 0 50 DCAA COCCNc1nc2nonc2nc1N1CC[C@@H](COC)C1 12386250 RUMQZKDDDIGCBW-SECBINFHSA-N 308.342 0.544 0 50 DCAA Cn1c(=O)c2cc(C(=O)Nc3cccnc3)sc2n(C)c1=O 12422750 HBBMVPRWOGMUQW-UHFFFAOYSA-N 316.342 0.946 0 50 DCAA CCCn1ccnc1CN1CCN(c2cc(O)nc(N)n2)CC1 65492442 IFUCNUDGMMFCOP-UHFFFAOYSA-N 317.397 0.693 0 50 DCAA CNCCc1noc(C(=O)NCc2ccc3c(c2)OCO3)n1 66323479 CHOUSRKHZQVEJB-UHFFFAOYSA-N 304.306 0.490 0 50 DCAA COc1cc(C(=O)N2CCC3(CC2)CN(C)CCN3C)ccn1 67587913 BMJCZQSXYNVTGE-UHFFFAOYSA-N 318.421 0.942 0 50 DCAA CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cc(F)c(OC)c(F)c1 67740352 LABNBJRWPCAWHO-KCJUWKMLSA-N 313.304 0.261 0 50 DCAA CC1=C(C(=O)NCc2cn3nc(C)sc3n2)[C@H](C)NC(=O)N1 67787316 MBMWOPGLYGXFPJ-LURJTMIESA-N 320.378 0.691 0 50 DCAA COCCNc1ncc(S(C)(=O)=O)c([C@H]2CCCNC2)n1 71768039 WIAIQXUEQHRIRN-JTQLQIEISA-N 314.411 0.405 0 50 DCAA CN1CCc2[nH]nc(C(=O)N3CC[C@]4(CN(C)C(=O)O4)C3)c2C1 72145672 CIXODAKJUQCTAR-HNNXBMFYSA-N 319.365 0.064 0 50 DCAA c1cnn(C[C@@H]2CN(Cc3cc4n(n3)CCNC4)CCCO2)c1 72153273 SAIRLPFGIPYAGY-INIZCTEOSA-N 316.409 0.474 0 50 DCAA CN(C)C1(CNc2ncnc3c2CCNCC3)CCOCC1 72418788 SFESLZZLDQVAJA-UHFFFAOYSA-N 305.426 0.688 0 50 DCAA CNCCN1C(=O)CC[C@H]2CN(Cc3[nH]cnc3C)CC[C@H]21 72475701 MBGUZKQOQSXTQE-DZGCQCFKSA-N 305.426 0.750 0 50 DCAA O=C(O)CN1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1 82099059 IZLQKTGSFOOHQN-INIZCTEOSA-N 320.393 0.741 0 50 DCAA Cn1ncnc1CCNC(=O)C1CCN(C(=O)C2CCC2)CC1 91746551 BPPKGOHXEWVWLU-UHFFFAOYSA-N 319.409 0.513 0 50 DCAA CCC(=O)N1CCC[C@H](C(=O)NCc2nnc3n2CCCC3)C1 95379744 QKYXNDQMEIFGES-LBPRGKRZSA-N 319.409 0.879 0 50 DCAA O=C(NN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C12CC2)c1cccnc1 145518049 YGHPXWCLUHMOKS-LPWJVIDDSA-N 309.325 0.924 0 50 DCAA Cc1ccccc1OC[C@H](O)C(=O)N1CC(N2CCOCC2)C1 218932814 YJPKVGXLUTYPHO-HNNXBMFYSA-N 320.389 0.278 0 50 DCAA COC(=O)CCN(C)S(=O)(=O)N1CC[C@H](C)C[C@@H]1[C@H](C)O 225405258 BXRKHINAZISOHO-SDDRHHMPSA-N 322.427 0.207 0 50 DCAA COc1cc2oc(=O)ccc2cc1[C@H]1OC(=O)[C@@](C)(O)[C@H]1O 238787328 XSUHWPFITUMCFA-IPYPFGDCSA-N 306.270 0.511 0 50 DCAA biogenic CCc1n[nH]cc1C(=O)N[C@@H](c1cnn(C)c1)[C@H]1C[C@@H](O)C1 243932112 BSZJSCQHPNLVPJ-OLUVUFQESA-N 303.366 0.948 0 50 DCAA CCCS(=O)(=O)c1ccc(S(=O)(=O)NCC(=O)O)cc1 262258181 FRJCQJIVPUSBGK-UHFFFAOYSA-N 321.376 0.233 0 50 DCAA CN(CCC(=O)O)C(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1 268922589 BSGMRWAKCDAAQH-OAHLLOKOSA-N 319.317 0.288 0 50 DCAA COc1ccc(C(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)nn1 275307375 CGXXBDAVLWTKRP-SMDDNHRTSA-N 317.349 0.869 0 50 DCAA CCn1cc([C@H]2OCC[C@@H]2C(=O)NCCN2CCOCC2)cn1 275311891 OMYYGZAFOIDUMZ-LSDHHAIUSA-N 322.409 0.429 0 50 DCAA C[C@H]1CN(C(=O)c2cncc(Cl)c2)CCN1S(C)(=O)=O 294823869 AAOREXMUTTWJFD-VIFPVBQESA-N 317.798 0.841 0 50 DCAA CNC(=O)c1nn[nH]c1NC(=O)Cc1c(OC)cccc1OC 297689943 IPYDYQUCQKIUKM-UHFFFAOYSA-N 319.321 0.363 0 50 DCAA Cc1cn2nc(N3CCC[C@@H]3c3nc(C(N)=O)no3)sc2n1 328637581 WAVMHAHJYCNUKF-SSDOTTSWSA-N 319.350 0.923 0 50 DCAA O=C([C@H]1CCCCN1C(=O)[C@@H]1CCC(O)=N1)N1CCOCC1 329090225 IYCBGWJLGGTIEP-NWDGAFQWSA-N 309.366 0.345 0 50 DCAA COCCO[C@H]1CCCN(C(=O)c2c(C)nc(N)nc2C)C1 338267055 FKAUCHQLDYAHOQ-LBPRGKRZSA-N 308.382 0.943 0 50 DCAA CC1(C)CN(c2cncc(OCCO)n2)C[C@]2(CCOC2)O1 373684609 RYHWZYFXZSLNBW-HNNXBMFYSA-N 309.366 0.622 0 50 DCAA OCCOCCN(CCO)c1ccnc(-c2ccccc2)n1 413452389 HFKSKLMJXAAWBU-UHFFFAOYSA-N 303.362 0.951 0 50 DCAA Nc1cnc(-c2ccc(C(=O)N[C@H]3CCCNC3=O)cc2)cn1 426424379 QMSVWSHPCHZFBQ-LBPRGKRZSA-N 311.345 0.734 0 50 DCAA Cc1ccn2c(C(=O)NCCCN3CCCC3=O)nnc2n1 426503203 BBRGLPVDPSKFTH-UHFFFAOYSA-N 302.338 0.175 0 50 DCAA Nc1nc(=NCCNc2cccnc2)cc([C@H]2CCOC2)[nH]1 426571598 KYASYFFAMLJEAV-NSHDSACASA-N 300.366 0.904 0 50 DCAA O=S(=O)(Cc1ccc(Cl)cc1)NC[C@@H]1CNCCO1 534647245 LTORJAFQJSZIOA-LBPRGKRZSA-N 304.799 0.748 0 50 DCAA CCS(=O)(=O)NC[C@@H](C)NCC1(Cn2cccn2)CC1 534650576 PLQGNSAPIGDXAF-GFCCVEGCSA-N 300.428 0.581 0 50 DCAA COC(=O)CCN1CC[C@H](n2cc(-c3ccncc3)nn2)C1=O 603238662 QDCTYJQJMKIESS-ZDUSSCGKSA-N 315.333 0.677 0 50 DCAA C[C@@H]1NC(=O)N(C[C@H]2CN(Cc3ccncc3)CCO2)C1=O 629501541 BFYUYXRDENGQBE-WCQYABFASA-N 304.350 0.223 0 50 DCAA Cc1nn(CC(=O)N2CC3(CCOCC3)[C@H]2C2CC2)c(=O)o1 640371499 ZWNIMQMNTYABQU-CYBMUJFWSA-N 307.350 0.562 0 50 DCAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)CSc1nnc(N)s1 670456639 WHZPRIPTHVPEIP-RNFRBKRXSA-N 313.408 0.149 0 50 DCAA CC(C)c1noc(CN2CCC[C@](O)(Cc3nncn3C)C2)n1 888076845 LRKVTLWPOIAXLV-HNNXBMFYSA-N 320.397 0.891 0 50 DCAA CN(CCN[C@@H]1CCC(=O)N(CC2CC2)CC1)S(C)(=O)=O 1506407649 KSQVUQIYZPCUKO-CYBMUJFWSA-N 317.455 0.259 0 50 DCAA CN(CC1CCC1)c1nnnn1Cc1ccc(CC(N)=O)cc1 1616031964 HDWQSYNTVCKIEJ-UHFFFAOYSA-N 314.393 0.986 0 50 DCAA CNS(=O)(=O)N[C@@H](C)CC1CN(C(=O)OC(C)(C)C)C1 1775990789 FKSXFLYXPXECBU-VIFPVBQESA-N 307.416 0.686 0 50 DCAA CCc1nc2cc(C(=O)N[C@@H]3CCC(=O)NC3=O)ccc2o1 1857798121 PXECNTWXNPDTJT-SECBINFHSA-N 301.302 0.925 0 50 DCAA N[C@@H]1[C@@H]2CC[C@H]1N(C(=O)C(=O)N1CCC[C@H](C3CCC3)C1)C2 1875318045 BJOSFPKBAJHRGI-GBJTYRQASA-N 305.422 0.973 0 50 DCAA COc1cc(C)c(C(=O)N2CCn3cnnc3C2)cc1C(=O)O 1875319238 USYZBXVAADXPDA-UHFFFAOYSA-N 316.317 0.949 0 50 DCAA CN=c1ncc(CNc2cc(C(=O)NC)ccc2OC)c[nH]1 1875319829 USPMMWUBCIIGEB-UHFFFAOYSA-N 301.350 0.921 0 50 DCAA CC1(C)C[C@H](CCN2CCc3nc(O)nc(O)c3C2)C(=O)N1 1875321753 UGDRBFUXZZNFKY-VIFPVBQESA-N 306.366 0.551 0 50 DCAA CC[C@@H](CNC(=O)N1CCC[C@](COC)(C(=O)O)C1)C(=O)O 1875345367 YNURCJVODQDIRA-HZMBPMFUSA-N 316.354 0.620 0 50 DCAA CS(=O)(=O)NC(=O)c1nc(C2CC2)n(-c2ccccc2)n1 1875390329 KZXVEDQTQNWXSC-UHFFFAOYSA-N 306.347 0.834 0 50 DCAA Cn1ccc(CS(=O)(=O)NC(=O)[C@@H]2[C@H]3CC(F)(F)C[C@H]32)n1 2325788008 HPXFOOWSNWXDHW-MYJAWHEDSA-N 319.333 0.657 0 50 DCAA COC(=O)c1cc(NS(=O)(=O)c2cncc(F)c2)nn1C 2325818990 LHGYJCPCVGKWNK-UHFFFAOYSA-N 314.298 0.542 0 50 DCAA NC(=O)C1CCN(C(=O)[C@H]2CC(c3ccccc3O)=NO2)CC1 815005 GGIVGBOIBFVZBA-CQSZACIVSA-N 317.345 0.609 0 50 DCAA OC[C@@H]1O[C@H](Nc2cccc3ccccc23)[C@H](O)[C@H](O)[C@@H]1O 3878469 JRKZPBBOEFJXRA-GCSSGZNBSA-N 305.330 0.052 0 50 DCAA CC1(C)C(=O)NCCN1C(=O)c1ccc2c(c1)CCC(=O)N2 110707540 DFTOIJNJZQFIKJ-UHFFFAOYSA-N 301.346 0.922 0 50 DCAA OCCN1CCN(c2nncc(-c3ccccc3F)n2)CC1 20998008 UPNYDNGPDMPKHX-UHFFFAOYSA-N 303.341 0.792 0 50 DCAA CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1ccncc1F 67542186 QBZDCTNFANSTRT-MFKMUULPSA-N 308.357 0.631 0 50 DCAA Cc1c(CNC(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)cnn1C 119606758 ZFYVKMCRCRMZNB-JTQLQIEISA-N 302.338 0.121 0 50 DCAA O=C(NC[C@H]1CCCO1)N[C@@H]1CCCN(c2ncccn2)C1 229786728 DWBSVUKFUDTVDV-CHWSQXEVSA-N 305.382 0.924 0 50 DCAA CCNC(=O)[C@@H]1C[C@H](N)CN1C(=O)Cc1nc2ccccc2[nH]1 67820489 GSXYDHKGHVSPTC-GWCFXTLKSA-N 315.377 0.170 0 50 DCAA CO[C@@H]1C[C@@H]2C(=O)N([C@@H]3CC(=O)N(C(C)(C)C)C3)C(=O)N2C1 253432519 KWADENYROKUUKK-GMTAPVOTSA-N 309.366 0.437 0 50 DCAA CN(C)c1ccc(CN2CCN(CCn3cncn3)CC2)cn1 77534969 AIRSPBBDBBSIES-UHFFFAOYSA-N 315.425 0.557 0 50 DCAA O=C1CC[C@H](NC(=O)c2c[nH]nc2C2CC2)[C@@H]([C@H]2CCCO2)N1 378017086 JIYHHLCFYFBAIZ-ZOWXZIJZSA-N 318.377 0.843 0 50 DCAA Cn1c(=O)[nH]c2ccc(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)cc21 262680250 AHHCGIIFUIPBCS-VHSXEESVSA-N 303.318 0.850 0 50 DCAA CC[C@H](CO)Nc1ccnc(C(=O)N[C@H]2CCCCNC2=O)c1 71712043 DPKHKBQMJPHCRU-YPMHNXCESA-N 320.393 0.663 0 50 DCAA CC[C@H](N[C@@H]1CCN(S(=O)(=O)C(C)C)C[C@H]1C)C(N)=O 241965626 UUMUJHAJBSECHI-GRYCIOLGSA-N 305.444 0.289 0 50 DCAA CO[C@@H]1C[C@@H](c2nc(C)n[nH]2)N(C(=O)Cn2nc(C)cc2C)C1 284616892 OUALZIKSINEFGC-OLZOCXBDSA-N 318.381 0.915 0 50 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318.399 0.079 0 50 DCAA CC1(Cn2cc(C(=O)NC3(C(=O)O)CCCCC3)nn2)COC1 797432335 XJAKVARPNFORIV-UHFFFAOYSA-N 322.365 0.832 0 50 DCAA O=S(=O)(NCCCN1CCC[C@H](CO)C1)N1CCCC1 828711192 PJWGYOFHLZJMCE-ZDUSSCGKSA-N 305.444 0.011 0 50 DCAA O=C(c1ccc(F)cc1)N1CCN([C@]2(C(=O)O)CCOC2)CC1 886096943 PLNHBDOYKOOTMH-MRXNPFEDSA-N 322.336 0.827 0 50 DCAA COCCOc1cccc(C(=O)N2CC(N3CC[C@H](O)C3)C2)c1 888094271 DHPYFMPHAGCDKK-HNNXBMFYSA-N 320.389 0.603 0 50 DCAA Cc1cc(C(F)(F)F)c(N2C[C@H]3C(=O)NC(=O)[C@H]3C2)nn1 894071791 QVOWUYLQOJJFHZ-KNVOCYPGSA-N 300.240 0.513 0 50 DCAA CCn1ncnc1CN1C[C@@H](CC(=O)O)[C@@H](c2cnn[nH]2)C1 1076049951 IPXCXYHOVKEUBZ-ZJUUUORDSA-N 305.342 0.106 0 50 DCAA COc1cc(C)c(C)cc1S(=O)(=O)N(C)C[C@@H](O)CO 1260769764 TZNVWQATUCQAHW-LLVKDONJSA-N 303.380 0.286 0 50 DCAA CCOC1CC(CC(=O)N[C@H]2CC(=O)N(c3cnn(C)c3)C2)C1 1615586930 SLXIKASJDTYKJZ-LXVYMNJGSA-N 320.393 0.847 0 50 DCAA Cn1ncc(S(=O)(=O)N2[C@H](C(=O)O)C[C@@H]3CCCC[C@@H]32)n1 1616037842 BQAQOVWZBXFBSU-GUBZILKMSA-N 314.367 0.222 0 50 DCAA 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330822797 PSNALJXVIWNLRD-UHFFFAOYSA-N 309.414 0.820 0 50 DCAA COCC1(CNC(=O)NC[C@@H]2CCS(=O)(=O)C2)CCC1 336943728 JZHXCMRXKKIQHD-NSHDSACASA-N 304.412 0.537 0 50 DCAA C[C@@H]1CC(=O)NCCN1C(=O)c1ccc(N2CCNC2=O)cc1 371003566 BNIDQXDYXZGADX-LLVKDONJSA-N 316.361 0.567 0 50 DCAA CN1C(=O)C[C@@H](CNC(=O)C2=CCCCO2)[C@@H]1c1cnn(C)c1 373036399 LYWNAAOUBDSUCB-XHDPSFHLSA-N 318.377 0.750 0 50 DCAA CC(C)Cc1cc(C(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)nc(N)n1 534581717 JOCNJZSETGRDQC-VXGBXAGGSA-N 317.393 0.807 0 50 DCAA CCC(CC)(C(=O)N[C@H](CO)C(=O)OC)C(=O)OC(C)(C)C 585090291 HDBIOHNAAKXTBT-SNVBAGLBSA-N 317.382 0.785 0 50 DCAA Cc1nn(CC(=O)N2CC3(CCOCC3)[C@@H]2C2CC2)c(=O)o1 640371500 ZWNIMQMNTYABQU-ZDUSSCGKSA-N 307.350 0.562 0 50 DCAA Cc1c[nH]nc1C(=O)N1CC[C@@H](c2cc(O)nc(N(C)C)n2)C1 685942907 SRFJFWFVIYZHKX-SNVBAGLBSA-N 316.365 0.909 0 50 DCAA Cc1nscc1C(=O)N1CC[C@@H](n2cc(C(=O)O)nn2)C1 818315416 FMQKJKOYSMBJIG-MRVPVSSYSA-N 307.335 0.828 0 50 DCAA CC(C)NC(=O)COc1c2c(cc3c1C(=O)N(C)CC3)OCO2 821789251 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638007814 UKIVZIPIIZRSOE-OAHLLOKOSA-N 304.390 0.749 0 50 DCAA CS(C)(=O)=NC(=O)CNC(=O)NC[C@@H]1CCCC1(F)F 585137758 RXGXOQKUWXYIMQ-QMMMGPOBSA-N 311.354 0.975 0 50 DCAA CO[C@](C)(C(=O)O)C(=O)NCc1ccc(S(C)(=O)=O)s1 663044710 SDEIXWXKWUWCTC-NSHDSACASA-N 321.376 0.258 0 50 DCAA CN(C(=O)c1n[nH]c2c1COCC2)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704303441 YREHLTLFUTVUNQ-OUAUKWLOSA-N 318.377 0.469 0 50 DCAA C[C@H](NC(=O)CN1[C@@H](CO)CCS1(=O)=O)c1cccs1 1615570937 FCVLOSUNBFQVCS-VHSXEESVSA-N 318.420 0.322 0 50 DCAA CN(CC(=O)N1CCNC[C@](C)(F)C1)C(=O)c1ccsc1 1615049897 PJZCMQFMDJRYTN-AWEZNQCLSA-N 313.398 0.980 0 50 DCAA O=C(O)c1cccc(N2CCCN(C(=O)[C@H]3CCOC3)CC2)n1 1775977646 JFDJVCRTIYJPJO-LBPRGKRZSA-N 319.361 0.855 0 50 DCAA O=C(Cn1nnc2ccccc2c1=O)N=c1[nH]c2ccccc2[nH]1 5207122 JRUSVTWOXRDQMS-UHFFFAOYSA-N 320.312 0.728 0 50 DCAA CN(C)C1(C(=O)N2CCNC(=O)CC2)Cc2ccccc2C1 12453821 ARSVDXPCELXKTG-UHFFFAOYSA-N 301.390 0.434 0 50 DCAA COc1cc2c(cc1CN1CC[C@H](CO)[C@H](O)C1)OCCO2 1857712010 CYBTUKMMSKOSHX-DGCLKSJQSA-N 309.362 0.642 0 50 DCAA Cc1ccc(C(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3C)c(O)c1 1857716874 IFBDYMZOBFAJFC-NEPJUHHUSA-N 304.346 0.630 0 50 DCAA O=C(O)[C@@H](CNC(=O)[C@H]1CCCS1(=O)=O)C1CCCCC1 630267083 LWNJMXBEFTUTJB-NWDGAFQWSA-N 317.407 0.961 0 50 DCAA CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC[C@@]2(C)[C@@H](C1)C2(F)F 329135449 CEBNXAUHMVEEJA-WGBDABJCSA-N 302.321 0.472 0 50 DCAA O=C1NCC[C@@H]1C(=O)N1CCN(c2ccc(Cl)cn2)CC1 667311728 SISLMECYUUHBIJ-NSHDSACASA-N 308.769 0.520 0 50 DCAA C[C@](NC(=O)c1ccc(C(=O)O)nc1)(C(N)=O)c1ccccc1 676227591 MOBBVWNAJFWTCA-MRXNPFEDSA-N 313.313 0.910 0 50 DCAA COc1cc(C)ccc1OCC(=O)N1C[C@H]2[C@@H](C1)OCCN2C 151749245 RKPCXKJOIHDVKC-XJKSGUPXSA-N 320.389 0.924 0 50 DCAA NC(=O)[C@@H]1C[C@@H](O)CN1CCc1ccc2c(c1)OC(F)(F)O2 585099538 RTQOQYPXBIGAFA-ZJUUUORDSA-N 314.288 0.471 0 50 DCAA NCc1cn([C@@H]2CCCN(C(=O)c3ccc(F)c(N)c3)C2)nn1 842509108 GJJQVMITYHVKMB-GFCCVEGCSA-N 318.356 0.935 0 50 DCAA Cc1nc(S)sc1CC(=O)NC[C@@H]1CCCS1(=O)=O 154220381 XYLCWSUNXHMFKB-QMMMGPOBSA-N 320.461 0.976 0 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Cc1c(S(=O)(=O)N[C@H](c2nccn2C)C2CC2)cnn1C 534582508 IEERBFYZHICXDI-LBPRGKRZSA-N 309.395 0.892 0 50 DCAA CCCn1nccc1S(=O)(=O)N[C@@H](C)CN1CCOCC1 534590716 ZGFDDSMPFWPEDM-LBPRGKRZSA-N 316.427 0.292 0 50 DCAA Cn1cnnc1[C@H]1CN(C(=O)NC[C@H]2CCCS2)CCO1 583622862 IXHRDSGPAAPXJL-GHMZBOCLSA-N 311.411 0.794 0 50 DCAA C[C@@H](C(=O)NCCc1nnc(O)n1C)N(C)C1CCCCC1 584896758 RNUCWQHDOHZQBP-NSHDSACASA-N 309.414 0.832 0 50 DCAA CCn1ncnc1CN1C[C@@H](COC)[C@H](c2cnn(C)c2)C1 585655516 CRHBCTQUQNEUGF-KBPBESRZSA-N 304.398 0.894 0 50 DCAA Cn1nncc1CC(=O)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 612730623 HCHZCHXVWLYGKQ-IUODEOHRSA-N 303.410 0.833 0 50 DCAA COc1ccc(-c2nnc3n2CCS(=O)(=O)CC3)cc1OC 630951533 LJWRWJJYPSINBT-UHFFFAOYSA-N 323.374 0.933 0 50 DCAA CN1CCC[C@@H]1CN1CCN(c2cncc3ncnn23)CC1 649589745 AIROBZANMGNXIG-CYBMUJFWSA-N 301.398 0.341 0 50 DCAA O=C(N[C@H]1CCO[C@H]1C(=O)O)c1cccc(-n2cccn2)n1 659175330 XWHXUIYSDBXRHO-JOYOIKCWSA-N 302.290 0.239 0 50 DCAA NC[C@H]1CN(C(=O)[C@@H]2OCCO[C@@H]2c2ccccc2)CCO1 662553941 NZKCGXIIDGDTTP-RRFJBIMHSA-N 306.362 0.329 0 50 DCAA C[C@@H](NC(=O)c1ccc(OCC(N)=O)cc1)c1nncn1C 670455851 IVJKETQEHYBQSP-SECBINFHSA-N 303.322 0.170 0 50 DCAA CN1CC[C@](C)(C(=O)N2CCC3(CC2)CN(C)C(=O)CO3)C1 670468944 JKSUFPFLJMEZKM-HNNXBMFYSA-N 309.410 0.178 0 50 DCAA Cc1nc(C)c(F)c(N2CCC(CNS(C)(=O)=O)CC2)n1 672324627 WSWLBSWPQWJLMW-UHFFFAOYSA-N 316.402 0.998 0 50 DCAA Fc1cncc(N2CCN(Cc3nnnn3C3CC3)CC2)c1 677714199 RPTUPPBBIYKNLM-UHFFFAOYSA-N 303.345 0.864 0 50 DCAA C[C@]1(O)CCN(c2ccc(S(N)(=O)=O)c3cccnc23)C1 762540388 GMHMAMOAPINESG-AWEZNQCLSA-N 307.375 0.843 0 50 DCAA CO[C@H]1CCCCN(CC(=O)N(C)Cc2cc(C)on2)C1=O 886074748 SVJUMPPYQOJCNX-ZDUSSCGKSA-N 309.366 0.969 0 50 DCAA COC(=O)c1cc(S(=O)(=O)NCc2c(C)n[nH]c2C)c[nH]1 952883005 LZARQTGCPXNJLP-UHFFFAOYSA-N 312.351 0.620 0 50 DCAA Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC(=O)N(C)C[C@@H]1C(=O)O 1600609741 JDSGJMQBXBGEKG-GMTAPVOTSA-N 322.386 0.914 0 50 DCAA N[C@]12CCC[C@@H]1CN(C(=O)c1coc3c1C(=O)NCCC3)C2 1615554480 SNHYWEPALNGSRB-HWPZZCPQSA-N 303.362 0.909 0 50 DCAA CC(=O)N1CCO[C@@H](CNc2nc(C)c(C)cc2C(N)=O)C1 1704336300 FQCKWLSBGPFGBA-LBPRGKRZSA-N 306.366 0.457 0 50 DCAA Cc1ccc(S(=O)(=O)N2Cc3n[nH]cc3[C@H]2C(N)=O)c(C)c1 1775999200 RJLRHLCUUZIUJP-ZDUSSCGKSA-N 320.374 0.757 0 50 DCAA Cc1n[nH]c(C)c1CCCNC(=O)[C@@H]1CCc2ncnn2C1 1857707998 DXMFQXACDQOJCY-GFCCVEGCSA-N 302.382 0.929 0 50 DCAA Cc1cc(CN=c2[nH]nc(C(N)=O)s2)cc(N2CCCC2)n1 1875294397 GZJDLBVLFFBAKL-UHFFFAOYSA-N 318.406 0.975 0 50 DCAA COC(=O)/C=C/CNC(=O)c1cnn(Cc2noc(C)n2)c1 1875333229 JSYRZTVCTCZKIB-ONEGZZNKSA-N 305.294 0.082 0 50 DCAA CC(C)(C)OC(=O)Nc1cccc(CN2C[C@H](O)[C@H](O)C2)n1 2325800942 NWDRWYGPLWKCEO-TXEJJXNPSA-N 309.366 0.966 0 50 DCAA S=C(NC[C@H]1CCCO1)N1CCN(c2ncccn2)CC1 621628 IZJHFIRKLPLDAY-GFCCVEGCSA-N 307.423 0.652 0 50 DCAA Cc1ccc(NC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1 13323705 WTWOXGXYFAQTLL-UHFFFAOYSA-N 311.407 0.511 0 50 DCAA COC(=O)c1ccc(CS(=O)(=O)N2CCN(C)CC2)cc1 20491614 MQHDIGIFFQPADF-UHFFFAOYSA-N 312.391 0.550 0 50 DCAA CCCOc1ccc(S(=O)(=O)N(CCO)CCO)cc1 40764520 NGFYPAXLSPIKNV-UHFFFAOYSA-N 303.380 0.451 0 50 DCAA CCc1cc(N2CC[C@@H](NC(C)=O)C2)nc(N2CCOCC2)n1 65387558 VLXMHFNNAMFNJE-CQSZACIVSA-N 319.409 0.590 0 50 DCAA Cc1nc(N[C@H]2CN(C(C)C)C[C@@H]2O)c2c(C)nn(C)c2n1 72469746 IDWXQYZIEPWMNJ-RYUDHWBXSA-N 304.398 0.846 0 50 DCAA COCCN(Cc1cccnc1)C(=O)N[C@@H](C)C(=O)N(C)C 76074164 VAACWRUODQFPEM-LBPRGKRZSA-N 308.382 0.716 0 50 DCAA CC(C)c1nccn1[C@H](C)C(=O)NCCSc1nnnn1C 95354664 GMMXCEUETWVIMG-SNVBAGLBSA-N 323.426 1.000 0 50 DCAA Cc1cccnc1C[C@H](C)NC(=O)c1cc(=O)n(C)c(=O)n1C 95499309 VXNBPNTUVCTHDU-NSHDSACASA-N 316.361 0.148 0 50 DCAA COc1ccc(Cn2ncnc2CN2CCNC(=O)C2)cc1 97610282 HEROSVDGEJZWRN-UHFFFAOYSA-N 301.350 0.267 0 50 DCAA O=S(=O)(NCC1(CO)CCOCC1)N1CCCCCC1 129403744 ZVXREIFLEISTFF-UHFFFAOYSA-N 306.428 0.486 0 50 DCAA O=C(O)c1ncsc1S(=O)(=O)NC[C@H]1CCCC[C@H]1O 134716918 OWNUINLIWACQSN-HTQZYQBOSA-N 320.392 0.671 0 50 DCAA O=C(CN1CCC[C@H](c2nncn2C2CC2)C1)N1CCOCC1 152413192 MJNALVHYAZBYMI-ZDUSSCGKSA-N 319.409 0.651 0 50 DCAA Cc1cc(C(=O)N2C[C@H](C)N[C@@H](C)C2)ccc1S(N)(=O)=O 153965914 FZVIJSIJFOLVLY-QWRGUYRKSA-N 311.407 0.465 0 50 DCAA CNC[C@H]1CCCN(C(=O)Cn2c(=O)[nH]c3ccccc32)C1 159086780 WZLBDVVTJOKUGR-GFCCVEGCSA-N 302.378 0.788 0 50 DCAA NC(=O)c1cc(C(=O)NC[C@H]2CCCN2)nn1-c1ccccc1 178750914 GDTUZTBIURLLJN-LLVKDONJSA-N 313.361 0.453 0 50 DCAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)N[C@H]1CC[C@H](N)C1 211373988 BKYFRSHJQRNTBZ-STQMWFEESA-N 318.425 0.146 0 50 DCAA Cn1nnnc1SCCNC(=O)CSc1ccncc1 219316370 CDHDLDHUTSDLKG-UHFFFAOYSA-N 310.408 0.606 0 50 DCAA CN(CC(=O)NC[C@H]1CN(C)CCN1C)Cc1ccccc1F 219566812 BMVXFLLDLSQANM-HNNXBMFYSA-N 322.428 0.620 0 50 DCAA O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)[C@@H]1CC(=O)N(CC2CC2)C1 225357904 LTRQIRMFBYLGAU-CPUCHLNUSA-N 322.405 0.699 0 50 DCAA O=C(NCCN1CCOCC1)Nc1ccc(N2CCC2=O)cc1 225634364 ZTXVKOOHPZKBQO-UHFFFAOYSA-N 318.377 0.877 0 50 DCAA COc1cccc(CC(=O)N2CCN([C@H](C)C(=O)O)CC2)c1 237372221 RSMHSBCMTBMIFT-GFCCVEGCSA-N 306.362 0.855 0 50 DCAA C[C@@H](C(=O)NCC(=O)O)N1CCN(c2ccc(F)cc2)CC1 237509383 QQYMAJNUUWVTIC-NSHDSACASA-N 309.341 0.537 0 50 DCAA Cc1nc2cc(CC(=O)N3CC[C@](C)(O)[C@H](O)C3)ccc2[nH]1 248057748 USLLYFHFWGNLFO-ZBFHGGJFSA-N 303.362 0.758 0 50 DCAA NC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1C(=O)O)c1cccs1 262194639 ZDKLOJWPMLHUDO-DTWKUNHWSA-N 311.363 0.923 0 50 DCAA CCc1nsc(N2CCN(c3cncc4ncnn34)CC2)n1 272901029 ZWKNIMQCHSGOPX-UHFFFAOYSA-N 316.394 0.865 0 50 DCAA CCn1ccnc1C(=O)N1CCN(c2ccnc(C)n2)CC1 279345220 ISOQRCAGDMDYPP-UHFFFAOYSA-N 300.366 0.964 0 50 DCAA CC(=O)N1CCCC[C@@H]1C(=O)NCCn1c(C)cc(C)nc1=O 299793716 HVUNMZQNUGNZIF-CQSZACIVSA-N 320.393 0.377 0 50 DCAA Cc1c(N)ncn(CC(=O)N2CCc3sccc3C2)c1=O 332598192 IIWYFWBTMVIBMK-UHFFFAOYSA-N 304.375 0.780 0 50 DCAA CN(C)c1ccc(S(=O)(=O)N2CC[C@H](CC(N)=O)C2)cn1 367949827 AUBZYNAGLJRQLV-SNVBAGLBSA-N 312.395 0.034 0 50 DCAA CC[C@]1(C(N)=O)CCCN(C(=O)c2cn(C)c(C)cc2=O)C1 426415228 AOMQFQCARJFCBJ-INIZCTEOSA-N 305.378 0.811 0 50 DCAA Cc1nncn1CCN1CCC[C@H](c2ccn(CCO)n2)C1 426541255 JKOVQJDDULXKDR-AWEZNQCLSA-N 304.398 0.655 0 50 DCAA Cc1cc(N2CCN(C(=O)C[C@@H]3CCOC3)CC2)nc(N)n1 426563042 ASRODKOLKSFOTK-LBPRGKRZSA-N 305.382 0.442 0 50 DCAA CN1CCCC[C@H]1CNC(=O)N1CCN(c2nc[nH]n2)CC1 426640349 FIVKRURJFFGCDJ-LBPRGKRZSA-N 307.402 0.121 0 50 DCAA CCOc1cc(N2CCC[C@](O)(CC(=O)N(C)C)C2)ncn1 643719002 OIGLQKMAEGGTPH-HNNXBMFYSA-N 308.382 0.685 0 50 DCAA Cc1cc(C)n2c(C(=O)N[C@@H]3CC=CC[C@H]3C(N)=O)nnc2n1 670451834 WJEKYYURBWJBCV-GHMZBOCLSA-N 314.349 0.291 0 50 DCAA Cc1nocc1CNC[C@@H]1OCCN(C)[C@H]1c1ccnn1C 886074629 IRSMBONTNHIPQV-GJZGRUSLSA-N 305.382 0.878 0 50 DCAA COc1nccc(C(=O)NCC(C)(C)N2CCN(C)CC2)n1 932690518 KHLPHTCKPLQRIZ-UHFFFAOYSA-N 307.398 0.241 0 50 DCAA CCN1CCN([C@@H]2CCN(C(=O)c3cnn(CC)n3)C2)CC1 952845281 UICNGLHOEPTZDK-CYBMUJFWSA-N 306.414 0.150 0 50 DCAA CNC(=O)[C@@]12CCOC[C@H]1CN(c1nc(C)cc(OC)n1)C2 952852363 BPRIOHIAHWCXHE-IAQYHMDHSA-N 306.366 0.383 0 50 DCAA CC1(C)CN(C(=O)Cn2cnc(C(N)=O)n2)[C@@H]1c1ccccc1 952886976 HHNWUICGEULFCS-CYBMUJFWSA-N 313.361 0.987 0 50 DCAA Cc1nccn1CC(=O)N1CCN2[C@H](COC[C@H]2C2CC2)C1 1616073442 NUHWALSJLFLLJH-GJZGRUSLSA-N 304.394 0.513 0 50 DCAA Cn1nnc(CNC2CC(S(=O)(=O)c3ccccc3)C2)n1 1647475300 LPHBOEGKROYUFZ-UHFFFAOYSA-N 307.379 0.305 0 50 DCAA Cc1cccc(C(=O)N2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)n1 1704342652 AYNMKFUOBUKJEU-JKSUJKDBSA-N 320.389 0.897 0 50 DCAA Cc1ccc2c(C(=O)N3CCC(S(N)(=O)=O)CC3)cnn2c1 1772707569 WAJWJVRAXXSHBM-UHFFFAOYSA-N 322.390 0.536 0 50 DCAA O=C(c1ccccc1-c1nn[nH]n1)N1CCC([C@@H](O)CO)CC1 1772813183 VADKBLRZIIIWRT-ZDUSSCGKSA-N 317.349 0.072 0 50 DCAA COCC(=O)N1CC[C@@]23O[C@H](c4ccccc4)CN2C(=O)C[C@@H]13 1857668362 OWGUSYXYBMDWDQ-VBQJREDUSA-N 316.357 0.934 0 50 DCAA CCCCn1nc(CC(N)=O)nc1[C@H]1CCn2ncnc2C1 1857678897 CHUNKEZCEYDHTO-JTQLQIEISA-N 303.370 0.428 0 50 DCAA Cc1ccc(C(=O)N2CC3(CN(C)C3)C2)cc1N1CCNC1=O 1857698442 RRCDDKBVMUWXFE-UHFFFAOYSA-N 314.389 0.912 0 50 DCAA CC(C)n1cnnc1CN1CCC2(CC1)CNC(=O)CCO2 1857733659 SVVKSBHLLJOSGG-UHFFFAOYSA-N 307.398 0.730 0 50 DCAA CNC(=O)[C@H]1C[C@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2 1875319063 PLIJUKQQJCHGEE-XOJFTNBJSA-N 306.406 0.911 0 50 DCAA Cn1cc([C@@]23CC[C@H]2CCN3S(=O)(=O)c2nc[nH]n2)cn1 1875396345 CHFVRZCIVHTSDH-JOYOIKCWSA-N 308.367 0.238 0 50 DCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(N4CCCC4=O)C3)n[nH]c21 1875396350 CMVCLHOHEDJWKA-ZJUUUORDSA-N 318.377 0.879 0 50 DCAA Cc1cc2c(C)nc(NC(=O)CN3CC(=O)NC3=O)nc2o1 2100547152 BZLCMOKCBHOBEO-UHFFFAOYSA-N 303.278 0.330 0 50 DCAA O=C(N1CC2(CC=CCO2)C1)C1(c2nn[nH]n2)CC2(CC2)C1 2325806979 RSKSOTPSOMMUHC-UHFFFAOYSA-N 301.350 0.569 0 50 DCAA COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1nc(=O)n(C)[nH]1 2356149964 FYGGXLSMRALITF-LBPRGKRZSA-N 302.334 0.924 0 50 DCAA Cc1cc(C)nc(SCC(=O)N2CCC(C(N)=O)CC2)n1 203294 QVYGWPZCXIWWDM-UHFFFAOYSA-N 308.407 0.909 0 50 DCAA CCN(CC)CCNC(=O)C(=O)Nc1ccc(C(=O)OC)cc1 2278658 OYWLTGBVNNFOOS-UHFFFAOYSA-N 321.377 0.870 0 50 DCAA O=C(CCNS(=O)(=O)c1ccc(F)cc1)N1CCOCC1 9342530 LESBQIWTFAIEOY-UHFFFAOYSA-N 316.354 0.353 0 50 DCAA NC(=O)C1CCN(CC(=O)NC2Cc3ccccc3C2)CC1 10494361 DSTGWCGWDWDJHN-UHFFFAOYSA-N 301.390 0.467 0 50 DCAA CC1(C)[C@@H](C(=O)N2CCN(c3ncccn3)CC2)[C@H]1C(=O)O 34926337 RTOGGNKEKCMWCV-MNOVXSKESA-N 304.350 0.482 0 50 DCAA CCn1c([C@@H]2CCCNC2)nn(CCC(=O)N2CCCC2)c1=O 71278633 NQECRLANIXBZQY-CYBMUJFWSA-N 321.425 0.544 0 50 DCAA COCCOC1CCN(c2ncnc3c2CCNCC3)CC1 72454101 XYDWSORIMVKPJB-UHFFFAOYSA-N 306.410 0.797 0 50 DCAA Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCn2cccn2)on1 96180465 CZLZXCKLAWZJFR-OCCSQVGLSA-N 304.350 0.944 0 50 DCAA CN(C)C[C@@H]1COCCN(Cc2cnn(CCC(=O)O)c2)C1 97819497 CHDYAYAVYWGKAK-AWEZNQCLSA-N 310.398 0.368 0 50 DCAA CON(CCO)C(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 170602727 UQKGDHANNSYXEE-LLVKDONJSA-N 312.391 0.983 0 50 DCAA CCO[C@H]1CN(C(=O)c2ccc(-c3nnn(C)n3)cc2)C[C@@H]1O 220348884 GVIAETSGHPZMSF-STQMWFEESA-N 317.349 0.099 0 50 DCAA O=C(CCn1cnnn1)NCc1ccc(CN2CCCC2)cc1 221162021 ABGLPZKGQOCASD-UHFFFAOYSA-N 314.393 0.975 0 50 DCAA COCc1noc(CNC(=O)Cc2ccc3c(c2)OCO3)n1 222948717 LNPZGIIXTOGKNE-UHFFFAOYSA-N 305.290 0.804 0 50 DCAA O=C1COCCN1CC(=O)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 225682104 VIVXXKGRNWGQCO-ZIAGYGMSSA-N 322.336 0.319 0 50 DCAA CNC(=O)[C@H](C)CN(C)C(=O)Nc1cccnc1C(=O)OC 225738605 CPRBPLTWYLXITD-SECBINFHSA-N 308.338 0.714 0 50 DCAA Cc1c([C@H](C)NC(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cnn1C 239433152 XHINMAUTMQRPTC-HONSUDCCSA-N 307.350 0.784 0 50 DCAA CC(C)Cn1cnc(S(=O)(=O)N2CC[C@H](n3cncn3)C2)c1 240333301 FCVUXEGZNFQAHX-LBPRGKRZSA-N 324.410 0.766 0 50 DCAA O=C(N[C@H]1CCCN(Cc2cccnc2)C1)c1cnc(O)cn1 252509802 YVZXAXYYIJRGKZ-ZDUSSCGKSA-N 313.361 0.972 0 50 DCAA C[C@H]1CN(C(=O)CN2CCOCC2=O)C[C@@H](c2ccsc2)O1 253432337 ZLAFTULWNNHREI-AAEUAGOBSA-N 324.402 0.895 0 50 DCAA CCc1nc(CN2CCN(C(=O)CCn3ccnc3)CC2)no1 264820578 XPCRYWXRCPLIEK-UHFFFAOYSA-N 318.381 0.563 0 50 DCAA Cn1ccnc(N2CCC[C@@H](NC(=O)C3=COCCC3)C2)c1=O 275622651 JHLIKYBEZYMCBG-CYBMUJFWSA-N 318.377 0.560 0 50 DCAA CCc1occc1C(=O)N1CCO[C@H](CN(C)CC(N)=O)C1 280671447 GFVSMKXHJCTWIU-LLVKDONJSA-N 309.366 0.100 0 50 DCAA Cn1cnc2c(C(=O)N3CCO[C@]4(CCCOC4)C3)ccnc21 289455985 VVFUWCLKRCKGAJ-MRXNPFEDSA-N 316.361 0.990 0 50 DCAA NC(=O)c1[nH]nnc1NC(=O)[C@@H]1CCCN(CC(F)(F)F)C1 291472325 PIYKVSRDLLVTQO-ZCFIWIBFSA-N 320.275 0.116 0 50 DCAA CCOc1cncc(N2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1 299742956 LADWFWWOGPDQGH-NEPJUHHUSA-N 324.356 0.651 0 50 DCAA CCCc1noc(CN2CCC[C@](O)(Cn3ccnn3)C2)n1 331378803 HZSGCHWOFCVFFM-CQSZACIVSA-N 306.370 0.641 0 50 DCAA O=C(NCCn1c(O)nc2ccccc21)NC[C@H]1CCNC1 417833929 JRPVDXBOEUVESZ-NSHDSACASA-N 303.366 0.651 0 50 DCAA CN1C(=O)COc2ccc(C(=O)NCc3cc(O)ncn3)cc21 426488542 VEBBRYWTXVCUDF-UHFFFAOYSA-N 314.301 0.467 0 50 DCAA CN(CC1CC1)C[C@H]1CN(C(=O)NC[C@H]2CCCO2)CCO1 583623265 RURULOMSABCTRM-CABCVRRESA-N 311.426 0.918 0 50 DCAA CC(C)(C)OC(=O)N1[C@@H](CN2CCNC(=O)C2)COC1(C)C 585086128 HIEHEAATZZRNPV-NSHDSACASA-N 313.398 0.790 0 50 DCAA CCCN(CCCN(C)C)C(=O)C(=O)N1CC[C@@H]2CCN[C@@H]2C1 643543707 OJTVCLSOZJXLPW-LSDHHAIUSA-N 324.469 0.387 0 50 DCAA C[C@@H](CCn1cccn1)N1CCC2(CC1)CN(C)C(=O)CO2 670451715 LNMJESNCCYNKDL-AWEZNQCLSA-N 306.410 0.985 0 50 DCAA C[C@@H](Cn1cncn1)C(=O)NCc1nc(O)c2ccccc2n1 827628044 MNSJNEDITFTYHM-JTQLQIEISA-N 312.333 0.879 0 50 DCAA O=C(CN1CCCC[C@H](O)C1=O)NCc1ccc(CCO)cc1 890639472 MJFRUNUKKTVBJV-HNNXBMFYSA-N 320.389 0.211 0 50 DCAA O=C(Nc1nncs1)N1CCCS(=O)(=O)C[C@@H]1C1CC1 929096803 ISBRBNMXQRYFFM-SECBINFHSA-N 316.408 0.969 0 50 DCAA CC(=O)N1CCO[C@@H](C(=O)NCc2cn3c(n2)CCCC3)C1 931622771 OFXGSAZPOHALOT-CYBMUJFWSA-N 306.366 0.083 0 50 DCAA Cc1ccc([C@H](CNC(=O)[C@@H]2CCS2(=O)=O)N(C)C)cc1 1615585535 CGZFIAAZBKLKFY-KBPBESRZSA-N 310.419 0.901 0 50 DCAA O=C1CC(C(=O)NCC2=Nc3ccccc3S(=O)(=O)N2)C1 1615586179 KEGGKJOKXXSSDH-UHFFFAOYSA-N 307.331 0.104 0 50 DCAA O=C(c1ccn2nccc2c1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857711025 XOQNFHQDUCHZGF-CJNGLKHVSA-N 312.329 0.508 0 50 DCAA O=C(NCCc1nccc(C2CC2)n1)c1cc(O)cc(=O)o1 2325821268 AESGDDZVGCHSHM-UHFFFAOYSA-N 301.302 0.985 0 50 DCAA Cc1ccc2nc(NC3=N[C@H](CC(=O)O)C(=O)N3)nc(C)c2c1 198997 OHBOLJGIJSNQJX-LLVKDONJSA-N 313.317 0.988 0 50 DCAA biogenic COc1cc2[nH]c(=O)n(C[C@@H]3CCCO3)c(=O)c2cc1OC 2467889 JFVALTCBEXDZPN-VIFPVBQESA-N 306.318 0.886 0 50 DCAA biogenic COC[C@@]12COC[C@@H]1CN(c1ccc(S(C)(=O)=O)cn1)C2 2356161233 LNTSKZMTFOXWMB-FZMZJTMJSA-N 312.391 0.584 0 50 DCAA O=C(Nc1cnc2sccn2c1=O)[C@H]1CCn2ncnc2C1 2356166566 DDPBBHZJXXXAQB-QMMMGPOBSA-N 316.346 0.549 0 50 DCAA C[C@@H]1Cc2cc(C(=O)N3CCOCC3)ccc2N1S(C)(=O)=O 10324426 IQKLGNLAHFCAHX-LLVKDONJSA-N 324.402 0.870 0 50 DCAA C[C@@H](NC(=O)CN1CCO[C@@H](Cn2cncn2)C1)c1ccco1 229498534 KREHONZJQAAKGR-CHWSQXEVSA-N 319.365 0.449 0 50 DCAA CN(C(=O)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1)[C@H]1CCS(=O)(=O)C1 328889516 QXDIEFSQNFLMCU-KIJLLGNVSA-N 314.407 0.335 0 50 DCAA C1CCN(c2nc3nonc3nc2NC[C@H]2COCCO2)CC1 12075962 CRRNJFDFNYYUTI-JTQLQIEISA-N 320.353 0.830 0 50 DCAA COCCN1CC2=C(C1=O)[C@H](c1cccc(F)c1)NC(=O)N2 4776257 IKDJZNIIOUYDSB-ZDUSSCGKSA-N 305.309 0.922 0 50 DCAA Cn1nccc1S(=O)(=O)N1CCc2ccc(CC(=O)O)cc21 451104793 AOHAULKILLEHFH-UHFFFAOYSA-N 321.358 0.799 0 50 DCAA NC[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 131135763 OXXYDJAIDZAZFL-ZJUUUORDSA-N 307.316 0.737 0 50 DCAA CCc1nc(C)cc(N2CCC[C@@](O)(Cn3ccnn3)C2)n1 284791504 RLWXLUOPDJPYAT-HNNXBMFYSA-N 302.382 0.970 0 50 DCAA CNC(=O)c1cccc(C(=O)N[C@H]2CCC(=O)NC2(C)C)c1 338510497 GTYIJLVUDONIJV-LBPRGKRZSA-N 303.362 0.833 0 50 DCAA COc1ccnc(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 285503826 FNFFUZLGVGFGRA-AWEZNQCLSA-N 313.423 0.946 0 50 DCAA CN(C(=O)c1cn(Cc2cccc(F)c2)nn1)[C@H]1CCNC1 179075700 IBGALKHEUVBBHK-ZDUSSCGKSA-N 303.341 0.899 0 50 DCAA CN(C[C@@H]1COCCO1)C(=O)Cc1cccc(OCCN)c1 426441910 NMCWOLDLGREOSA-OAHLLOKOSA-N 308.378 0.440 0 50 DCAA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1cc(O)no1 223688981 OSLIXLITVJDAJC-DGCLKSJQSA-N 319.317 0.879 0 50 DCAA O=C(c1cccnc1)N1C[C@@H]2CC[C@H](C1)N(CCOCCO)C2 91872372 VSOVWDURFMHNKN-GDBMZVCRSA-N 319.405 0.627 0 50 DCAA Cn1cc(NC(=O)NC[C@@H]2CC(=O)N(c3ccccc3)C2)nn1 96151658 GGGXCYBXIXSYKO-NSHDSACASA-N 314.349 0.990 0 50 DCAA Nc1nc(CCC(=O)NCCNC(=O)c2cccnc2)cs1 97294859 BTTLZBRZFYGSSE-UHFFFAOYSA-N 319.390 0.599 0 50 DCAA Cc1ccc(NCCCNC(=O)CN2C(=O)CN(C)C2=O)nc1 267208088 OCRDCBMXCVGUKQ-UHFFFAOYSA-N 319.365 0.202 0 50 DCAA O=S(=O)(N[C@@H]1CCCn2ncnc21)c1cccc2nonc12 268783798 JHXWZYAVMSAADJ-SECBINFHSA-N 320.334 0.628 0 50 DCAA CN(C)CCN1C(=O)CC[C@H]1CCNC(=O)c1cscn1 299799296 QNBTYWTVZPKTOK-NSHDSACASA-N 310.423 0.816 0 50 DCAA C[C@@]1(C(=O)O)CCN(C(=O)c2ccc(-n3cnnn3)cc2)C1 268931163 AAZHLGCMBFXKMT-CQSZACIVSA-N 301.306 0.599 0 50 DCAA Cc1noc(CN2CCC(CNC(=O)c3cncn3C)CC2)n1 825300478 LBNUKERHPUVDET-UHFFFAOYSA-N 318.381 0.754 0 50 DCAA CCN1CCC[C@H]1C(=O)NCC1(CN2CCN(C)CC2)CC1 823112191 PEMUXUQAVXCOKC-HNNXBMFYSA-N 308.470 0.615 0 50 DCAA CCN(C)S(=O)(=O)NCc1cc(O)nc(C2CCC2)n1 585137238 NPTHVYKQNIEDRC-UHFFFAOYSA-N 300.384 0.736 0 50 DCAA CCCN1C(=O)N[C@@H](CC(=O)N2CCCN(CC)CC2)C1=O 584902487 XSQNJTZLSIEJGN-LBPRGKRZSA-N 310.398 0.261 0 50 DCAA COC(=O)N[C@H](C)C(=O)N1CCC(O)(CN2CCCC2)CC1 670451718 NRJHDHBPXPIFFD-GFCCVEGCSA-N 313.398 0.180 0 50 DCAA Cc1nc(C)c(C)c(N2CCO[C@H](CN3CCOCC3)C2)n1 1875287206 YMJLRBBKIGKDHU-OAHLLOKOSA-N 306.410 0.939 0 50 DCAA Cn1c(=N[C@@H]2C[C@H](Cn3cccn3)C[C@H]2O)[nH]c2cnccc21 1875399003 LGKHBAUVDFMMRH-YWPYICTPSA-N 312.377 0.838 0 50 DCAA Cc1ccoc1Cn1nnnc1N1C[C@@H]2CCC[C@]2(C(N)=O)C1 952880148 CKGFQVVPNHFOHX-NHYWBVRUSA-N 316.365 0.715 0 50 DCAA Cn1cncc1C(=O)NC[C@H]1CCCN(c2cnccn2)C1 952978714 ZHLMNWNPHYZTOT-GFCCVEGCSA-N 300.366 0.857 0 50 DCAA CC(=O)N1CCO[C@H]2CCN(c3ccnc(C(N)=O)c3)C[C@@H]21 886034104 OSMYSTSOBVVJIJ-KBPBESRZSA-N 304.350 0.007 0 50 DCAA NC(=O)c1cccc2c1CCN(C(=O)N[C@@H]1CC[S@@](=O)C1)C2 888101596 HCMHLCXEZGHMJQ-RKFFSXRUSA-N 321.402 0.374 0 50 DCAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)c1ccccc1-c1nn[nH]n1 1565530460 JHGZCILNFURVKE-RYUDHWBXSA-N 312.333 0.417 0 50 DCAA CN(CC(N)=O)C[C@H]1CN(Cc2ccc3c(c2)CCC3)CCO1 275856508 XENMNHGBQMUGIW-KRWDZBQOSA-N 317.433 0.793 0 50 DCAA CCN1C[C@H](C(=O)N2CCN(C)[C@@H](c3nccn3C)C2)CC1=O 276603774 IUFBLUGAAIYSOR-CHWSQXEVSA-N 319.409 0.104 0 50 DCAA Cc1nonc1CNC(=O)[C@H]1CC(=O)N(c2nccs2)C1 1177333752 MTWPDFIKWGPNLL-QMMMGPOBSA-N 307.335 0.504 0 50 DCAA Cc1ccccc1C1(C(=O)N2CCC[C@](O)(C(N)=O)C2)CC1 583620913 BTVFDQNMAWIPHS-QGZVFWFLSA-N 302.374 0.865 0 50 DCAA Cn1c(C(=O)NCc2cccc(C(=O)NC3CC3)c2)cnc1O 585089384 JCOFOFVSTZVGKP-UHFFFAOYSA-N 314.345 0.948 0 50 DCAA CCc1nnc(C)cc1C(=O)N1CCC[C@]1(COC)C(=O)NC 643948152 KWYVUWPBPOPUHK-INIZCTEOSA-N 320.393 0.715 0 50 DCAA Cc1nn(C)c(C)c1S(=O)(=O)N1CCOC[C@@]12CCOC2 195481390 CJNHJDUOOLCJMQ-ZDUSSCGKSA-N 315.395 0.217 0 50 DCAA CN(C)S(=O)(=O)CCN[C@@H]1CCN(Cc2ccccc2)C1 67643739 RGDCSKACTTYABN-OAHLLOKOSA-N 311.451 0.742 0 50 DCAA O=C(NC1CC1)[C@@H](c1ccccc1)N1CC(N2CCNC2=O)C1 660687261 VMTLBRXOCCJKAY-OAHLLOKOSA-N 314.389 0.716 0 50 DCAA COC(=O)C(C)(C)NC(=O)[C@]12CNC[C@H]1CN(C1CCCC1)C2 209813831 ZCFGEJAEEMZCGB-SJCJKPOMSA-N 323.437 0.518 0 50 DCAA OCC(CO)N1C[C@@H](O)[C@H](Cc2ccc3ccccc3n2)C1 1704354067 YHIXDJHHYXBKPL-CXAGYDPISA-N 302.374 0.423 0 50 DCAA NS(=O)(=O)c1ccc(NC(=O)C23CC(C(=O)O)(C2)C3)cc1 1601199108 XQLRLXBRKMFCES-UHFFFAOYSA-N 310.331 0.527 0 50 DCAA CC1(C(=O)N2CCC(N3CCCS3(=O)=O)CC2)COC1 1615590410 MFUXDWZBAPMRSN-UHFFFAOYSA-N 302.396 0.049 0 50 DCAA O=C(C1CCC1)N1CCC(N2C[C@@H]3CNC[C@]3(CO)C2)CC1 1772711339 HNOOSOPZFXCPLY-WMLDXEAASA-N 307.438 0.291 0 50 DCAA COc1ccccc1CN1CCN2C(=O)[C@H](C)NC(=O)[C@H]2C1 14748532 TWQOIFHXRIRUOQ-WCQYABFASA-N 303.362 0.226 0 50 DCAA N[C@@H]1C[C@H](C(=O)NCc2ccc(-n3cccn3)cc2)C[C@H]1O 1857725409 VNQHZMFEPOYZAH-NWANDNLSSA-N 300.362 0.587 0 50 DCAA C[C@@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O)S(C)(=O)=O 135176795 OJXRRDTVTDXRMX-JOYOIKCWSA-N 311.359 0.458 0 50 DCAA Nc1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2c1 1673030 KZCSUEYBKAPKNH-UHFFFAOYSA-N 303.317 0.915 0 50 DCAA in-vitro C[C@@H](Cn1cncn1)NC(=O)N1CCC[C@H](c2ncc[nH]2)C1 263937724 FVVXAFKELHAUNK-RYUDHWBXSA-N 303.370 0.979 0 50 DCAA CC[C@H]1C(=O)NCCN1C(=O)CN1C(=O)c2ccccc2C1=O 264551779 WDFAQHDFHCHHDV-LBPRGKRZSA-N 315.329 0.020 0 50 DCAA O=S(=O)(NCCc1cnoc1)c1cnn([C@@H]2CCOC2)c1 907383734 GICGZOQQDHHBCM-LLVKDONJSA-N 312.351 0.354 0 50 DCAA C=CC(=O)N(CC)CC(=O)N1CCN(CC(C)(C)O)C[C@H]1C 907589178 SISCMSKLWPCOAU-CYBMUJFWSA-N 311.426 0.325 0 50 DCAA Cc1[nH]ncc1S(=O)(=O)N1CC[C@H](C(=O)O)C(F)(F)C1 289687321 LQHNZDTWCLJIKX-SSDOTTSWSA-N 309.294 0.449 0 50 DCAA Cn1ccnc1C[C@H](N)C(=O)N=c1[nH][nH]c2c(Cl)cccc12 2325857431 BATYUBJTOVENFY-JTQLQIEISA-N 318.768 0.880 0 50 DCAA CCC(=O)N1CCc2cc(S(=O)(=O)NCC(=O)O)ccc21 2928295 QIFWGMGTHOHGKO-UHFFFAOYSA-N 312.347 0.349 0 50 DCAA COc1cccc(NC(=O)CSc2nnc3n(N)cnn23)c1 4742811 NJEYZVRLCIUVGX-UHFFFAOYSA-N 319.350 0.379 0 50 DCAA Cc1ccc(C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)O)o1 5547653 VJKGDEVIJQIDSB-KBVBSXBZSA-N 324.358 0.833 0 50 DCAA COc1cccc(N2C[C@H](C(=O)N3CCOCC3)CC2=O)c1 8247510 MKFJDPAEEZDHLX-GFCCVEGCSA-N 304.346 0.907 0 50 DCAA CCn1cnnc1CCNc1nccc(N2CCC[C@@H](O)C2)n1 65386276 RZKCSJXSZCOMIF-GFCCVEGCSA-N 317.397 0.704 0 50 DCAA Cc1nn(CCNC(=O)C[C@@H]2COCCN2)c(C)c1Cl 72164649 VBEULHBJICBKEP-LLVKDONJSA-N 300.790 0.648 0 50 DCAA CC(C)(C)OC(=O)N1CC2(C1)[C@H](C(=O)O)CCS2(=O)=O 72267137 DCZLIUMJKVXWOR-QMMMGPOBSA-N 305.352 0.495 0 50 DCAA in-vitro O=C1NC[C@@H](C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)N1 72411414 JHHRFFZWZVLSOH-AWEZNQCLSA-N 320.368 0.541 0 50 DCAA O=C(NCCc1nc2c(s1)CCC2)[C@H]1NCCc2[nH]cnc21 72477312 JPJNJGUOXDXJSO-AWEZNQCLSA-N 317.418 0.901 0 50 DCAA O=C(CCn1nnc2ccccc21)N1CCOC[C@H](CO)C1 77300081 KCIRIDZDWAVWQO-LBPRGKRZSA-N 304.350 0.289 0 50 DCAA O=C(NCCc1cnccn1)[C@@H]1CC(=O)N(C2CCCC2)C1 91440245 DRVRRBDQTQHMAT-GFCCVEGCSA-N 302.378 0.926 0 50 DCAA CCC[C@H]1CN(S(C)(=O)=O)C[C@@H]1NC(=O)c1cc(C)n[nH]1 91706651 XKRYVXPZICYPNG-JQWIXIFHSA-N 314.411 0.508 0 50 DCAA Cc1ncsc1CCN(C)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C 92080396 GWQWLCVBPGAKOK-JTQLQIEISA-N 324.406 0.735 0 50 DCAA NC(=O)CN1CCN(CCCc2ccccc2)[C@H](CCO)C1 106969523 ZSIGEHIYDORLGO-MRXNPFEDSA-N 305.422 0.473 0 50 DCAA CS(=O)(=O)[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H](N)C1 157925484 NVNFWRXKMCCJAV-ZIAGYGMSSA-N 310.419 0.592 0 50 DCAA Cc1cc(N)n(CC(=O)N2CCOc3ccc(CO)cc3C2)n1 215724733 WLDARHFHSNNDFX-UHFFFAOYSA-N 316.361 0.687 0 50 DCAA COCCCN1CCN(c2cc(C3CC(N)C3)nc(N)n2)CC1 219172887 KRPXNBJKEUDNKN-UHFFFAOYSA-N 320.441 0.422 0 50 DCAA O=C(O)[C@H]1CN(CCN2CCOCC2)C[C@@H]1c1ccccn1 222110867 IPFVDABKQXACLX-KBPBESRZSA-N 305.378 0.514 0 50 DCAA C[C@H]1CN(C)CCN1C(=O)[C@H]1CCCN(c2ncccn2)C1 241739076 QZTKECFGRSZEQT-KBPBESRZSA-N 303.410 0.856 0 50 DCAA CCOC(=O)c1cn(C[C@H](O)c2ccccc2)c(C(N)=O)n1 252500701 TUIKPWYMISKOMN-LBPRGKRZSA-N 303.318 0.892 0 50 DCAA CS(=O)(=O)N[C@H]1CCN(C(=O)c2ccc(C(=O)O)cc2)C1 262350747 YWWQJGHIOZTZJB-NSHDSACASA-N 312.347 0.149 0 50 DCAA Cc1cc(C)n(CC(=O)N2CCC[C@@](O)(Cn3ccnn3)C2)n1 284521913 FPGKZDYJXWNBJR-HNNXBMFYSA-N 318.381 0.145 0 50 DCAA OCc1ccc(CN2CCC[C@@](O)(Cn3ccnn3)C2)cc1 284563340 MJDGHJMJYMUWCE-INIZCTEOSA-N 302.378 0.798 0 50 DCAA CN1CCO[C@@H](CN(CC2CC2)C(=O)CCc2cnn(C)c2)C1 328625141 CUBXTOXSLCVTNJ-MRXNPFEDSA-N 320.437 0.922 0 50 DCAA C[C@]1(NCC(=O)O)CCN(C(=O)COc2ccc(F)cc2)C1 328625639 DJTLZVYWARKCDK-HNNXBMFYSA-N 310.325 0.870 0 50 DCAA CCN(Cc1nnc(C)o1)[C@H]1CN(C[C@@H]2CCCCO2)C[C@H]1O 328627825 GPABGMQVNNEWBR-SOUVJXGZSA-N 324.425 0.814 0 50 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CCc1cc(N2CCC[C@](O)(Cn3ccnn3)C2)nc(C)n1 284796682 RWSYGNDFLYHGDJ-OAHLLOKOSA-N 302.382 0.970 0 50 DCAA NC(=O)c1ccc(OCC(=O)N2CCC[C@@](F)(CO)C2)cc1 376498644 YKMRVROPWNEQCZ-HNNXBMFYSA-N 310.325 0.487 0 50 DCAA CCCn1cc(C(=O)N2CCC[C@](O)(Cn3ccnn3)C2)cn1 284822580 JRLBCSBGTRLVMR-OAHLLOKOSA-N 318.381 0.552 0 50 DCAA NS(=O)(=O)[C@H]1CCN(C(=O)c2cnc3ccccc3n2)C1 331964062 JYZBTLOZKPRGHF-VIFPVBQESA-N 306.347 0.133 0 50 DCAA N[C@@H]1CC[C@H](C(=O)NCCc2nc(-c3cccnc3)n[nH]2)C1 72424160 WZPPTCKXQMZGBX-CMPLNLGQSA-N 300.366 0.653 0 50 DCAA CO[C@@H](C)c1noc(Cn2cc(S(=O)(=O)N(C)C)cn2)n1 332726760 UFCDCSVTZLGEHF-QMMMGPOBSA-N 315.355 0.272 0 50 DCAA Cc1nonc1OCCNC(=O)c1cnc(C(C)(C)C)[nH]c1=O 82099233 JGGBLABYVPBIRC-UHFFFAOYSA-N 321.337 0.568 0 50 DCAA Cc1noc(C)c1CCCNC(=O)C[C@H]1C(=O)N(C)C(=O)N1C 91586402 BSIFNLKNVOEBQE-LBPRGKRZSA-N 322.365 0.623 0 50 DCAA O=C(N1CCCC1)N1CCN(c2noc(C3CC3)n2)C[C@@H](O)C1 97172915 WOKTVOVJCSNAOJ-GFCCVEGCSA-N 321.381 0.646 0 50 DCAA COCCn1nnc([C@@H]2CN(c3ncnc(C)c3C)CCO2)n1 95380935 DIDKSBMKCKUSOE-LBPRGKRZSA-N 319.369 0.304 0 50 DCAA Cc1nn(C)c(C)c1CN(CCO)[C@H](C)C(=O)N1CCCC1 244748565 OJRKADFEYHCGLM-CQSZACIVSA-N 308.426 0.842 0 50 DCAA CC[C@H](C)[C@H](CO)NC(=O)CCc1nc2nc(C)cc(O)n2n1 252549659 ROJOMCWCWQPYEJ-ONGXEEELSA-N 321.381 0.594 0 50 DCAA C[C@@H](CN(C)C(=O)c1csc(S(N)(=O)=O)c1)C(=O)O 262959984 KBBAJNMNMXLEMG-LURJTMIESA-N 306.365 0.188 0 50 DCAA O=S(=O)(NC[C@H](CO)Cc1ccco1)N1CCCCC1 533697484 QRAABZNZPFSVJE-GFCCVEGCSA-N 302.396 0.751 0 50 DCAA CC[C@@]1(O)CCCN(S(=O)(=O)N2CCC(OC)CC2)C1 632667678 ZGKMHDJTCVADDJ-CYBMUJFWSA-N 306.428 0.579 0 50 DCAA C[C@@H](CCC(=O)N(C)Cc1nncn1C)N1CCN(C)CC1 823789389 KJFKBYBVQIYCTR-ZDUSSCGKSA-N 308.430 0.190 0 50 DCAA COCCN1CCC[C@@H](c2nc(CC(N)=O)nn2C(C)(C)C)C1 824413123 DLINTVFFSCNHQG-GFCCVEGCSA-N 323.441 0.887 0 50 DCAA COC(=O)CS(=O)(=O)N1CCC(CN)(C(F)(F)F)CC1 725264718 MQZNWKOCNGJLBI-UHFFFAOYSA-N 318.317 0.092 0 50 DCAA CS(=O)(=O)NCCn1cc([C@@H](O)c2ccc(F)cc2)nn1 864652300 KMIAJBALBFJKRJ-LBPRGKRZSA-N 314.342 0.048 0 50 DCAA Cc1ccc(NC(=O)CCNC(=O)[C@H]2C[C@@H](O)CN2)c(C)c1 670447519 ATIZXZIGKMEMPR-TZMCWYRMSA-N 305.378 0.471 0 50 DCAA CC1=C(C(=O)N2CCC[C@H](CN3CCOCC3)C2)OCCO1 952963734 IGZCSWGPTVGMLK-CQSZACIVSA-N 310.394 0.836 0 50 DCAA Cc1ncc(CO)c(CNCCN2CCCC[C@@H]2CO)c1O 952962477 BSRURLXSKIEOLW-CQSZACIVSA-N 309.410 0.524 0 50 DCAA COc1cccc(CN2CCN([C@@]3(C(=O)O)CCOC3)CC2)n1 886071945 QXPZWZVLYIKWQN-INIZCTEOSA-N 321.377 0.452 0 50 DCAA CC[C@H](C)C(=O)NCC(=O)OCCn1nc2ccccn2c1=O 170652966 ZGIBNPIVTWRSPB-NSHDSACASA-N 320.349 0.202 0 50 DCAA CO[C@@H]1CCNC[C@@H]1NC(=O)c1nc(N)nc2c1CCCC2 1506401417 ZZNHKFJKQOXHSQ-NWDGAFQWSA-N 305.382 0.044 0 50 DCAA CS(=O)(=O)C1CN(S(=O)(=O)[C@H]2C[C@@H]2c2ccccc2)C1 1615205063 OFIPNPRVYQXBCA-OLZOCXBDSA-N 315.416 0.601 0 50 DCAA Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc3c(c2)OCO3)n1 18156144 RPWLQQHFWUYKBF-UHFFFAOYSA-N 320.330 0.812 0 50 DCAA CCNC(=O)N1[C@H]2CCCC[C@H]2NC(=O)[C@H]1CC(=O)OCC 169365491 SQEFPRNRXQHVOA-GRYCIOLGSA-N 311.382 0.781 0 50 DCAA CNC(=O)C[C@H]1CN(Cc2cc(O)nc3ccccc23)C[C@@H]1O 1857529076 OVWRWLJWNWMEBV-WFASDCNBSA-N 315.373 0.869 0 50 DCAA Cc1c(CNC(=O)N2CCCN(C(=O)C3CC3)CC2)cnn1C 133711615 QZLQTYLNZMHSSL-UHFFFAOYSA-N 319.409 0.882 0 50 DCAA Cc1noc(CCNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)n1 263701565 OYAMJEGFNUGGEL-GXTWGEPZSA-N 302.334 0.878 0 50 DCAA Cc1c(F)cc(S(=O)(=O)N2CC[C@H]2CO)cc1C(=O)O 907120868 KMIVNGCBBWFHGT-QMMMGPOBSA-N 303.311 0.588 0 50 DCAA Cn1ccc(NC(=O)CNC(=O)c2cc(C(F)F)n(C)n2)n1 935665224 AFOQVJXCBUHDCR-UHFFFAOYSA-N 312.280 0.460 0 50 DCAA COc1cccn2ncc(C(=O)N3CCOC[C@]34CCOC4)c12 935827260 ZCUBGKCIBCDMKU-MRXNPFEDSA-N 317.345 0.974 0 50 DCAA CO[C@H]1CCN(C(=O)N[C@@H](Cc2cccc(O)c2)C(=O)O)C1 2325780895 WUSYKTHWYUFKBW-STQMWFEESA-N 308.334 0.818 0 50 DCAA O=C(Cc1ncccc1F)N[C@@H]1C[C@H](Cn2ccnc2)C[C@H]1O 2325786239 XMSXKASZAWSWMY-NILFDRSVSA-N 318.352 0.916 0 50 DCAA O=C(NC[C@H]1C[C@@H]2C[C@H]1[C@@H](O)[C@H]2O)c1ccc2cc[nH]c2n1 2325797057 DKIOELRKEIDBEB-KLKTVBQGSA-N 301.346 0.671 0 50 DCAA Cc1ccn2ncc(C(=O)NC[C@H]3C[C@H](S(C)(=O)=O)C3)c2n1 2325810784 DVIJMUXGNYRMCT-XYPYZODXSA-N 322.390 0.591 0 50 DCAA C[C@H](Oc1ccccc1)C(=O)NC1CN(C(=O)C2(C)COC2)C1 2325829876 UZEJMUXBTPDILY-LBPRGKRZSA-N 318.373 0.817 0 50 DCAA NC(=O)c1cnn2c(C(=O)NCCC(F)(F)F)ccnc12 123678736 DHEUXJSCWYWFLF-UHFFFAOYSA-N 301.228 0.510 0 50 DCAA CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)O)cc1 31349 MLBDVSSNNTVKSP-LBPRGKRZSA-N 312.347 0.883 0 50 DCAA biogenic,in-vitro Cn1ccnc1C(=O)N1CCC[C@@]2(CCc3c[nH]c(=N)nc32)C1 2356159136 NLUACEZULAHPRQ-MRXNPFEDSA-N 312.377 0.743 0 50 DCAA CCOCCn1c(=O)c2c(nc3oc(C)c(C)n32)n(C)c1=O 9708636 WCXPQGPBHBCOQV-UHFFFAOYSA-N 306.322 0.594 0 50 DCAA CCCN(C(=O)CNC(=O)c1ncccc1O)[C@H]1CCNC1 422804431 KOHMTXWZVMGIJE-NSHDSACASA-N 306.366 0.118 0 50 DCAA CCN(C)C(=O)[C@@H](C)NC(=O)Cc1ccc2c(c1)OCCO2 252507637 WQIRMSPXVHQAOL-LLVKDONJSA-N 306.362 0.983 0 50 DCAA CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 2803766 YASYYSILFOKRQA-LLVKDONJSA-N 315.395 0.990 0 50 DCAA CCCn1cnnc1CNC(=O)c1cn(C[C@@H]2CCCO2)nn1 72165051 DQNXDZWIFQPVTI-NSHDSACASA-N 319.369 0.389 0 50 DCAA CNc1nc(C)cc(C(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)n1 330595855 UPYNJOWUFOVUSA-RYUDHWBXSA-N 307.398 0.618 0 50 DCAA NC(=O)NCC(=O)N[C@H]1CCCN(CCCc2ccccc2)C1 72427851 WUSOBJKLENWKJN-HNNXBMFYSA-N 318.421 0.868 0 50 DCAA O=C(O)[C@@H]1CN(C(=O)[C@@H]2COCCO2)C[C@@H]1c1ccccc1 262803720 CVKVCUFPZHUNMD-MCIONIFRSA-N 305.330 0.729 0 50 DCAA O=C(NC[C@H]1CCCN(c2ncccn2)C1)c1cccc(=O)[nH]1 215190542 WYGAEXBUNROONS-GFCCVEGCSA-N 313.361 0.811 0 50 DCAA CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cc3nccnc3cc2F)C1 284548325 IHXYFIYAGXJAJE-SDBXPKJASA-N 318.308 0.484 0 50 DCAA Cc1nccnc1N1CCN(C(=O)COC[C@@H]2CCOC2)CC1 373000838 IJNLQFAXUUIERA-CQSZACIVSA-N 320.393 0.487 0 50 DCAA CO[C@@H]1C[C@@H](CO)N(CC(=O)NCCOc2ccccc2)C1 284718689 VQDDXLXDTAUQAA-DZGCQCFKSA-N 308.378 0.263 0 50 DCAA OC1CCN(c2ccnc(N3CCn4cncc4C3)n2)CC1 72146650 LSMAXPRXFUDKCD-UHFFFAOYSA-N 300.366 0.654 0 50 DCAA Cc1nc(N2CCCCC2)ncc1C(=O)N1CCO[C@@H](CN)C1 71681462 JNHQFPFYJMBGCD-ZDUSSCGKSA-N 319.409 0.575 0 50 DCAA Cc1cc2nc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc(C)n2n1 82310424 NFIXOUBCZBQRPB-SNVBAGLBSA-N 308.363 0.263 0 50 DCAA CC(C)CN1CC[C@@H](CNC(=O)Cc2cnc(O)nc2O)C1 426495621 MXZXXYFYDMROSY-NSHDSACASA-N 308.382 0.524 0 50 DCAA COc1ccc(C(=O)N(C)C[C@H]2COCCO2)cc1OCCN 426546183 MTEWBIAFIIRDBO-ZDUSSCGKSA-N 324.377 0.520 0 50 DCAA CC1(C)CN(c2ncccn2)CC[C@]1(O)CN1CCOCC1 91914602 UWDIJFMWTQEDQT-INIZCTEOSA-N 306.410 0.776 0 50 DCAA CC1CCC(NC(=O)Cn2nnc(-c3ccncn3)n2)CC1 295147142 DVNKIHYWXYCPJQ-UHFFFAOYSA-N 301.354 0.825 0 50 DCAA COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1ccc(F)c(F)c1 184913606 IUFUSRBFOFTQDZ-GFCCVEGCSA-N 319.329 0.737 0 50 DCAA C/C=C/C[C@H](CO)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 185278737 JDZQOTJNNSTDOK-QAVQXKDTSA-N 324.402 0.578 0 50 DCAA CC(C)N(C)S(=O)(=O)NCCCN1CCC[C@H](CO)C1 670437069 HFRSAJOFRAWMDL-ZDUSSCGKSA-N 307.460 0.255 0 50 DCAA CC(=O)N1CCO[C@H]2CCN(Cc3nc(C)ccc3O)C[C@@H]21 952853111 KGTWBRQCEDTKQO-HOCLYGCPSA-N 305.378 0.917 0 50 DCAA C[C@@H]1COC[C@@](CO)(CNC(=O)c2cc3n(c2)CCCC3)N1C 1875403431 WVSQYJFOLLWHRW-DYVFJYSZSA-N 321.421 0.636 0 50 DCAA CC(C)(C)NC(=O)CCN1CC[C@@H]2OCc3cnnn3[C@@H]2C1 1076020313 MTJQESSQZBDQJO-OLZOCXBDSA-N 307.398 0.729 0 50 DCAA C=CC(=O)NCCC(=O)NC1CCN(c2ncccn2)CC1 1330247456 AKOKOQLRGZHSKY-UHFFFAOYSA-N 303.366 0.254 0 50 DCAA CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](C)CC(=O)c1cccs1 277629773 BZOTUPPXEFXWAQ-ZMLRMANQSA-N 324.402 0.807 0 50 DCAA COCc1nc(C(=O)N2CC(O)(c3ccc(F)cc3)C2)no1 170091111 JNIGSAZLSXNZKN-UHFFFAOYSA-N 307.281 0.699 0 50 DCAA CN(Cc1cccc2c1CCOC2)C[C@@H](O)CN1CCOCC1 639524898 CQFMQKQPWCAMDD-QGZVFWFLSA-N 320.433 0.884 0 50 DCAA C[C@@H]1CCN(Cc2cc(C(N)=O)cs2)CCS1(=O)=O 192046862 UAAWYPYQKVPHCE-SECBINFHSA-N 302.421 0.856 0 50 DCAA Cn1ncc2c(N)nc(NCCCCCN3CCOCC3)nc21 1529106906 TXQGMYVDTZZQMY-UHFFFAOYSA-N 319.413 0.860 0 50 DCAA Cn1nnc2cc(C(=O)N3CCC4(CCNCC4)C3)cnc21 1615046573 LCKZDJDOXYHOOB-UHFFFAOYSA-N 300.366 0.579 0 50 DCAA Cn1c(=O)n(C)c2cc(CNCCCN3CCCC3=O)ccc21 12322346 VKZZWACHZMMDGE-UHFFFAOYSA-N 316.405 0.979 0 50 DCAA CN(C)CCCNC(=O)CN(c1ccccc1)S(C)(=O)=O 13670894 WBZGJFCDZAOMPZ-UHFFFAOYSA-N 313.423 0.521 0 50 DCAA Cc1ccc(F)c(CN[C@H]2C[C@H]3C(=O)N[C@H](C)C(=O)N3C2)c1 14732522 BSJARMZTBHWQEU-OSMZGAPFSA-N 305.353 0.712 0 50 DCAA CCOc1cc(N2C[C@H](OC)C[C@H]2c2nncn2C)ncn1 343749790 ZBFKKOCRZMNXDT-MNOVXSKESA-N 304.354 0.970 0 50 DCAA COc1cc2c(cc1OC)CCN(CC(=O)NC(N)=O)CC2 138747232 MLMGOWDSSITKHO-UHFFFAOYSA-N 307.350 0.299 0 50 DCAA Cn1cc(C(=O)NC[C@@H](C(=O)O)c2ccccc2)ccc1=O 362773053 KSGNUYYVOJJFSW-CYBMUJFWSA-N 300.314 0.984 0 50 DCAA C[C@H]1CC(=O)NCCN1S(=O)(=O)c1ccc(N(C)C)nc1 376326846 DOTWRUYNEDLMKY-JTQLQIEISA-N 312.395 0.047 0 50 DCAA O=C(O)C[C@H]1COCCN1C(=O)Cn1ncc2ccccc21 263338632 WYDMTUQUKVUYRC-LBPRGKRZSA-N 303.318 0.738 0 50 DCAA Cc1n[nH]c(C)c1CCC(=O)N1C[C@@H]2COC[C@]2(C(=O)O)C1 902060146 AUDOYSILDGKXLD-IAQYHMDHSA-N 307.350 0.519 0 50 DCAA O=C(O)CN1C[C@H]2COC[C@@H]1CN(c1ncccc1Cl)C2 1704311508 MNYOKOPNWGMBKG-MNOVXSKESA-N 311.769 0.957 0 50 DCAA CC(=O)N1CCO[C@H](C(=O)N2CCOc3ccc(F)cc32)C1 934501206 DZHNWBDFPGWTRB-AWEZNQCLSA-N 308.309 0.798 0 50 DCAA CN(C)S(=O)(=O)CCN[C@@H]1CCC[C@H]1[C@@H]1CCCCN1 230989360 UFMWNCGVVDTELS-MELADBBJSA-N 303.472 0.778 0 50 DCAA Cc1nc(=NC(=O)CCc2nc(-c3ccncc3)no2)n(C)[nH]1 348256490 UITIFNRZRRVKSR-UHFFFAOYSA-N 313.321 0.562 0 50 DCAA CSCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 2384779 PESQCPHRXOFIPX-RYUDHWBXSA-N 312.391 0.585 0 50 DCAA endogenous,in-man CCOc1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1 2711254 MUBZRSYXUKYKOY-UHFFFAOYSA-N 303.318 0.735 0 50 DCAA Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)O)C1 6948307 CJYNCJMQAGDWKJ-JTQLQIEISA-N 301.368 0.522 0 50 DCAA CCN(CC)CC(=O)NCc1cccnc1N1CCOCC1 12075961 AAZGUFZVPLGFPT-UHFFFAOYSA-N 306.410 0.876 0 50 DCAA CCN1CCC[C@@H]1CNC(=O)Cn1nnnc1CN(C)C(C)C 12458261 GXUJNDIBUPQDQD-CYBMUJFWSA-N 323.445 0.114 0 50 DCAA Cc1ccc(F)c(CN2CCN3C(=O)[C@H](C)NC(=O)[C@H]3C2)c1 14535780 RXYFHPHAQYIWBQ-SMDDNHRTSA-N 305.353 0.665 0 50 DCAA CCC[C@@H](C(=O)NCCNC(=O)[C@@H](CCC)N(C)C)N(C)C 15772432 VGQXBPYIYSSXJG-OKILXGFUSA-N 314.474 0.679 0 50 DCAA CC1(C)O[C@H]2O[C@H]([C@H](O)CO)[C@H](OCc3ccccc3)[C@H]2O1 15809900 CIFFIYJOTIJKSX-UXXRCYHCSA-N 310.346 0.801 0 50 DCAA in-vitro CN(Cc1cnc2ccccc2n1)C(=O)c1ccc(=O)n(C)n1 20211187 ZCXLLNROOPDVLN-UHFFFAOYSA-N 309.329 0.996 0 50 DCAA O=C(O)CCC(=O)CC[C@H]1C(=O)C[C@@H](O)[C@H]1CCC(=O)O 27639507 PKJLCVVIYANWGF-JFGNBEQYSA-N 300.307 0.631 0 50 DCAA in-vitro O=C(CN1CCN(c2ncccn2)CC1)NCc1ccccc1 34858982 JEMTWDLGKLDSJI-UHFFFAOYSA-N 311.389 0.915 0 50 DCAA C[C@H](NS(=O)(=O)c1cccc2nsnc12)c1nncn1C 47331463 ONTGLRPRUPEFFT-ZETCQYMHSA-N 324.391 0.859 0 50 DCAA COc1cccc(OCc2cc(C(=O)NCC(N)=O)n[nH]2)c1 67967614 OIQVNDYLFYRWTE-UHFFFAOYSA-N 304.306 0.212 0 50 DCAA COCc1nc(CNS(=O)(=O)NCc2ccccc2)no1 71479715 WHWVUERZERQANZ-UHFFFAOYSA-N 312.351 0.340 0 50 DCAA CCCN1C(=O)CC[C@H]2CN(C(=O)CCn3cncn3)CC[C@H]21 72422803 QWRAHTFCNCMMSD-UONOGXRCSA-N 319.409 0.918 0 50 DCAA O=C(c1ccc(=O)[nH]c1)N1C[C@H](CO)[C@H](CN2CCCC2)C1 91694506 MNOZPZJMAUVBPK-ZIAGYGMSSA-N 305.378 0.151 0 50 DCAA Cc1cc(C)n(CCN2C[C@@]3(CCOC3)CCC2=O)c(=O)n1 91943123 MLYPYLMIRQXFDN-INIZCTEOSA-N 305.378 0.889 0 50 DCAA CN(C)Cc1cccc(CN2CCN3CCN(C)C(=O)[C@@H]3C2)c1 106708129 ZATLFPBNEQCUKK-KRWDZBQOSA-N 316.449 0.706 0 50 DCAA CN[C@H]1CCCN(C(=O)c2cnc3cc(C)ccn3c2=O)C1 133001637 JPDZKMKYZUNJGS-LBPRGKRZSA-N 300.362 0.827 0 50 DCAA CN1C[C@@H](NC(=O)Cn2nnc(-c3ccccc3)n2)CCC1=O 133694706 TUWPRPKXNVEHMV-LBPRGKRZSA-N 314.349 0.077 0 50 DCAA CNC(=O)[C@@H]1CN(C(=O)COc2ccc3c(c2)CCC3)CCO1 183536896 MOLCPIONLZKSBS-HNNXBMFYSA-N 318.373 0.528 0 50 DCAA CCOc1cnc(C(=O)N2CC[C@@H](N3CCOCC3)C2)cn1 189197291 OOHFIDYVSKZZNC-GFCCVEGCSA-N 306.366 0.422 0 50 DCAA Cc1nc(=O)c(CC(=O)NC[C@H](C)Oc2cccnc2)c(C)[nH]1 216204777 AXUNVJZQYRKVSO-JTQLQIEISA-N 316.361 0.908 0 50 DCAA CCN1CCC(N(C)C(=O)[C@H](Cc2c[nH]cn2)NC(C)=O)CC1 220542052 ASFLHMXBICDDKG-HNNXBMFYSA-N 321.425 0.400 0 50 DCAA CC(C)CN1CCN(C(=O)c2cc(CO)ccn2)[C@@H](C)C1=O 222524107 SGWTXHLIPDMGSB-LBPRGKRZSA-N 305.378 0.903 0 50 DCAA CCNC(=O)NC(=O)CN1CCC[C@@H]([C@@H](O)c2nccn2C)C1 229962894 ZMXXBDUHWVIVFQ-DGCLKSJQSA-N 323.397 0.011 0 50 DCAA CC[C@@H](C)[C@H](CO)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O 230202768 IDBVGXPJOLAWAL-MFKMUULPSA-N 319.361 0.213 0 50 DCAA biogenic O=C(N[C@H](C1CCNCC1)[C@H]1C[C@H](O)C1)c1ccc(O)cn1 252527467 CPVHIHLMXPMGMB-UXIGCNINSA-N 305.378 0.656 0 50 DCAA COc1ccccc1N1CCN(C(=O)[C@H]2C[C@H](O)CN2)CC1 261596964 AKAUWSCELYSWJS-QWHCGFSZSA-N 305.378 0.067 0 50 DCAA Cc1nn(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)O 262304217 LRIXILQAHBODKL-GFCCVEGCSA-N 323.374 0.703 0 50 DCAA CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1ncccc1O 268238383 MLCWWTKLNJSFAS-UWVGGRQHSA-N 313.379 0.235 0 50 DCAA Cc1cc(CN2CCO[C@H](C)[C@H]2C(N)=O)ccc1-n1cncn1 284727426 WRLXCUMJZIFUIZ-DOMZBBRYSA-N 315.377 0.650 0 50 DCAA Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)c1n[nH]c2c1CCC2 285533804 ROFVPCYUBLWDAD-FZMZJTMJSA-N 301.350 0.892 0 50 DCAA CCc1nn(C)c(CC)c1CNC(=O)[C@@H]1C[C@H](OC)CN1C 330553803 FZZHXUBDLZLYKU-NHYWBVRUSA-N 308.426 0.880 0 50 DCAA CNC(=O)c1cccc(CCN2C(=O)[C@@H]3COCCN3C2=O)c1 348912948 QNIFRCRXEWTDJZ-ZDUSSCGKSA-N 317.345 0.252 0 50 DCAA COc1cccc(C(=O)NCCNC(=O)[C@H]2C[C@]23CCOC3)c1 363806645 XUJDWHJTYJXLPJ-PBHICJAKSA-N 318.373 0.968 0 50 DCAA CC(C)C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCc2nccn2C1 373740098 DQPXDFGXUPUONT-QWHCGFSZSA-N 304.394 0.819 0 50 DCAA COCCN(C)C(=O)NCCc1nc(-c2cccnc2)n[nH]1 426651363 PMGXRWMBACHGRE-UHFFFAOYSA-N 304.354 0.697 0 50 DCAA O=C(NC[C@H]1CCS(=O)(=O)C1)N1CCC2(CCNCC2)C1 534577616 NJJDEKWEZBERNL-GFCCVEGCSA-N 315.439 0.206 0 50 DCAA COCC1CCN(C(=O)[C@H]2CSC(C)(C)C(=O)N2)CC1 584885458 TUOWZNIEHPSVHK-LLVKDONJSA-N 300.424 0.882 0 50 DCAA COc1ccc(CC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c(OC)c1 584885840 LBBRBYKRFCPAGM-KBPBESRZSA-N 308.378 0.380 0 50 DCAA C[C@@H]1NC(=O)[C@H](C)N(S(=O)(=O)c2cccc3c2OCC3)[C@@H]1C 585115146 OJFMAHHSXWBODO-AXFHLTTASA-N 324.402 0.908 0 50 DCAA Cc1nn(C)c(C)c1S(=O)(=O)N1[C@H](C)C(=O)N[C@@H](C)[C@H]1C 585115335 WYRQEHXOLDLICU-JVUFJMBOSA-N 314.411 0.323 0 50 DCAA CN(C)c1n[nH]c(CNC(=O)N2C[C@@H]3CCC[C@]3(CO)C2)n1 637789009 OUMWYGUDNGCRQK-IINYFYTJSA-N 308.386 0.175 0 50 DCAA Cn1c(Cn2cc(O[C@@H]3COC[C@@H]3N)cn2)nnc1C1CCC1 685941891 CTPKFMMMIGFLON-QWHCGFSZSA-N 318.381 0.432 0 50 DCAA CC(C)[C@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cnn(C)c1N)C2 685942753 VEHAIEBQHGKGBC-BRXULGCHSA-N 321.425 0.212 0 50 DCAA CN(C)c1ncc(/C=C/C(=O)NCCSc2nc[nH]n2)cn1 827603756 BPRFHKYWWCXWNA-ONEGZZNKSA-N 319.394 0.582 0 50 DCAA O=C(N[C@H]1CNC[C@H]1O)c1c[nH]nc1-c1ccccc1Cl 888096859 UKLXKQJSXLHVIY-NWDGAFQWSA-N 306.753 0.793 0 50 DCAA Cn1ncc2ccc(CNC[C@@H](O)C3(O)CCOCC3)cc21 905264710 VFQANECPIZRCSQ-OAHLLOKOSA-N 305.378 0.565 0 50 DCAA CNC[C@@H](O)CN1CCC(n2c(O)nc3ccccc32)CC1 952878121 ZFEJRBHOHAJHPX-CYBMUJFWSA-N 304.394 0.959 0 50 DCAA CC(=O)NCCC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529112034 GFDHNMOWIWEYAZ-GDBMZVCRSA-N 306.362 0.474 0 50 DCAA Cc1ncc(CN(CCO)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)[nH]1 1704329205 ORHXDWYYFUYQAH-GFCCVEGCSA-N 322.409 0.686 0 50 DCAA COc1cc(N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)nc(OC)n1 1704331758 UPZPONIPHWCXQK-MLGOLLRUSA-N 322.409 0.777 0 50 DCAA Cc1cc(S(=O)(=O)N2CC[C@H](c3nn[nH]n3)C2)ccc1F 1775985584 BGGLRCOXFBIRJJ-VIFPVBQESA-N 311.342 0.825 0 50 DCAA Cc1ccc(S(=O)(=O)N(C)CC(CO)CO)cc1N(C)C 1776005126 BSUXLKKWLXFVHZ-UHFFFAOYSA-N 316.423 0.282 0 50 DCAA COC(=O)c1cnc(N2C[C@@H](O)[C@H](Cc3cnccn3)C2)cn1 1857723782 WQUDPEBUGKGKEY-ZWNOBZJWSA-N 315.333 0.093 0 50 DCAA Cc1nc(-c2cccc(C(=O)N3CC[C@H](CO)[C@@H](O)C3)c2)no1 1857732806 HVRZACRUTXDWLJ-KGLIPLIRSA-N 317.345 0.860 0 50 DCAA O=C(c1cccnc1)N1CCC(N2CC[C@H](CO)[C@H](O)C2)CC1 1875243335 BVROIOUUNFCWLZ-GDBMZVCRSA-N 319.405 0.361 0 50 DCAA COc1cc(S(=O)(=O)N2CCCn3ncnc32)sn1 1875279828 GULFXMRGIABQPK-UHFFFAOYSA-N 301.353 0.342 0 50 DCAA C[C@H]1CCn2ncnc2N1S(=O)(=O)c1cc(C2CC2)nn1C 1875279987 NVBLBLGORWHXID-VIFPVBQESA-N 322.394 0.877 0 50 DCAA O=C(NC[C@H]1COCCO1)c1cc(-c2ccc(O)cc2)[nH]n1 1875318100 FDLDLRSHVOQQAV-LBPRGKRZSA-N 303.318 0.928 0 50 DCAA Cc1nc2ncnn2cc1C(=O)NCC[C@@H]1CCCN(C)C1 1875321737 SYKVWRNTCBWMMN-LBPRGKRZSA-N 302.382 0.894 0 50 DCAA COc1nc(C(=O)NCCc2noc([C@H]3CCCO3)n2)nn1C 2100477896 HYJGMFTXADWADI-MRVPVSSYSA-N 322.325 0.031 0 50 DCAA O=C(CC1=CCNCC1)N[C@@H]1C[C@@H](Cn2cccn2)C[C@H]1O 2325796524 WKKZFANTDZSPKY-RBSFLKMASA-N 304.394 0.449 0 50 DCAA O=C1[C@H](NC(=O)N2C[C@H]3CC[C@@]2(CO)C3)CCN1c1cc[nH]n1 2325828622 MPFVRTPHWPJGDG-RWSFTLGLSA-N 319.365 0.071 0 50 DCAA c1ccc(N=c2[nH]c(=NC[C@H]3CCNC3)[nH]c3[nH]cnc23)cc1 2325873289 BOVULSVVWNUVTI-NSHDSACASA-N 309.377 0.962 0 50 DCAA O=C(c1cnn(Cc2ccccc2)c1)N1C[C@H](O)C[C@@H](O)C1 2356156743 OKIKULDWZDPNFW-HUUCEWRRSA-N 301.346 0.499 0 50 DCAA COc1ccc(C)cc1S(=O)(=O)N1CCC(C(N)=O)CC1 99847 QXDWPFREKXACSB-UHFFFAOYSA-N 312.391 0.890 0 50 DCAA COc1ccc(OCc2nnc(SCC(N)=O)n2C)cc1 421567 SZHAVUYPGIKKQW-UHFFFAOYSA-N 308.363 0.980 0 50 DCAA CC(=O)Nn1ccc2c(cnc3nc(-c4cccnc4)nn32)c1=O 13727475 SEFQJWUXFXUWNS-UHFFFAOYSA-N 321.300 0.591 0 50 DCAA CCOC(=O)C1=NN[C@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]12 18067708 MHFNJSXACBOZDX-VXGBXAGGSA-N 315.329 0.684 0 50 DCAA O=C(O)[C@@H]1CC(=O)N(CCc2nc(-c3cccnc3)no2)C1 65432178 UBLQDGFZWUZIGT-SNVBAGLBSA-N 302.290 0.607 0 50 DCAA O=C1CN(c2nc(-c3ccccc3)nc3c2CCNC3)CCN1 67894105 VTBLDSCJEBRJMJ-UHFFFAOYSA-N 309.373 0.726 0 50 DCAA Cc1c(Cl)c(C(=O)N2CC[C@](O)(CN(C)C)C2)nn1C 72169438 LTCYRJBXQDJJSJ-ZDUSSCGKSA-N 300.790 0.521 0 50 DCAA COc1cccc(CN2C[C@H]3C(=O)NC[C@@]3(C(=O)O)C2)c1OC 72478009 VJMYCFPYYGCGEN-MEDUHNTESA-N 320.345 0.336 0 50 DCAA Cc1noc(CC2CCN(C(=O)CN3CCOC3=O)CC2)n1 95503034 IZYWGTIIUWPEFM-UHFFFAOYSA-N 308.338 0.611 0 50 DCAA CN1CCN(Cc2ccc(N3CC[C@](C)(O)[C@@H](O)C3)nc2)CC1 96153216 RSGXSNZAZURFQT-RDJZCZTQSA-N 320.437 0.151 0 50 DCAA CCN(CC)S(=O)(=O)NCc1nc(C)c(C(=O)O)s1 110789031 QWBFGEUTIBJXRF-UHFFFAOYSA-N 307.397 0.826 0 50 DCAA CSc1nn(C)c2ncn(C[C@@H](O)C(F)(F)F)c(=O)c12 170080239 WFCJAMFKSOLZJG-RXMQYKEDSA-N 308.285 0.775 0 50 DCAA CSCCC(=O)N1CCN(c2ncccc2C(N)=O)CC1 194613729 CCRNDLDFTCXYMC-UHFFFAOYSA-N 308.407 0.582 0 50 DCAA Cn1ccnc1-c1ccccc1C(=O)N[C@H]1CCNC[C@@H]1O 212560410 YSHGPPSUNWDCKA-KBPBESRZSA-N 300.362 0.540 0 50 DCAA C[C@H]1CN(S(=O)(=O)N[C@H]2CC(C)(C)OC2=O)C[C@@H](C)O1 229981931 LTLDNSBTWNHVOW-AEJSXWLSSA-N 306.384 0.024 0 50 DCAA O=C(c1c[nH]c(=O)[nH]1)N1CCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1 252512192 NYYXFVXMWCMYAN-PJXYFTJBSA-N 318.377 0.424 0 50 DCAA C[C@H](O)CN1CCN(C(=O)c2cc3c(cn2)OCCC3)[C@H](C)C1 253429263 QCOQIORBQNPUQH-OLZOCXBDSA-N 319.405 0.934 0 50 DCAA CCc1cc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)[nH]n1 264934732 QHUQNOKZNQBOAI-MRVPVSSYSA-N 304.272 0.865 0 50 DCAA C[C@@H]1CN(S(=O)(=O)c2cccc3cnccc23)C[C@H]1C(N)=O 284424095 FAKHWIFCHYVQAK-ZWNOBZJWSA-N 319.386 0.977 0 50 DCAA CC(C)(C)c1cc2c(N3CCC[C@@](O)(C(N)=O)C3)nccn2n1 323513808 IOVXIRMRFYQUMT-INIZCTEOSA-N 317.393 0.843 0 50 DCAA CCNS(=O)(=O)[C@H]1CCN(C(=O)c2cnn3ccccc23)C1 331664452 XUQWFPXURIHFRH-NSHDSACASA-N 322.390 0.488 0 50 DCAA COc1cnc(C(=O)NCC2(C(=O)N(C)C)CCCC2)nc1 340333266 SEAALIQYSVGELK-UHFFFAOYSA-N 306.366 0.864 0 50 DCAA C[C@H](NC(N)=O)C(=O)N1CC[C@H](n2ncc3ccccc32)C1 356745474 OBPIFJGDPKGIPG-JQWIXIFHSA-N 301.350 0.867 0 50 DCAA Cc1noc(C)c1S(=O)(=O)N1CCN2C(=O)OC[C@@H]2C1 361810536 DJWSYZZTOYKODC-VIFPVBQESA-N 301.324 0.117 0 50 DCAA NCCOc1ccc(CC(=O)N2CCC[C@](O)(CO)CC2)cc1 426613661 ROWSUXJURVEPGL-QGZVFWFLSA-N 322.405 0.303 0 50 DCAA OCCNc1nc([C@H]2CCOC2)cc(N2CCSCC2)n1 426711311 LKMGVFDEWWTNCC-NSHDSACASA-N 310.423 0.938 0 50 DCAA CN1C[C@H](NC(=O)c2cncnc2N)CC[C@@H]1C(F)(F)F 583620080 UXDYNAHTFYWVIU-VXNVDRBHSA-N 303.288 0.814 0 50 DCAA CNC(=O)[C@]1(COC)CCCN1C(=O)c1cc(C2CC2)n(C)n1 643950189 BWDPCDYWGZDGOI-MRXNPFEDSA-N 320.393 0.665 0 50 DCAA Cc1nn(C)c(C)c1CNC(=O)CN1CCCC[C@H](O)C1=O 644377097 UVHFHFUWZDBDBP-ZDUSSCGKSA-N 308.382 0.027 0 50 DCAA CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2CC2(C)C)CCO1 653552766 CVEUCIKSPBPJCY-NWDGAFQWSA-N 312.366 0.193 0 50 DCAA C[C@@H]1CN(Cc2csc(C(=O)O)c2)CCN1S(C)(=O)=O 656762521 DSHBITKALNXHMI-SECBINFHSA-N 318.420 0.912 0 50 DCAA CN1CCN(S(=O)(=O)c2ccc(F)cc2)C[C@@H]1CCO 670439102 HMZUDZHDDOULME-LBPRGKRZSA-N 302.371 0.513 0 50 DCAA 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VENLUQVOJMEYMO-NSHDSACASA-N 321.377 0.855 0 50 DCAA Cc1nonc1CC(=O)N[C@H](c1cnn(C)c1)[C@H]1C[C@H](O)C1 253413972 WCZBCDMKIZBIIZ-CHIMOYNISA-N 305.338 0.282 0 50 DCAA Cc1cnn([C@@H](C)CNC(=O)Cc2c(C)nc(O)nc2O)c1 534671110 ASBKIIZAKHWRFI-VIFPVBQESA-N 305.338 0.621 0 50 DCAA NC(=O)[C@@H]1CC=CC[C@H]1NC(=O)c1ccc(-n2cnnn2)cc1 534593322 DGFCLSSBGMUSOJ-CHWSQXEVSA-N 312.333 0.212 0 50 DCAA Cc1nonc1CN1CCN(C(=O)c2ccc(N)nc2)CC1 299795767 LZUAQPPAZKRCRA-UHFFFAOYSA-N 302.338 0.313 0 50 DCAA COCCn1cnnc1CNC(=O)CCc1c(C)noc1C 299802837 QYJXZHFTOSPIIX-UHFFFAOYSA-N 307.354 0.778 0 50 DCAA NC(=O)Cc1nc([C@H](O)c2ccccc2Cl)n(CCO)n1 828777014 REPDKBSDPSIPEH-GFCCVEGCSA-N 310.741 0.033 0 50 DCAA Cc1nc(O)c2c(n1)CN(C(=O)[C@@H]1CCCCn3nnnc31)C2 584898130 RZFYAESZSGSOLC-SECBINFHSA-N 315.337 0.287 0 50 DCAA CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1nc2ccccc2[nH]1 584894284 KLFCFMSRTPNYPD-GHMZBOCLSA-N 309.347 0.105 0 50 DCAA COc1ccc2ncn(C[C@H]3CN(C)C(=O)CO3)c(=O)c2c1 584891924 RESQVHUKIFKGIF-LLVKDONJSA-N 303.318 0.262 0 50 DCAA C[C@H](NC(=O)c1c(N)nn2ccccc12)C(=O)N1CCCC1 1875284116 MLRXEPLUPTUAIT-JTQLQIEISA-N 301.350 0.657 0 50 DCAA CN(C)C/C=C/C(=O)N[C@@H]1CS(=O)(=O)[C@H]1c1ccccc1 1875379299 PPDCWOQILMTNET-CXGCFGFRSA-N 308.403 0.759 0 50 DCAA CN1C[C@@H](O)[C@H](CC(=O)N2CCC(Cc3cnc[nH]3)CC2)C1 1875403784 CCNOVWYSQPPFSW-UKRRQHHQSA-N 306.410 0.503 0 50 DCAA O=C(CCc1ccco1)N1CCN([C@]2(C(=O)O)CCOC2)CC1 886077924 RBQRWRWKSIOLJQ-MRXNPFEDSA-N 322.361 0.600 0 50 DCAA COCc1nccc(N2CCC(CNS(C)(=O)=O)CC2)n1 893823089 VBBVCAZVOMGADG-UHFFFAOYSA-N 314.411 0.389 0 50 DCAA Cc1ncccc1CCNC(=O)[C@@H]1CCc2nnnn2CC1 890831655 RDLHOFKZBWGVPB-CYBMUJFWSA-N 300.366 0.688 0 50 DCAA CO[C@@H]1C[C@@H](COc2cccnc2)N(Cc2nnnn2C)C1 1775957406 SPQHTNRAAGJMTQ-WCQYABFASA-N 304.354 0.273 0 50 DCAA C[C@@H](c1cccnc1)n1cc(CCS(=O)(=O)N(C)C)nn1 899719089 PMTQDDZRPIZWAD-NSHDSACASA-N 309.395 0.716 0 50 DCAA CCC[C@H]1CN(c2ncc(F)cn2)C[C@@H]1NS(C)(=O)=O 1565516103 RLFIGBQVFYGZAZ-ONGXEEELSA-N 302.375 0.770 0 50 DCAA O=C(Cc1cnc[nH]1)N[C@H]1COCC[C@@H]1Oc1ccccn1 1565528459 YSMXXVAZBOBKRD-STQMWFEESA-N 302.334 0.700 0 50 DCAA CN(CC(N)=O)C[C@H]1CN(C(=O)C2=CCCCCC2)CCO1 276228332 DVPJCYYTUPCIQC-AWEZNQCLSA-N 309.410 0.521 0 50 DCAA O=C(c1cc2ncccn2n1)N1CCS(=O)(=O)C[C@H]1C1CC1 633294249 MYWDJFLIIIRRPB-LBPRGKRZSA-N 320.374 0.379 0 50 DCAA CN(CC(=O)OC(C)(C)C)C1CCN([C@@H]2CCNC2=O)CC1 191986678 LHOOUIUPGXTBBO-CYBMUJFWSA-N 311.426 0.613 0 50 DCAA COc1cccc(C(=O)N2CCN(C(=O)c3c[nH]nn3)CC2)c1 194154694 VSEDADUMYPBWAV-UHFFFAOYSA-N 315.333 0.412 0 50 DCAA O=C(Cn1cnc2ccccc21)N1CCO[C@@H](c2nn[nH]n2)C1 732089732 CPWLXOXHFCYBKX-GFCCVEGCSA-N 313.321 0.150 0 50 DCAA CC(=O)N1CCC(C(=O)Nc2nnc3nc(C)ccn23)CC1 1506406007 MFUVMIAEYPOYKE-UHFFFAOYSA-N 302.338 0.630 0 50 DCAA O[C@H]1CN(Cc2cnn3cccnc23)C[C@@H]1Cc1cnccn1 1615733566 IVTCQLUEUXVINY-WFASDCNBSA-N 310.361 0.555 0 50 DCAA CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1 5553911 JMLNAYZIFSGIBV-UHFFFAOYSA-N 312.347 0.238 0 50 DCAA C[C@H]1CN(C(=O)CN2CCOC2=O)CCN1c1ccc(F)cn1 1857668090 XUTCEFLLJQDYGY-NSHDSACASA-N 322.340 0.710 0 50 DCAA O=C(Cc1cccc(O)c1)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857728897 QMYMIFLXLLJRDN-PBHICJAKSA-N 316.357 0.885 0 50 DCAA O=C(NCCc1ccc(Br)s1)[C@H]1C[C@@H](O)CN1 226304586 OGRBSFNZXSUSKX-VXNVDRBHSA-N 319.224 0.892 0 50 DCAA CNC(=O)c1ccc(CN2CCC[C@]2(COC)C(N)=O)cc1 643763067 RNKVJHDNCPQRKF-INIZCTEOSA-N 305.378 0.513 0 50 DCAA COC[C@]1(C(=O)O)CCCN1Cc1nnnn1CC(F)(F)F 643878278 OEDQGKFSJPGPDX-JTQLQIEISA-N 323.275 0.301 0 50 DCAA COc1cc(CNC(=O)[C@@H]2Cn3c(C)nnc3CN2C)ccn1 644281082 ADZABGQMQWCNKB-LBPRGKRZSA-N 316.365 0.121 0 50 DCAA C[C@H](N)[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 237472525 RNCIGAGBPHZCAB-XQQFMLRXSA-N 317.455 0.386 0 50 DCAA O=C(N[C@H]1CCN(c2ccccc2Cl)C1=O)[C@@H]1CNCCO1 237907149 UHZWQLMZJSWGSV-AAEUAGOBSA-N 323.780 0.550 0 50 DCAA COc1ccc(OC)c(COC[C@H](O)CN2CCN(C)CC2)c1 22918052 CGTSIPNCQIPFPD-OAHLLOKOSA-N 324.421 0.829 0 50 DCAA Cc1nnc(N2CCN(C[C@H]3CCC4(COC4)O3)CC2)n1C 931451760 AXRHSCXDLBITEU-CYBMUJFWSA-N 307.398 0.194 0 50 DCAA CC(C)=CC(=O)NC(C)(C)c1cn([C@@H]2CN[C@H](C(=O)O)C2)nn1 67446835 XEMTXYGKTKSACF-QWRGUYRKSA-N 321.381 0.583 0 50 DCAA O=C(C[C@H]1CCS(=O)(=O)C1)NCc1cnn2ccccc12 72134472 FBSNWLUYFXGWKG-LLVKDONJSA-N 307.375 0.775 0 50 DCAA CC(C)Oc1cc(N2CCC[C@]3(CNC(=O)O3)C2)nc(N)n1 72426681 NDYYUWJALSSDHP-AWEZNQCLSA-N 307.354 0.925 0 50 DCAA COCCN1CC[C@@H](CNc2nc(C)nc3c2CCNCC3)C1 72429065 PZSLETRKAMXKRH-AWEZNQCLSA-N 319.453 0.853 0 50 DCAA O=C(CO)NCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 91289385 SPYBUOFNZLAXAT-UHFFFAOYSA-N 306.366 0.024 0 50 DCAA C[C@H](NC(=O)c1cnc(-c2cccnc2)nc1)c1n[nH]c(=O)[nH]1 95356264 QOCQEOKRBZYKKX-QMMMGPOBSA-N 311.305 0.441 0 50 DCAA O=C([C@@H]1[C@H]2CNC[C@H]21)N1CCN(CCOc2ccccc2)CC1 102522046 NZESFWOHBLYZCU-FVQHAEBGSA-N 315.417 0.675 0 50 DCAA C[C@H]1C[C@@H](C)CN1S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 134975392 ZSWUCTOHXFRJKQ-ZJUUUORDSA-N 318.420 0.753 0 50 DCAA COc1ccccc1N1C[C@@H](NC(=O)c2cn[nH]c2)CC1=O 215838107 YVEHVKIWCYROGB-NSHDSACASA-N 300.318 0.954 0 50 DCAA CN(C)c1ncc(CN2CCC[C@@H](CS(C)(=O)=O)C2)cn1 216266630 PTBOVIBHUXQYIU-GFCCVEGCSA-N 312.439 0.799 0 50 DCAA Cc1n[nH]cc1CN(C)C(=O)[C@H](c1ccccc1)n1cnnn1 219611753 PTWUTMPZINOJCH-AWEZNQCLSA-N 311.349 0.953 0 50 DCAA CCOC(=O)[C@H](C)N1CCC[C@@H](C(=O)N(C)CCOC)C1 229797037 XWKCJHFLIQFWLJ-QWHCGFSZSA-N 300.399 0.755 0 50 DCAA CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1CNCCO1 237009579 MUVOJOQOXHWAHB-ZDUSSCGKSA-N 316.361 0.260 0 50 DCAA CCCc1nc(C)c(CNC(=O)CCNS(C)(=O)=O)s1 244828556 TYJDSWDDRURKAP-UHFFFAOYSA-N 319.452 0.960 0 50 DCAA CNc1cc([C@H]2C[C@@H](NC(=O)CCN3CCOCC3)C2)ncn1 244873518 WRLLDMAZKKNWID-BETUJISGSA-N 319.409 0.603 0 50 DCAA Cc1cc(C)n(CCCNC(=O)[C@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)n1 245226066 GXSOIEZNSLSJSW-AAVRWANBSA-N 321.377 0.884 0 50 DCAA C[C@H]1OCCN[C@@H]1C(=O)N1CCC(Nc2cccnn2)CC1 262365807 VPEFBHRPXBJYBF-RISCZKNCSA-N 305.382 0.256 0 50 DCAA C[C@H](C(=O)O)N(C)C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1 269085122 LVLDOELZYCMONB-XWIASGKRSA-N 322.365 0.261 0 50 DCAA O=C(O)CCN(C[C@@H]1CCCO1)C(=O)CN1CSCC1=O 299742289 AYYDSDUWSWTPGL-JTQLQIEISA-N 316.379 0.002 0 50 DCAA CC[C@H](NC(=O)c1ncn([C@@H]2CCCNC2)n1)c1noc(C)n1 299744474 SMSNJXMQFXLGJF-MNOVXSKESA-N 319.369 0.775 0 50 DCAA NC(=O)c1cccnc1N1CCN(C(=O)C2CCOCC2)CC1 299779975 QUWOGWPTMZOFHU-UHFFFAOYSA-N 318.377 0.256 0 50 DCAA CC(=O)c1ccc(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)s1 299793102 JAVKSDQIYFFVMN-VIFPVBQESA-N 316.404 0.701 0 50 DCAA C[C@@H]1CCCN(S(=O)(=O)c2ncn(C)c2Cl)[C@H]1CN 328599937 UQUCBPAWCDQQJA-BDAKNGLRSA-N 306.819 0.821 0 50 DCAA Cn1cc(C[C@@H]2CCN(c3nc(N)c4cnn(C)c4n3)C2)cn1 364972824 OMNURFNYEVKCDU-JTQLQIEISA-N 312.381 0.748 0 50 DCAA O=C1CO[C@@H]2CCN(S(=O)(=O)c3ccccc3F)C[C@@H]2N1 366584792 SYGGQGWJLRDUMU-WDEREUQCSA-N 314.338 0.104 0 50 DCAA Cc1cc(C(=O)N2CCN([C@H]3CCCCNC3=O)CC2)n(C)n1 370068368 XKXBWLZTJMNTMW-ZDUSSCGKSA-N 319.409 0.155 0 50 DCAA Cc1cccc(F)c1S(=O)(=O)N1CCOC[C@@H]1C(=O)O 370544690 WKJXOXPVHBEFBY-SNVBAGLBSA-N 303.311 0.608 0 50 DCAA COC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1C(=O)C=C(C)C 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Cc1nc2c([nH]1)C[C@@H](C(=O)NC1(c3nn[nH]n3)CCCC1)CC2 668871979 PMXLVHNCMLBNRJ-JTQLQIEISA-N 315.381 0.922 0 50 DCAA C[C@H]1CN(C(=O)c2csc(-c3ncccn3)n2)CC(=O)N1C 669747871 SFJADAQSBXGDAD-VIFPVBQESA-N 317.374 0.903 0 50 DCAA Cc1n[nH]cc1C(=O)NCc1cc(O[C@H]2CCNC2)ccn1 818241488 BGPFRSQKBYOIHS-ZDUSSCGKSA-N 301.350 0.784 0 50 DCAA COC[C@@H]1CCCCN(C(=O)C(=O)N2C[C@@H]3CNC[C@]3(C)C2)C1 872192095 DFBKFQZISSFGCJ-JKIFEVAISA-N 323.437 0.329 0 50 DCAA O=C(NCc1ccc2cncn2c1)[C@@H]1CCc2nnc(O)n2C1 1337317826 KCNVCLCPVNRJTG-LLVKDONJSA-N 312.333 0.510 0 50 DCAA O=C(O)CO[C@H]1COCC[C@@H]1NC(=O)CCCn1cccn1 1565528891 WJDFLUCTFPKCJF-RYUDHWBXSA-N 311.338 0.038 0 50 DCAA O=C(NCCn1cc(C(=O)O)c(O)nc1=O)OC1CCCC1 1616039517 PTRXHILWQNGRRR-UHFFFAOYSA-N 311.294 0.316 0 50 DCAA CNc1ncc(C(=O)N2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)cn1 1704298732 MMGCAYCPFSJPLY-CZUORRHYSA-N 319.409 0.437 0 50 DCAA COc1cnc(C)cc1-c1nc(CC(N)=O)nn1[C@@H]1CCOC1 1857666285 FHSDFLVPPXMDIX-SNVBAGLBSA-N 317.349 0.646 0 50 DCAA O=S(=O)(N1CCCCC1)N1CCC(N2CCNCC2)CC1 1875281410 XPLNFAQHXOLERL-UHFFFAOYSA-N 316.471 0.087 0 50 DCAA CN1C[C@H](O)C[C@H]1CNS(=O)(=O)N1CCCCCCC1 1875310951 HNOPESPWJMTOTC-QWHCGFSZSA-N 305.444 0.152 0 50 DCAA CNC[C@H](O)CN(C)C(=O)c1ccc(Nc2ccn(C)n2)cc1 1875315199 LHJVYNNDGYXLAL-AWEZNQCLSA-N 317.393 0.816 0 50 DCAA COC(=O)[C@H](NC(=O)c1nc(=O)n(C)[nH]1)c1cccc(C)c1 1940196375 GPPLMXGFVUCBGO-SNVBAGLBSA-N 304.306 0.061 0 50 DCAA COC1(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)CC(N)C1 2325849411 OTCKNFQOKKZGQI-UYJPIKCFSA-N 322.409 0.198 0 50 DCAA CCC[C@@]1(C(=O)O)CN(C(=O)c2c(C)ncn2C)CC[C@H]1O 2356146909 ZWMGUPWUBWNXRF-IAQYHMDHSA-N 309.366 0.806 0 50 DCAA C[C@@H]1CN(C(=O)CN2C(=O)c3ccccc3C2=O)C[C@@H](C)O1 196302 UEGJRLFMYKIMGV-GHMZBOCLSA-N 302.330 0.918 0 50 DCAA COc1ccccc1[C@H]1CC(=O)Nc2c1c(=O)n(C)c(=O)n2C 4502185 LUPYKSNPCVYYFY-SNVBAGLBSA-N 315.329 0.567 0 50 DCAA Cc1ccccc1NC(=O)CC(=O)NCc1cc(=O)[nH]cn1 65528865 NSSPDJFQBMYXNS-UHFFFAOYSA-N 300.318 0.723 0 50 DCAA CC(C)N1CCCn2nc(C(=O)N3CCN(C)C(=O)C3)cc2C1 67676939 ONVYHHJWMKLOIV-UHFFFAOYSA-N 319.409 0.411 0 50 DCAA O=S(=O)(c1cc2ccccc2o1)N1CCC(O)(CO)CC1 67725834 JHKUQJJIAXBCSC-UHFFFAOYSA-N 311.359 0.941 0 50 DCAA CN(Cc1cc2n(n1)CCNC2)Cc1nc2ccccc2c(=O)[nH]1 72162651 XTPLFHGRTGIRGP-UHFFFAOYSA-N 324.388 0.855 0 50 DCAA O=C(c1ccc(C(F)(F)F)nc1O)N1CCOC[C@@H](O)C1 77440372 LGOWQGVGBHXFDF-ZETCQYMHSA-N 306.240 0.639 0 50 DCAA CCc1nc(N)nc(N2CCCN([C@H]3COC[C@@H]3O)CC2)c1C 95374040 FDAFDTZVEFIIKR-KBPBESRZSA-N 321.425 0.201 0 50 DCAA Cc1nc(CCNC(=O)[C@@H]2CCCN(C(C)C)C2)cc(=O)[nH]1 95525124 OFGNQNWOYAUWAX-CYBMUJFWSA-N 306.410 0.857 0 50 DCAA CC1(C)O[C@H]2[C@H](O1)[C@H](CO)O[C@H]2n1ccc(=O)[nH]c1=S 101365221 YZPAYNHRIOAAHF-QRYDPKPESA-N 300.336 0.316 0 50 DCAA O=C1CN(C(=O)COc2nnc(-c3ccccc3)o2)CCN1 120148780 QIYYBOWUJSFXOF-UHFFFAOYSA-N 302.290 0.074 0 50 DCAA Cc1nn(C)c(C)c1OCC(=O)N1CCC(n2cncn2)CC1 128645616 BNPAPDDGVSFSFK-UHFFFAOYSA-N 318.381 0.871 0 50 DCAA O=C1Cc2ccc(CC(=O)N3CCOC[C@]34CCOC4)cc2N1 194387316 GSNGSTHEXQOIAB-QGZVFWFLSA-N 316.357 0.742 0 50 DCAA Cc1nc(SCCNC(=O)c2c[nH]c(=O)c(Cl)c2)n[nH]1 215166111 MJKXTINQNHXNGL-UHFFFAOYSA-N 313.770 0.977 0 50 DCAA CSCC(=O)N1CC[C@H]2[C@H](CCC(=O)N2CCCO)C1 215368102 YKVDUDMVACPNBP-NEPJUHHUSA-N 300.424 0.571 0 50 DCAA Cc1ccc(CN(CCN(C)C)C(=O)[C@H]2CNCCO2)s1 215546192 UCJLEEPRKPFPKW-CQSZACIVSA-N 311.451 0.935 0 50 DCAA COc1ccc([C@@H](NC(=O)CNC(N)=O)c2ccncc2)cc1 216346005 KVGGODDIGMWVDT-OAHLLOKOSA-N 314.345 0.964 0 50 DCAA CC[C@]1(O)CCN(C(=O)c2c(C)cc(C)n(C)c2=O)C[C@@H]1O 216723209 PWRUTWJWFVTAKN-LRDDRELGSA-N 308.378 0.350 0 50 DCAA Cc1ccc(C)c(CC(=O)N2CCN3C(=O)CNC(=O)[C@H]3C2)c1 219791895 QCOSQHNMIYVHHD-CQSZACIVSA-N 315.373 0.015 0 50 DCAA CCc1nc(CC(=O)N2CCN3C(=O)N(C)C[C@H]3C2)cs1 225619614 MKDPGKBEWISBFD-NSHDSACASA-N 308.407 0.826 0 50 DCAA CC[C@](O)(C(=O)NC[C@H](O)C(=O)OC)c1cccc(Cl)c1 241774194 RNUUDZBPUYPPQP-SMDDNHRTSA-N 315.753 0.588 0 50 DCAA CN(C)C(=O)CCNc1ncnc2ccc(S(C)(=O)=O)cc12 252494624 OAKFDQKJQRMGTO-UHFFFAOYSA-N 322.390 0.924 0 50 DCAA COC(=O)CCN(C)S(=O)(=O)N1CC[C@H](C)C[C@@H]1[C@@H](C)O 252514302 BXRKHINAZISOHO-QJPTWQEYSA-N 322.427 0.207 0 50 DCAA CC(C)S(=O)(=O)N1CC[C@@H](NCc2nccn2C)[C@H](C)C1 252672200 PNJKVODPIZYTSN-CHWSQXEVSA-N 314.455 0.958 0 50 DCAA CCOc1cc2c(cc1CNC(=O)[C@@H]1C[C@@H](O)CN1)O[C@H](C)C2 269209925 OTNIIUYOPFUMAV-HONMWMINSA-N 320.389 0.748 0 50 DCAA Cn1nccc1[C@H]1OCC[C@@H]1NC(=O)COc1cccnc1 285473623 MRJSQALXOMOPCP-WFASDCNBSA-N 302.334 0.840 0 50 DCAA CO[C@H]1C[C@@H](CN2CCCC2)N(c2ccc(C(N)=O)nn2)C1 286463363 RNBWPNOFESNRID-RYUDHWBXSA-N 305.382 0.265 0 50 DCAA CCO[C@@H]1C[C@H](NS(=O)(=O)c2c(N)noc2C)[C@@H]1OC 289852270 MKKFYAYQFQFCEP-YIZRAAEISA-N 305.356 0.036 0 50 DCAA CCOc1nccc(C)c1C(=O)N1C[C@H]2[C@@H](C1)OCCN2C 299749296 JWEAYHAZGXVLLR-QWHCGFSZSA-N 305.378 0.944 0 50 DCAA Cc1cccc(C[C@H](CNC(=O)[C@@H]2COCCO2)C(=O)O)c1 299751777 RRJFCBTWBSUWAJ-KGLIPLIRSA-N 307.346 0.770 0 50 DCAA COCC(=O)N1CC[C@@H](NC(=O)c2cc(C)oc2C)[C@H](O)C1 299784249 WZKYRMFRRCNPHM-CHWSQXEVSA-N 310.350 0.234 0 50 DCAA COCCN1C[C@@H](c2nc(-c3ncc(C)cn3)no2)CC1=O 329738542 UJZSCVNWDFJAMT-JTQLQIEISA-N 303.322 0.797 0 50 DCAA O=C(C[C@@H]1CCCO1)N1CC[C@@H](Nc2ccc3nccn3n2)C1 333216087 CNDHMEMVMZUYJA-OLZOCXBDSA-N 315.377 1.311 0 50 DCAA Cc1ccc(O)c(CN[C@@H]2CCN(c3ccn(C)n3)C2=O)n1 360092617 KMHJEAKONLWOKH-LLVKDONJSA-N 301.350 0.724 0 50 DCAA O=C(N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O)C1CCOCC1 426445183 XJIHSFSNABWRRL-HZPDHXFCSA-N 319.405 0.560 0 50 DCAA Cc1ccc(S(=O)(=O)NCc2noc(C(N)=O)n2)c(C)c1 534638333 LWLTWEZXDWRVQR-UHFFFAOYSA-N 310.335 0.264 0 50 DCAA CN1CCCN(CC(=O)N2CCC[C@@H](c3ccncn3)C2)CC1 584899562 WLWBCUYAYPQQJD-OAHLLOKOSA-N 317.437 0.820 0 50 DCAA Cc1nc2ccc(C(=O)NC3(C(N)=O)CCOCC3)cc2o1 684215847 KSKPVDWFKVYFOP-UHFFFAOYSA-N 303.318 0.901 0 50 DCAA Cc1cccc(O[C@H](C)C(=O)N2CCOC[C@H]2c2nn[nH]n2)c1 737400354 AINBKCDWDIYPJD-YPMHNXCESA-N 317.349 0.876 0 50 DCAA CCc1ccnc(C(=O)N2CCC[C@](O)(c3cnn[nH]3)C2)c1 794067265 MXOSLWBPINNUFA-OAHLLOKOSA-N 301.350 0.886 0 50 DCAA CCn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnc(C)cn2)cn1 818602206 JIJUPZPCGJQKGR-UONOGXRCSA-N 317.349 0.578 0 50 DCAA CCn1cnnc1[C@H](C)NC(=O)CCN1C[C@H](C)O[C@H](C)C1 823592580 QNJZUODSZMMYEE-XQQFMLRXSA-N 309.414 0.975 0 50 DCAA Cc1ccc(S(=O)(=O)NCCCNC(=O)[C@H]2C=CCN2)cc1 827785158 GFOBDEIQUNXQSR-CQSZACIVSA-N 323.418 0.308 0 50 DCAA O=C(N[C@@H]1CCN(c2ccccc2F)C1)[C@H](O)c1cnc[nH]1 868531548 ZIDZWJZWFYYOFT-QMTHXVAHSA-N 304.325 0.977 0 50 DCAA CC(C)c1cccc(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)n1 885302660 YETQDEBOCKNZBN-NSHDSACASA-N 311.407 0.956 0 50 DCAA CCc1ncc(CN2CCC[C@@](O)(Cc3nncn3C)C2)cn1 886089049 SONXQZUDTSBHOL-MRXNPFEDSA-N 316.409 0.737 0 50 DCAA Cc1ncncc1C(=O)N[C@H]1COC[C@H]1Oc1cnn(C)c1 888093536 DAMAQMNLFTYBNE-QWHCGFSZSA-N 303.322 0.095 0 50 DCAA Cc1nc(C)c(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)[nH]1 930444524 ZMWFUVWBZLHMEC-GFCCVEGCSA-N 300.428 0.882 0 50 DCAA Cn1ccnc1[C@@H](NC(=O)[C@@H]1CCCN(CC(N)=O)C1)C1CC1 952965888 UOJTTZAUGQPGQS-OCCSQVGLSA-N 319.409 0.185 0 50 DCAA CC(C)CN(C(=O)CN1C[C@@H]2COC[C@]2(C(=O)O)C1)C(C)C 1615549511 BKBAMHDATGGVBR-CZUORRHYSA-N 312.410 0.912 0 50 DCAA O=C1C[C@@H](NC(=O)Nc2ccc(OC3COC3)cc2)C(=O)N1 1615572471 UTDTUZZQMOGXLT-LLVKDONJSA-N 305.290 0.001 0 50 DCAA C[C@H](O)[C@H](C)N1CCN(C[C@@H](O)COc2ccccc2)CC1 1615586225 SDDJRMIULPDPOA-HRCADAONSA-N 308.422 0.813 0 50 DCAA C[C@@H](C[S@](C)=O)NS(=O)(=O)c1cnc2sccn12 1615586750 YEPRXUSQXQYJLP-SKLCBMLGSA-N 307.422 0.441 0 50 DCAA CC[C@@H]1OC2(CCN(c3cc(N(C)C)ncn3)CC2)NC1=O 1615588854 ILSHQXOKCVWZCI-NSHDSACASA-N 305.382 0.764 0 50 DCAA CO[C@@H]1CCC[C@]12CCCN(C(=O)CCCS(N)(=O)=O)C2 1704299934 VLWGJJSEIKKBBM-TZMCWYRMSA-N 318.439 0.863 0 50 DCAA C[C@@H]1O[C@H](C)C[C@@H]1C(=O)Nc1cnc(N2CCNCC2)nc1 1774599793 CCVXWVJRJDPUCI-MDZLAQPJSA-N 305.382 0.638 0 50 DCAA CCc1c(C)nn(CC(=O)N2C[C@@H]3COC[C@]3(C(=O)O)C2)c1C 1775976873 AWNJJGBSDJFJDG-MLGOLLRUSA-N 321.377 0.622 0 50 DCAA O=C(CN1CCOC1=O)N1CCCN([C@@H]2CCSC2)CC1 1775980967 MMVKFMHKVJSPOX-GFCCVEGCSA-N 313.423 0.478 0 50 DCAA Cn1c(O)nc(N2CC[C@@H](OCCN3CCCCC3)C2)cc1=O 1776006088 MDFLMUNFZSZANB-CYBMUJFWSA-N 322.409 0.567 0 50 DCAA Oc1cc(CN2CCC[C@H](CN3CC[C@H](O)C3)C2)nc(O)n1 1875271499 DCQJRYZAMHRVFA-AAEUAGOBSA-N 308.382 0.166 0 50 DCAA COC1CN(S(=O)(=O)NCC23CCC(C)(CC2)CO3)C1 2325782795 HDOPATJSVRJYSA-UHFFFAOYSA-N 304.412 0.501 0 50 DCAA Cn1nccc1N1CCC[C@H](NC(=O)[C@H]2C[C@H](N(C)C)C2)C1=O 2325784805 KXLUNLJXNSLOKC-AVGNSLFASA-N 319.409 0.372 0 50 DCAA CN1CCN(S(=O)(=O)c2ccc(F)s2)C[C@H]1C(=O)O 2325790474 NWDJANRDKBLGNA-ZETCQYMHSA-N 308.356 0.277 0 50 DCAA C[C@@H](O)C1CN(C(=O)Nc2cnn(CCN3CCCC3=O)c2)C1 2325829763 RRCDIOZKJLHBMI-LLVKDONJSA-N 321.381 0.350 0 50 DCAA O=C(NC[C@H]1COc2ccccc2O1)C(=O)N1CCCCC1 2810368 IEACMFRRDYPEAJ-LBPRGKRZSA-N 304.346 0.955 0 50 DCAA C[C@](O)(CN1CCO[C@@H](Cn2cncn2)C1)c1ccccc1 229499745 DVDMNTXGLFFSEQ-CVEARBPZSA-N 302.378 0.887 0 50 DCAA C[C@@H]1CCCCN1CCNC(=O)N1C[C@H](O)[C@@H](N2CCCC2)C1 252476937 FAVNJACNRPXFQT-PMPSAXMXSA-N 324.469 0.711 0 50 DCAA O=C([C@@H]1CCCCN1C(=O)[C@@H]1CCC(O)=N1)N1CCOCC1 329090226 IYCBGWJLGGTIEP-RYUDHWBXSA-N 309.366 0.345 0 50 DCAA CC(C)N1CC[C@@H](NC(=O)N[C@H](C)CO[C@H]2CCOC2)C1=O 332697495 ZJFPWCXCVCKWOZ-FRRDWIJNSA-N 313.398 0.489 0 50 DCAA Cc1cnc(N[C@H]2CCCN(CCN3CCOCC3)C2=O)nc1 360435755 HXBFKAXJNPKDJX-AWEZNQCLSA-N 319.409 0.520 0 50 DCAA Cn1ncc(N2CCO[C@@H](CCNC3CCCC3)C2)cc1=O 77522747 LTYNEDQGCPRFLM-HNNXBMFYSA-N 306.410 0.908 0 50 DCAA COc1ccc(C(=O)NC[C@H]2CN(C)CCN2C)c(F)c1F 219347639 IXVBVGHOMPLDJE-JTQLQIEISA-N 313.348 0.949 0 50 DCAA CCN1CCO[C@@H](C(=O)NC2CCN(c3nccn3C)CC2)C1 373511213 ZRLBWRPDCQDNIR-CQSZACIVSA-N 321.425 0.226 0 50 DCAA CN1C(=O)CN(NC(=O)C[C@@H]2CCOc3ccccc32)C1=O 378366069 ADUZWEVTDMGDNE-JTQLQIEISA-N 303.318 0.868 0 50 DCAA CCc1nnc(N2CCC[C@](O)(Cn3ccnn3)C2)nc1CC 284721262 LMFRIKDKXDLFGW-OAHLLOKOSA-N 317.397 0.619 0 50 DCAA Cc1ccc(OCC(=O)N2CCC[C@@](O)(C(N)=O)C2)cc1C 284813766 BLMMQCJYAJKWBI-INIZCTEOSA-N 306.362 0.521 0 50 DCAA C[C@@H](C(=O)O)C(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 263568209 YGNZAYKPIDKMPK-HTQZYQBOSA-N 312.272 0.907 0 50 DCAA C[C@@H]1NC(=O)CC[C@@H]1NC(=O)CN1C(=O)Cc2ccccc21 614454646 IJGGGVZUFUOZJM-JQWIXIFHSA-N 301.346 0.359 0 50 DCAA CS(=O)(=O)NCC[C@@H]1CCCCN1CC1CCNCC1 178958145 PUMCEHMZLJDXFV-AWEZNQCLSA-N 303.472 0.780 0 50 DCAA Cc1nccc(N2CCN(C)[C@@]3(CCC(=O)N(C)CC3)C2)n1 230199254 ULXNRXBSWALTNZ-MRXNPFEDSA-N 303.410 0.918 0 50 DCAA Cc1c[nH]c(C(=O)N[C@@H]2CCN(Cc3cccnc3)C[C@H]2O)n1 244678452 IDFZEPHUVZMYOJ-ZIAGYGMSSA-N 315.377 0.478 0 50 DCAA CC[C@@H](C(=O)N1CCN(CCn2cncn2)CC1)n1cccn1 244873305 WNWAJUTWAPAGPK-AWEZNQCLSA-N 317.397 0.270 0 50 DCAA CC(=O)N1CC[C@@H](NC(=O)c2c(F)ccc(C)c2F)[C@H](O)C1 243914731 BKAMFHMNSYGEJX-VXGBXAGGSA-N 312.316 0.985 0 50 DCAA NC(=O)c1ncn([C@@H]2CCCN(C(=O)NC3CC=CC3)C2)n1 299739538 PUCKXBHREWQUSU-LLVKDONJSA-N 304.354 0.442 0 50 DCAA Cc1ccnn1CCC(=O)N1CC[C@@H]2OCc3cnnn3[C@H]2C1 299764433 WEOXYYVRIVKVMV-KBPBESRZSA-N 316.365 0.546 0 50 DCAA Cc1c[nH]ccc1=NCCNC(=O)[C@H]1CSC(C)(C)C(=O)N1 670456486 ZLJFHUULBFLLMR-GFCCVEGCSA-N 322.434 0.350 0 50 DCAA C[C@H]1NC(=O)O[C@@]12CCN(C(=O)c1cc(O)nc(C3CC3)n1)C2 1875332647 CLLBJWZSMXGZAF-ANRSDYALSA-N 318.333 0.773 0 50 DCAA Cn1nc2ccccc2c1C(=O)N[C@H]1CCO[C@H]1c1nc[nH]n1 952888170 FZYRBKADDQULDA-WCQYABFASA-N 312.333 0.951 0 50 DCAA C[C@@H]1OCC[C@@H]1C(=O)NS(=O)(=O)[C@@H]1CCCN(CCF)C1 1875294411 RBPWZSFNZLXVMQ-TUAOUCFPSA-N 322.402 0.291 0 50 DCAA C[C@H](O)Cn1cnc(-c2ccccc2)c1C[C@H](O)[C@H](O)CO 1875269327 XEHBUAVUUJXJHP-TUKIKUTGSA-N 306.362 0.188 0 50 DCAA C[C@H](O)c1cn(C[C@@]2(O)CCN(Cc3ccccc3)C2)nn1 881424005 HULJYOLBKGLXOF-XJKSGUPXSA-N 302.378 0.968 0 50 DCAA CCn1nc(C)c(CN2CCC[C@](O)(Cc3nncn3C)C2)n1 886088292 GHTAZNRJQXFBQH-HNNXBMFYSA-N 319.413 0.305 0 50 DCAA NC(=O)c1ccc(O[C@H]2COCC[C@@H]2NC(=O)C2CC2)cc1 1565513406 WAZFQLZFOBZEGZ-KBPBESRZSA-N 304.346 0.848 0 50 DCAA Cc1cn2nc(N[C@@H]3CCN(Cc4cnnn4C)C3)ccc2n1 681920923 NYOBRSFNZHPNHQ-GFCCVEGCSA-N 312.381 0.853 0 50 DCAA COC(=O)[C@H]1C[C@@H](O)CN1CCn1c(C)nc2ccccc21 170089390 QSCZAIWNYNDGKZ-IUODEOHRSA-N 303.362 0.953 0 50 DCAA CC1(CNC(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)COC1 1529169472 ZQWNICIEIDKDBL-KGLIPLIRSA-N 304.346 0.395 0 50 DCAA COc1cc(C(=O)OCCCCNC(=N)N)cc(OC)c1O 5998954 WNGSUWLDMZFYNZ-UHFFFAOYSA-N 311.338 0.829 0 50 DCAA biogenic,in-vivo CC(=O)N1CCN(C(=O)c2n[nH]c3c2C[C@@H](C)O[C@H]3C)CC1 1857528578 HHUXNEAKWWUPNQ-ZJUUUORDSA-N 306.366 0.736 0 50 DCAA Cc1nnc(N2C[C@H](C(=O)NCC3CCOCC3)CC2=O)s1 1875251131 NJDMOSVFRPVLEK-LLVKDONJSA-N 324.406 0.742 0 50 DCAA CCC1(CC)[C@@H](NC(=O)c2nccnc2C(N)=O)C[C@H]1OC 133404999 YXXOKDZJUAENBB-VHSXEESVSA-N 306.366 0.899 0 50 DCAA Cc1c(-c2cc(C(=O)N3CC[C@](C)(O)[C@H](O)C3)no2)cnn1C 248066488 WDEKMBXXIKOFRX-HIFRSBDPSA-N 320.349 0.341 0 50 DCAA c1cnc(N2CCN(C[C@@H]3CC4(CCNCC4)CO3)CC2)cn1 903737206 QPHOMGQMUDDHQV-HNNXBMFYSA-N 317.437 0.757 0 50 DCAA CC(C)CCn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C 192124 WFTITDKHVHHYSX-UHFFFAOYSA-N 321.381 0.306 0 50 DCAA biogenic O=C(CCn1c(=O)[nH]c2ccccc2c1=O)NCc1cccnc1 424162 LXRCHKGENZJPOC-UHFFFAOYSA-N 324.340 0.791 0 50 DCAA O=C(CN1CCCCC1)NCCNC(=O)CN1CCCCC1 4197586 ATRZMNWPVCYNHP-UHFFFAOYSA-N 310.442 0.191 0 50 DCAA CNC(=O)[C@H]1CCN(c2ncnc3sc4c(c23)CCNC4)C1 65408937 HIUNWHIXMXGCEM-VIFPVBQESA-N 317.418 0.909 0 50 DCAA CN(C)c1nc2c(c(=O)[nH]1)CCN(C(=O)[C@H]1CCCCO1)CC2 65504106 QCQFGKPRKYVASO-CYBMUJFWSA-N 320.393 0.332 0 50 DCAA O=C1NCCN(C(=O)CCc2nc3ccccc3[nH]2)[C@H]1CCO 67587819 BZLAFNIMNUCQOQ-ZDUSSCGKSA-N 316.361 0.205 0 50 DCAA CCCc1cc(C(=O)N2CCC3(CC2)NCCNC3=O)no1 67772366 ZKSUYAAAGGQLAC-UHFFFAOYSA-N 306.366 0.321 0 50 DCAA COCCN1CCC[C@@H](c2nnc(CN3CCOCC3)n2C)C1 77555780 PJFWQOAAVKPLCX-CQSZACIVSA-N 323.441 0.473 0 50 DCAA COc1cccc2c1CC[C@H]2NS(=O)(=O)N1CCOCC1 132015920 ZBPZXPVPCGJONU-CYBMUJFWSA-N 312.391 0.849 0 50 DCAA C[C@@H](CS(C)(=O)=O)NC(=O)NOCc1ccc(F)cc1 183700311 SKTQLUZBCUDSJA-VIFPVBQESA-N 304.343 0.990 0 50 DCAA COc1ccc2c(c1)O[C@H]1[C@@]3(O)C=CC(=O)C=C3OC[C@@]21O 210311622 KCZDVVIQRZQQQU-ARFHVFGLSA-N 302.282 0.428 0 50 DCAA biogenic O=C(NCCNc1cc(C2CC(O)C2)ncn1)c1cccnc1 219563086 ATMCAUFLUZKERT-UHFFFAOYSA-N 313.361 0.952 0 50 DCAA C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C[C@H]1CO 275237473 DZIQBUALCAMAKV-MNOVXSKESA-N 313.375 0.707 0 50 DCAA O=C1CC[C@@H](C(=O)NCc2ccc3c(c2)CCCO3)NC(=O)N1 299759947 PQZXMYMAHDTYNT-LBPRGKRZSA-N 317.345 0.616 0 50 DCAA CCCN1C[C@H](C(=O)N2CCc3ncnc(O)c3C2)CCC1=O 299782951 QRRGXNWEPPROCF-LLVKDONJSA-N 318.377 0.716 0 50 DCAA O=S(=O)(CC1CCCC1)NCCCN1CCC(O)CC1 305204765 MMHAGIKXLUPMGA-UHFFFAOYSA-N 304.456 0.943 0 50 DCAA CC(=O)N(C[C@H]1CCCN1C[C@H](O)CN1CCCC1=O)C1CC1 328622824 BMOQNKKYPDXNSJ-CVEARBPZSA-N 323.437 0.445 0 50 DCAA O=S1(=O)CC[C@@H](Nc2nccc(N[C@H]3CCCOC3)n2)C1 328627068 FTVDMRVTZIQTEH-WDEREUQCSA-N 312.395 0.667 0 50 DCAA COCC[C@H]1COCCN1C(=O)CCc1c(C)nc(C)nc1O 330917317 LRRKBPJHDYNVJM-ZDUSSCGKSA-N 323.393 0.996 0 50 DCAA NC(=O)Cn1cc(C(=O)N2CCC[C@H](c3ccccc3)C2)nn1 348864809 FYBKSBAXLYHRFU-ZDUSSCGKSA-N 313.361 0.783 0 50 DCAA CN1CC[C@H](N2CCN(c3cc(C4(C)CC4)[nH]n3)CC2)C1=O 372344685 GRWSBUXZVZGURX-LBPRGKRZSA-N 303.410 0.814 0 50 DCAA CCOC1CC(C(=O)N2CCN([C@@H]3CCCCNC3=O)CC2)C1 376681930 SLRAJVFYTIEVMT-YMAMQOFZSA-N 323.437 0.614 0 50 DCAA CC(=O)N1CCOC[C@H]1C(=O)N(C)Cc1ncc(Cl)n1C 378499875 SHZLMYNCRCZLFH-JTQLQIEISA-N 314.773 0.279 0 50 DCAA Nc1ccnc(-c2cccc(C(=O)NCCOCCO)c2)n1 534631149 GOBCXCMSOZPHER-UHFFFAOYSA-N 302.334 0.465 0 50 DCAA Cn1c(SCc2noc(C(N)=O)n2)nnc1[C@H]1CCCNC1 534663471 IQRGXLSKPYJJLG-ZETCQYMHSA-N 323.382 0.056 0 50 DCAA COc1ccc(/C=C/CN2CCN(CC(=O)O)C(=O)C2)cc1 534670956 YEFGCHWOSDQRAD-NSCUHMNNSA-N 304.346 0.937 0 50 DCAA CCCOCC(=O)N[C@@H]1CCC(=O)N(C)[C@H]1c1cncn1C 583620933 ILOLKHNOAFETLJ-IAQYHMDHSA-N 308.382 0.625 0 50 DCAA Nc1cc(O)nc(CCNC(=O)c2ccc3c(c2)OCCO3)n1 584901357 OXTFWULELXCWLQ-UHFFFAOYSA-N 316.317 0.508 0 50 DCAA CO[C@@H]1C[C@@H](c2ncc[nH]2)N(S(=O)(=O)c2cn(C)cn2)C1 643718784 HFDPNCFGJSHRSY-ZJUUUORDSA-N 311.367 0.294 0 50 DCAA C[C@@]12COC[C@H]1CN(S(=O)(=O)c1csnc1C(=O)O)C2 656727269 HYMMFDUSTMIEOC-RDDDGLTNSA-N 318.376 0.498 0 50 DCAA O=C(N[C@@H]1CCOc2c(F)cccc21)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 667055426 LQVBWTVSGINRCP-AAVRWANBSA-N 323.320 0.178 0 50 DCAA Cc1ccc(C(=O)O)cc1CNC(=O)CN1CCCNC(=O)C1 670452719 WJGLMNFLXLUBRA-UHFFFAOYSA-N 319.361 0.131 0 50 DCAA Cc1nc(CNS(=O)(=O)c2ccc(C(=O)O)n2C)cs1 670461427 FCOXUWUAUIKREZ-UHFFFAOYSA-N 315.376 0.967 0 50 DCAA Cn1ncnc1CCNC(=O)N1CCC[C@H](c2ncc[nH]2)C1 827927119 YJXOFQFWLQOZOJ-NSHDSACASA-N 303.370 0.670 0 50 DCAA C=CC(=O)N(C)CC(=O)N1C[C@H](c2ccccc2)[C@@H](C(N)=O)C1 861994209 LGHJTFAGWPSODZ-KGLIPLIRSA-N 315.373 0.358 0 50 DCAA CCN1CCN(CC(=O)NC[C@H]2CC[C@H](C(=O)NC)CC2)CC1 952970630 FBJAYJJXUITLAR-SHTZXODSSA-N 324.469 0.293 0 50 DCAA Cc1cn(C)nc1C(=O)N[C@@H]1CN([C@@H]2CCNC2=O)CC1(C)C 974572557 BVEGVCYRERTXEL-VXGBXAGGSA-N 319.409 0.057 0 50 DCAA CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@@H]1CCCSC1 1362650081 RNODGUWXYLRJDD-SECBINFHSA-N 303.409 0.533 0 50 DCAA Cc1cccc(NC(=O)CC(=O)NC[C@]2(O)CCNC2)c1C 1506422869 ASBFASQDYJPONL-INIZCTEOSA-N 305.378 0.473 0 50 DCAA CC(C)C(=O)N1CCC[C@@H](Nc2cc3nncn3c(N)n2)C1 1529172362 FOCZQIASEAZOHD-SNVBAGLBSA-N 303.370 0.765 0 50 DCAA O=C1CO[C@H](C(=O)NC2CCNCC2)[C@@H](c2ccccc2)N1 1704278132 ACDLFRVNLZFSMJ-CABCVRRESA-N 303.362 0.111 0 50 DCAA CC[C@@]12C[C@@H]1CN(C(=O)CN1CCN(c3ncccn3)CC1)C2 1772811250 UVPOFJVISLVZPY-PBHICJAKSA-N 315.421 0.857 0 50 DCAA CCn1nc(C)c(C(=O)NCCc2nc(-c3ccco3)n[nH]2)n1 1775986275 QGOTZKULQOFILM-UHFFFAOYSA-N 315.337 0.957 0 50 DCAA COCCn1cnnc1CCNC(=O)[C@H]1CC2CCN1CC2 1800410875 CPKHWKKNRAGERP-CYBMUJFWSA-N 307.398 0.068 0 50 DCAA O=C(c1ccc(O)cc1F)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1875245190 OGLKTAMTOMPFLU-DOMZBBRYSA-N 306.293 0.705 0 50 DCAA O=C(N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1cnc2ccccc2c1 1940197565 ZVBSRZLBBYHHFT-KBUPBQIOSA-N 300.314 0.492 0 50 DCAA CCCn1nc(C)c(CNC(=O)[C@@H]2CN(C)CC[C@H]2O)c1C 2100484008 YSUBTMWHDJTDOP-HUUCEWRRSA-N 308.426 0.839 0 50 DCAA O=C(O)[C@@H]1CN(CCS(=O)(=O)c2ccccc2)CC[C@@H]1O 2100537760 UHWZSHZCWGPLNU-OLZOCXBDSA-N 313.375 0.228 0 50 DCAA O=C(c1ccc(F)c2c1OCC2)N1CCO[C@H](c2nn[nH]n2)C1 2325810085 JQLHYGUZRLZZSJ-NSHDSACASA-N 319.296 0.487 0 50 DCAA COCCNC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 8184383 QSDNZBAYQIPOFS-UHFFFAOYSA-N 316.379 0.322 0 50 DCAA CC(C)CO[C@@H](C)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 229794531 DODXLEWPTBIEOH-UONOGXRCSA-N 313.442 0.751 0 50 DCAA C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCO[C@]2(CCO[C@@H]2C)C1 329943274 HPYYTPVPQANXGZ-KNCOVGOOSA-N 313.394 0.977 0 50 DCAA CCNC(=O)CN1CCN(CC[C@@H](O)c2ccccc2)CC1 253417470 UCDMKIZWFRXCLB-MRXNPFEDSA-N 305.422 0.864 0 50 DCAA CCn1nc(C)c(C(=O)N2CCO[C@@]3(CNCCOC3)C2)c1C 72162400 OVDJUUWYSSHOHE-INIZCTEOSA-N 322.409 0.351 0 50 DCAA Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)Cc1c[nH]c(=O)n(C)c1=O 215378158 YVUKSBNKKYFFEE-SNVBAGLBSA-N 319.365 0.176 0 50 DCAA CN1CCC[C@@H](N2CCN(C(=O)C3(O)CCCCC3)CC2)C1 364088112 NKHCTSNSGVYHNL-OAHLLOKOSA-N 309.454 0.920 0 50 DCAA COc1cc(CN2C(=O)N[C@@](C)(c3cnccn3)C2=O)ccn1 368514790 RFBSDVIHBOIJQL-HNNXBMFYSA-N 313.317 0.847 0 50 DCAA O=C(N1CCC[C@](O)(Cn2ccnn2)C1)C12CCCN1CCC2 329162989 GBAWAAYZYIFKIF-OAHLLOKOSA-N 319.409 0.260 0 50 DCAA Cc1cc(NC(=O)CN2CCOC[C@@H]2c2c(C)n[nH]c2C)no1 371310236 IDWDWDUREITMCD-GFCCVEGCSA-N 319.365 1.335 0 50 DCAA CCN1C(=O)[C@@H]2CN(C(=O)c3c[nH]nc3C3CC3)CCN2C1=O 372759610 APHCLJXTPFSFDQ-NSHDSACASA-N 317.349 0.396 0 50 DCAA O=C([C@@H]1COCCN1C1CCCC1)N1CCn2cnnc2C1 373539887 ZLBKFMMIDVEIAZ-ZDUSSCGKSA-N 305.382 0.264 0 50 DCAA COc1cccc(CCNC(=O)[C@]2(O)CCCN(C(C)=O)C2)c1 284600907 BPTBRVMIRNZDAQ-KRWDZBQOSA-N 320.389 0.727 0 50 DCAA O=C(NC[C@@H]1CCCC[C@H]1O)c1cn(C2CCNCC2)nn1 262309456 PMTHKGPGHDMIAF-SMDDNHRTSA-N 307.398 0.484 0 50 DCAA NC[C@H]1CC[C@@H](C(=O)N2CCc3[nH]nc(C(F)(F)F)c3C2)O1 374599672 GIPMAOBWOIKOKA-XCBNKYQSSA-N 318.299 0.820 0 50 DCAA CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)CCc1ccnn1C 219512005 QPGXMTNALWLDEO-HUUCEWRRSA-N 324.425 0.205 0 50 DCAA Cn1ncnc1[C@@H]1COCCN1C(=O)c1n[nH]c2c1CCCC2 375312805 ICQPQSHBLRDHBX-LBPRGKRZSA-N 316.365 0.631 0 50 DCAA CS(=O)(=O)NC1CCN(C(=O)CCc2cccnc2)CC1 78351951 AFWWMOJBZUGHAU-UHFFFAOYSA-N 311.407 0.554 0 50 DCAA CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)NCCc1cc2ccccc2[nH]1 377058862 XYXLTJPKGNCGAN-GOEBONIOSA-N 315.373 0.808 0 50 DCAA 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NMEHYSPHVPZJFO-OCCSQVGLSA-N 314.345 0.506 0 50 DCAA COc1cccc(CCNC(=O)CNC(=O)N(C)C)c1OC 299791977 DCOJZQOJVWFWQV-UHFFFAOYSA-N 309.366 0.634 0 50 DCAA NCCCOc1ccc(F)cc1C(=O)N1CCOC[C@@H]1CO 299784718 ILYNZFKOXIGGKM-LBPRGKRZSA-N 312.341 0.387 0 50 DCAA CN(C)[C@H]1CN(C(=O)c2ccc(OCCCN)cc2)C[C@@H]1O 299771248 XIVPDACFMACJEN-GJZGRUSLSA-N 307.394 0.161 0 50 DCAA COCC1CCN(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)CC1 824372050 DBMZOHIVYOBFNA-CQSZACIVSA-N 319.471 0.616 0 50 DCAA CN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)CCn1cnnn1 583652716 SCMKJFYOBCIIAO-KGLIPLIRSA-N 306.414 0.786 0 50 DCAA biogenic COCCn1cnnc1[C@H](C)NC(=O)c1ccc(N(C)C)nc1 670466081 FDQBXMWGCFARQE-NSHDSACASA-N 318.381 0.877 0 50 DCAA CN(CC1=CCCOC1)C(=O)[C@@H]1CC[C@@H](C(=O)O)N1C1CC1 630666039 OCBAFLVFZYQSJI-KBPBESRZSA-N 308.378 0.872 0 50 DCAA C=CC(=O)N1CCC(C(=O)N[C@@]2(CC(=O)OC)CCOC2)CC1 1875365297 ISZKKBHVKRIDLV-MRXNPFEDSA-N 324.377 0.249 0 50 DCAA C[C@@H]1CCN(S(=O)(=O)c2cnc3[nH]cncc2-3)C[C@H]1CN 1875349649 HODADADIYPDZNY-NXEZZACHSA-N 309.395 0.515 0 50 DCAA CCn1nncc1CNC(=O)c1c2c(nn1C)[C@H](C)O[C@H](C)C2 1875314305 QYNYCKAZKDJAGJ-ZJUUUORDSA-N 318.381 0.984 0 50 DCAA CCc1nn(C)cc1CN1CC[C@@H]2OCCN(C(C)=O)[C@H]2C1 952853086 DDEZAXFGEMGMRN-HOTGVXAUSA-N 306.410 0.804 0 50 DCAA C[C@@H]1CN(C(=O)c2[nH]nc3c2COC3(C)C)CCN1CCO 1875280632 FIXZLWMTFZYFOZ-SNVBAGLBSA-N 308.382 0.314 0 50 DCAA NC(=O)CN1CCC[C@@H](C(=O)NC2(CO)CCCCCC2)C1 952973718 PBWHNRDERAWLIC-CYBMUJFWSA-N 311.426 0.385 0 50 DCAA C[C@H](c1nccs1)N(C)C(=O)[C@@H]1CCCN(CC(N)=O)C1 952963550 KSIQHAUJERPINB-GHMZBOCLSA-N 310.423 0.860 0 50 DCAA CN1CCO[C@@H](CN[C@H]2CCn3ccnc32)[C@@H]1c1ccnn1C 886085609 VPCLVKXOGYFWEH-QEJZJMRPSA-N 316.409 0.723 0 50 DCAA CN1CCN(c2ncnc3c2cnn3C(C)(C)C)C[C@H]1CO 894884525 HIOPFICBJCKCQV-NSHDSACASA-N 304.398 0.694 0 50 DCAA Cn1nnc2c(S(=O)(=O)N[C@H]3C[C@H]4OCC[C@@H]34)cccc21 1565510325 PEPDKKVTRRUWEZ-ATZCPNFKSA-N 308.363 0.424 0 50 DCAA O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)[C@H]1C[C@@H](O)CN1 276703842 XGVXQWDQKDSOCF-NILFDRSVSA-N 307.369 0.491 0 50 DCAA Cn1cnnc1[C@H]1CN(C(=O)[C@@H]2COc3ccccc32)CCO1 583621799 SYKGXSFRBDBJKZ-TZMCWYRMSA-N 314.345 0.891 0 50 DCAA O=C(O)c1ccc(N2CCC(O)(CN3CCCC3)CC2)nn1 1506395840 JDQLBXCTUZHDSF-UHFFFAOYSA-N 306.366 0.602 0 50 DCAA CC(C)Cc1cc(C(=O)N2CCN3C(=O)OC[C@@H]3C2)nc(N)n1 1506413346 QZFUMMGTCMBQDB-NSHDSACASA-N 319.365 0.534 0 50 DCAA O=C([C@H]1CCCO1)N1CCN(C(=S)NCc2ccco2)CC1 611977 JPLXCHGHZCVLQN-CYBMUJFWSA-N 323.418 0.977 0 50 DCAA Cc1nnnn1CC(=O)N1C[C@H]2CC[C@@H](C1)N(CC1CC1)C2 219612884 HXQBUNQMCFFEIV-KBPBESRZSA-N 304.398 0.314 0 50 DCAA COC[C@]1(C(=O)O)CCCN1C(=O)CNC(=O)C(C)(C)C 643847416 GPQLEPLTNQIIGY-AWEZNQCLSA-N 300.355 0.241 0 50 DCAA CCn1ccnc1C(=O)Nc1ccc(N2CCNC(=O)C2)cn1 1615610167 BXKSIQMHKGYINL-UHFFFAOYSA-N 314.349 0.487 0 50 DCAA Cc1nnc2n1C[C@@H](CNC(=O)c1ccc3c(c1)OCO3)C2 1772704278 QBCVYPAMAJNZME-SNVBAGLBSA-N 300.318 0.918 0 50 DCAA COCCOCCN1C[C@@H]2CN(CC(C)C)C[C@]2(CO)C1 1772815249 MXPMVZCELGJMLB-CVEARBPZSA-N 300.443 0.532 0 50 DCAA NC(=O)[C@H]1CCCN(CCCn2cnc3cc[nH]c3c2=O)C1 1857698547 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DCAA Cn1cc(C(=O)N2CCCC[C@H]2c2nccs2)c(=O)[nH]c1=O 215419331 FFZVVWPECMYWOU-JTQLQIEISA-N 320.374 0.898 0 50 DCAA CN(C[C@@H]1Cc2ccccc2O1)C(=O)c1cn(C)c(=O)[nH]c1=O 215885584 GSBMTJRBLOSMMZ-NSHDSACASA-N 315.329 0.149 0 50 DCAA CN(C)c1nc(N)nc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)n1 222088634 JULNLXXPQISSIH-IONNQARKSA-N 320.319 0.407 0 50 DCAA CC(C)[C@H](NC(=O)CCN1CCN(C)CC1)c1nccn1C 222379036 GQYSJGWHDCSELW-HNNXBMFYSA-N 307.442 0.871 0 50 DCAA CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1n[nH]nc1C)C2 222561133 WETDJPHZOMSTFJ-GFCCVEGCSA-N 304.354 0.799 0 50 DCAA Cc1ccc(O[C@H]2COCC[C@H]2NC(=O)Cn2ccnn2)cn1 223376654 PXEYFAABVPLIKU-KGLIPLIRSA-N 317.349 0.334 0 50 DCAA CC(C)N1CCO[C@@H](C(=O)N2CCC(N3CCCC3=O)CC2)C1 225706099 OUZJBNZSJQNHDK-OAHLLOKOSA-N 323.437 0.709 0 50 DCAA NC(=O)[C@@H](c1ccccc1)N1CCO[C@@H](Cn2cncn2)C1 229803184 NNDSEDFROSCVEB-ZIAGYGMSSA-N 301.350 0.206 0 50 DCAA Cc1nc(CCCNC(=O)CCNS(C)(=O)=O)sc1C 252508537 XORQDLKBXXPDOI-UHFFFAOYSA-N 319.452 0.748 0 50 DCAA C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)N1CCOC[C@H]1C 257365506 GJMNGNZVQPOBDA-YNEHKIRRSA-N 303.428 0.120 0 50 DCAA O=C(O)C[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCO3)CCO1 262445784 PCUOPFYVCMKHIB-CYBMUJFWSA-N 305.330 0.866 0 50 DCAA O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cn1ccc(O)nc1=O 268943636 MWFGUQYOBARXOR-VWYCJHECSA-N 321.333 0.193 0 50 DCAA C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)C[C@@H]1NC(=O)NC1=O 271566763 OCQCCXLWCBYNKE-KCJUWKMLSA-N 321.308 0.501 0 50 DCAA Cn1ccc(CN[C@@H]2CCCN(c3nccn(C)c3=O)C2)c1 275639751 SXXCHOTZJQNDOV-CQSZACIVSA-N 301.394 0.877 0 50 DCAA CC(C)n1ccc(C(=O)N2CCC[C@](O)(Cn3ccnn3)C2)n1 284510417 DTDMJACFMXATQQ-OAHLLOKOSA-N 318.381 0.723 0 50 DCAA COc1ccc(CC(=O)N2CC[C@](O)(c3c[nH]nn3)C2)cc1F 284584408 ITMQLRIAGJIREN-OAHLLOKOSA-N 320.324 0.615 0 50 DCAA COCCn1ccc(C(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)n1 285301786 SEEBFVLPQBREKE-STQMWFEESA-N 310.398 0.321 0 50 DCAA COCC(=O)NCc1cc2n(n1)CCN(c1nccnc1C)C2 299755255 DNVBSGUMQPCPPP-UHFFFAOYSA-N 316.365 0.264 0 50 DCAA 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0.674 0 50 DCAA O=C(CCc1nn[nH]n1)N1CCOC[C@@H]1CC1CCOCC1 890807129 FLHADFDTPYNDSC-LBPRGKRZSA-N 309.370 0.176 0 50 DCAA CCN1CCNC(=O)[C@@H]1CC(=O)Nc1c2c(nn1C)CSC2 1529169001 PSPKYOBNVNIGNG-NSHDSACASA-N 323.422 0.316 0 50 DCAA Cn1nc(CC(=O)N2CCc3nc[nH]c3C2)c2ccccc2c1=O 1775965363 OCAOAROCZNWKMQ-UHFFFAOYSA-N 323.356 0.784 0 50 DCAA Cc1cc(CC(=O)N2CC[C@@]3(CNC(=O)CO3)C2)cc(C)n1 1775976518 AUAJUIPCTGMDNU-MRXNPFEDSA-N 303.362 0.358 0 50 DCAA Nn1c(SC[C@@H]2OCCNC2=O)nnc1-c1ccccc1F 1775991026 CDOZEDSZPBKRKX-JTQLQIEISA-N 323.353 0.405 0 50 DCAA C[C@@H]1c2ccccc2C[C@@H]1NC(=O)c1cnn(C[C@H](O)CO)c1 1857529380 FOTNTQWTKFFFNT-WPGHFRTFSA-N 315.373 0.695 0 50 DCAA COCCn1nnc([C@H]2CN(c3nnc(C)s3)CCO2)n1 1857716603 BVCOYROMPPELKF-SECBINFHSA-N 311.371 0.057 0 50 DCAA O=C(NCc1nc(-c2cnccn2)n[nH]1)[C@H]1CCn2nccc2C1 1857738574 OGUBFKUIXUQQPH-JTQLQIEISA-N 324.348 0.337 0 50 DCAA Cc1cc(C)n2nc(C(=O)NC[C@H]3CCC(=O)N3C)nc2n1 1875306673 BQNQYIGTCVCZPI-SNVBAGLBSA-N 302.338 0.092 0 50 DCAA COC(=O)/C=C/CNC(=O)CNC(=O)COc1ccccc1 1875333252 KYUJKWYTEAMKEX-VMPITWQZSA-N 306.318 0.027 0 50 DCAA C=CC(=O)N(C)CC(=O)NC[C@@H]1CC(=O)Nc2ccccc21 1875366230 SKULIXFPPOXVGE-NSHDSACASA-N 301.346 0.873 0 50 DCAA Cn1c(O)nnc1[C@@H]1[C@@H](C2CC2)CCN1c1cnc(CO)cn1 1875399659 GQHIMSHSCBFJLA-YPMHNXCESA-N 316.365 0.781 0 50 DCAA CNC(=O)CCNC(=O)CSc1nc2ccccc2n1C 2325722049 LLBKDQOWSWTZGK-UHFFFAOYSA-N 306.391 0.918 0 50 DCAA O[C@H]1CCN(c2ccnc(N3CCOCC3)n2)CCC1(F)F 2325767453 XDTUVFOYDDTBOY-NSHDSACASA-N 314.336 0.910 0 50 DCAA COC(=O)c1ccc(CN2CCO[C@H](c3nnn(C)n3)C2)s1 2356165181 XISUEIYMYOEKAQ-JTQLQIEISA-N 323.378 0.632 0 50 DCAA COC(=O)CCCC(=O)N1CC[C@](O)(c2ccccc2)[C@@H](O)C1 2356169585 DJDLCNOLILXTDS-YOEHRIQHSA-N 321.373 0.811 0 50 DCAA CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnn(C)c2)C1 2803935 RHTYVJYAVHFCDW-SNVBAGLBSA-N 301.368 0.384 0 50 DCAA COc1ccc(NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 3268562 HPULWQDUYJRIPB-NSHDSACASA-N 305.377 0.624 0 50 DCAA CC(C)(C)NC[C@H](O)COc1cccc2c1C[C@H](O)[C@H](O)C2 3831165 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309.345 0.365 0 50 DCAA CCN(CC(=O)NC)C(=O)c1ccc2c(c1)NC(=O)CN2C 2325883498 HAJJNCVFBLLUJP-UHFFFAOYSA-N 304.350 0.283 0 50 DCAA Cn1ccnc1-c1ccc(N2C[C@H]3COC[C@@]3(CO)C2)nn1 2356169437 BRMXPGHHJMVZRE-NHYWBVRUSA-N 301.350 0.322 0 50 DCAA Cc1nc(CC(=O)N2CCN(S(C)(=O)=O)CC2)c(C)s1 178355691 ZWKHTZDVDWMCOY-UHFFFAOYSA-N 317.436 0.406 0 50 DCAA CN1CCN(C(=O)CN2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)CC1 318764175 LOHPRODKBKDVJV-OAGGEKHMSA-N 309.454 0.776 0 50 DCAA Cc1ccc2nc(CNC(=O)CC[C@@H]3NC(=O)NC3=O)cn2c1 60403709 MDRBNTIBUIAKKL-NSHDSACASA-N 315.333 0.247 0 50 DCAA COCCO[C@@H]1COCC[C@H]1NC(=O)N1CCCO[C@@H](C)C1 332982797 PVSGSRRWHIHZER-BFHYXJOUSA-N 316.398 0.627 0 50 DCAA Cc1cc(N2CC[C@@H](N3C(=O)[C@@H]4CCCN4C3=O)C2=O)n(C)n1 253393892 DEDBHFIVKHUMBN-WDEREUQCSA-N 317.349 0.260 0 50 DCAA CCN1CCN(C(=O)C2=NN(C)C(=O)CC2)C[C@H]1c1ncc[nH]1 328621972 IDFDTBJSNQEYFF-LBPRGKRZSA-N 318.381 0.223 0 50 DCAA Cc1cc(CC(=O)N2CCO[C@H](CN(C)CC3CC3)C2)n[nH]1 328639075 PKIMXKIVHBIAIO-OAHLLOKOSA-N 306.410 0.830 0 50 DCAA 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312.333 0.186 0 50 DCAA O=C1COc2ccc(NC(=O)[C@@H]3NCC34CCOCC4)cc2N1 852782554 VKECIVWBDUHJPT-AWEZNQCLSA-N 317.345 0.725 0 50 DCAA CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2CN)cc1 156112865 BZAAVLPFCIGYBW-SNVBAGLBSA-N 318.420 0.202 0 50 DCAA CNS(=O)(=O)C[C@H]1CCCN1C[C@@](C)(O)C(F)(F)F 407959244 TZDFCPIBHLIQCY-RKDXNWHRSA-N 304.334 0.313 0 50 DCAA CC1(C)[C@H]2C[C@H](C(=O)NS(=O)(=O)CCn3ccnn3)C[C@H]21 2325777545 JXCJKPRKYJXVAG-RTCCRHLQSA-N 312.395 0.406 0 50 DCAA COc1cccc(OCC(=O)N2C[C@H]3COC[C@@]3(CO)C2)c1 2356148668 LOCTYJBUBICJOX-LRDDRELGSA-N 307.346 0.541 0 50 DCAA O=C(CCC(=O)NC1CCCCCC1)NCCCc1nnn[nH]1 55340871 UESZNNJHKSZFIP-UHFFFAOYSA-N 322.413 0.868 0 50 DCAA Cn1nc([C@H]2CCCN(C(=O)CN)C2)n(-c2ccccc2)c1=O 67560260 PROGIKFPAJXCPJ-LBPRGKRZSA-N 315.377 0.236 0 50 DCAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1n[nH]c2c1CCC2 67868609 AACSYQSZXWUGKD-GWCFXTLKSA-N 319.409 0.309 0 50 DCAA CSCC[C@@H](CO)NC(=O)NCC[S@](=O)C(C)(C)C 141175483 MXMVEPVVPUICBH-APBUJDDRSA-N 310.485 0.947 0 50 DCAA C[C@H]1CN(C[C@@H](O)Cn2cccn2)CCN1c1nccs1 229803308 RYNPKSKGADQNJQ-QWHCGFSZSA-N 307.423 0.911 0 50 DCAA NC(=O)c1cccnc1N1CCN(c2ncnc3[nH]ncc23)CC1 301136919 AWUBKCBIXCDBIJ-UHFFFAOYSA-N 324.348 0.173 0 50 DCAA O=C(Cn1cccn1)NCC1CCN(CCn2cnnc2)CC1 1506428669 PVTBDBBZHAJMPD-UHFFFAOYSA-N 317.397 0.003 0 50 DCAA COC[C@@H]1CCCN(S(=O)(=O)NCc2cc(C)no2)C1 1506421457 GLWKNDKZYUPJHQ-LLVKDONJSA-N 303.384 0.676 0 50 DCAA COC(=O)CCN(C)S(=O)(=O)N1CC[C@H](C)C[C@H]1[C@H](C)O 252514303 BXRKHINAZISOHO-SRVKXCTJSA-N 322.427 0.207 0 50 DCAA CN1CC[C@H](NS(=O)(=O)N2CCC[C@H]2c2ccco2)C1=O 252671820 OJEXERYTHMIPRI-QWRGUYRKSA-N 313.379 0.482 0 50 DCAA CN(CC1CC1)C[C@@H]1CN(C(=O)[C@H]2CCN=C(O)C2)CCO1 328634720 MYNKZFVQWAHTEB-UONOGXRCSA-N 309.410 0.922 0 50 DCAA CN(C)CCN1C[C@@H](C(=O)N(C)Cc2nccs2)CC1=O 74524836 JNAZLTFYAWOJOT-NSHDSACASA-N 310.423 0.512 0 50 DCAA COCCCS(=O)(=O)N1CCN(C[C@@H]2CCCOC2)CC1 330649612 HDDBQIMXRXIWKC-AWEZNQCLSA-N 320.455 0.397 0 50 DCAA C[C@H]1CN(Cc2nnc3n2CCCC3)CCN1S(C)(=O)=O 364942642 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Cn1cc([C@@H](NC(=O)Cc2ccccn2)[C@H]2C[C@@H](O)C2)cn1 222998058 ONAROOPTLLNMHW-PJODQICGSA-N 300.362 0.986 0 50 DCAA Nc1cncc(-c2ccc(C(=O)NC[C@]3(O)CCNC3)cc2)c1 426711508 UVLQIYOBFSCFPH-KRWDZBQOSA-N 312.373 0.785 0 50 DCAA C[C@@H]1O[C@H](Nc2ccc(OC(F)(F)F)cc2)[C@H](O)[C@H](O)[C@H]1O 239309883 HWRAWYGCOWASEC-UOAXWKJLSA-N 323.267 0.825 0 50 DCAA CC[C@H](C)[C@@H](CO)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O 230202762 IDBVGXPJOLAWAL-GXFFZTMASA-N 319.361 0.213 0 50 DCAA biogenic Cc1cc(C)n(CCNC(=O)COC[C@@H]2CCCCO2)c(=O)n1 240825148 QNJSMPUAKIZDPT-AWEZNQCLSA-N 323.393 0.562 0 50 DCAA O=C(Cn1ncnn1)NCc1ccc(C(=O)N2CCCC2)cc1 299785724 LKRKJUPRIRJWOS-UHFFFAOYSA-N 314.349 0.226 0 50 DCAA CNC(=O)Cc1cccc(NC(=O)N[C@@H]2C[C@@H](CO)N(C)C2)c1 299787034 OWMURBDDYCMWCR-KGLIPLIRSA-N 320.393 0.162 0 50 DCAA C[C@@H](Cc1nc(CC(N)=O)nn1CC(C)(C)O)n1cccn1 826842155 MEPIUDVDLKOMTR-JTQLQIEISA-N 306.370 0.077 0 50 DCAA Cc1ccc(CS(=O)(=O)N2CC[C@H](N(C)C)[C@@H](O)C2)cc1 823730086 KDVRWNTVBACDOB-GJZGRUSLSA-N 312.435 0.822 0 50 DCAA CC(C)N(C)S(=O)(=O)N(C)CCCCN1CCOCC1 670448395 FFGYHHJRKWCPEP-UHFFFAOYSA-N 307.460 0.616 0 50 DCAA CCn1cc(Cl)cc1C(=O)NS(=O)(=O)N1CCOCC1 1875284460 VEMPLXQZDRHLHN-UHFFFAOYSA-N 321.786 0.468 0 50 DCAA CN(C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CC(=O)N3CCCC[C@@H]23)C1 888093960 OMXVJHHIOHOAQY-RQJABVFESA-N 308.426 0.779 0 50 DCAA Cc1[nH]ccc1C(=O)N1C[C@@H](CC(=O)O)[C@@H](c2cn(C)nn2)C1 1565506308 UHIWOGUPMCMXRK-PWSUYJOCSA-N 317.349 0.782 0 50 DCAA NC(=O)[C@H]1CC=CC[C@@H]1Nc1cncc(C(=O)N2CCCC2)n1 1565516301 FBCGBYCTUBLHMP-RYUDHWBXSA-N 315.377 0.945 0 50 DCAA CN(CC1CC1)C[C@H]1CN(C(=O)NC[C@@H]2CCCO2)CCO1 583623266 RURULOMSABCTRM-GJZGRUSLSA-N 311.426 0.918 0 50 DCAA C[C@@H]1CN(C(=O)[C@H]2CCN2C(=O)OC(C)(C)C)C[C@H]1C(N)=O 408516379 RJTKKGVTSSMZMQ-GMTAPVOTSA-N 311.382 0.576 0 50 DCAA CN(C)C(=O)C[C@]1(O)CCCN(c2ncnc3[nH]cnc23)C1 643719637 FTOXHXQMNAIPOY-CQSZACIVSA-N 304.354 0.163 0 50 DCAA COc1cccc(CCNC(=O)CN2CCCC[C@H](O)C2=O)c1 644312836 XSNWZBHEFFZZFT-HNNXBMFYSA-N 320.389 0.727 0 50 DCAA O=C(CN1CCCC[C@H](O)C1=O)NC1Cc2ccccc2C1 644428004 HPPPCGCGCZHHBL-HNNXBMFYSA-N 302.374 0.643 0 50 DCAA CO[C@@H]1CN(S(=O)(=O)C2CCCCC2)C[C@H]1c1cnn[nH]1 657145048 ZNFMXHJJHQYYOP-WCQYABFASA-N 314.411 0.881 0 50 DCAA NS(=O)(=O)C1(C(=O)NCC[C@@H]2C(=O)Nc3ccccc32)CC1 573496242 QFFVNYVLLKGOFK-JTQLQIEISA-N 323.374 0.050 0 50 DCAA O=C(CCn1cccn1)N1C[C@@H](O)[C@H](Cc2ccccn2)C1 1529144127 MXVXYOYWANRDFT-UKRRQHHQSA-N 300.362 0.730 0 50 DCAA Cc1cc(C[C@@H]2CN(C(=O)c3ccc(=O)n(C)c3)C[C@H]2O)on1 1704338953 ARYFGYLLJJVTFL-TZMCWYRMSA-N 317.345 0.357 0 50 DCAA COC[C@H](C)S(=O)(=O)NC(=O)c1cncc(N(C)C)c1 1615058984 YKKHASVKWGAJSC-VIFPVBQESA-N 301.368 0.242 0 50 DCAA Cn1nc(C(=O)O)nc1N1CCN(c2ccc(F)cc2)CC1 1857674289 BUCMUWJKHYGYSY-UHFFFAOYSA-N 305.313 0.979 0 50 DCAA O=C(O)c1n[nH]c2c1CN(C(=O)COC[C@H]1CCCCO1)CC2 1857711105 HKFIYXGBIOACIC-SNVBAGLBSA-N 323.349 0.578 0 50 DCAA C[C@@H]1CCCCN1C(=O)N1CC[C@@H](n2cc(C(N)=O)nn2)C1 655609283 NEWBQYREKDZFOP-GHMZBOCLSA-N 306.370 0.618 0 50 DCAA COCCN1CN(C(=O)NCc2nc(C)c(C)s2)CC1=O 252482765 DNHXNVIBZSQQDE-UHFFFAOYSA-N 312.395 0.718 0 50 DCAA NS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@@H](C3CC3)C2)cc1 375327631 KELCABCIGLSLME-CQSZACIVSA-N 324.402 0.726 0 50 DCAA CCc1nc(C)cc(N2C[C@H]3COC[C@@H](C2)CN3CC(=O)O)n1 1704307505 IEACJFYQOCAICP-OLZOCXBDSA-N 320.393 0.569 0 50 DCAA NC(=O)c1cc(OC2CCN(C[C@@H]3COCCO3)CC2)ccn1 826853679 VSFAULZFPZVMCM-CQSZACIVSA-N 321.377 0.439 0 50 DCAA CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@@]12CO2 5767479 IRXDUBNENLKYTC-OGDJNORSSA-N 324.373 0.554 0 50 DCAA in-vitro Cc1ccn2c(C(=O)Nc3cccc4nn(C)nc34)nnc2n1 2100473723 VLHOHAANDAVAIY-UHFFFAOYSA-N 308.305 0.967 0 50 DCAA CN=c1[nH]cc(C(=O)NCCc2nccc(C(=O)O)n2)s1 2325865286 VVUIEMNDHWULLG-UHFFFAOYSA-N 307.335 0.067 0 50 DCAA CC(C)(C)NC(=O)CCN(N)C1=NS(=O)(=O)c2ccccc21 3671133 GGBGKPSCTBHJSK-UHFFFAOYSA-N 324.406 0.616 0 50 DCAA C[C@H]1CN(S(=O)(=O)c2csc(C(N)=O)c2)C[C@H](C)O1 6681513 GHMXUTUVGJKHOM-YUMQZZPRSA-N 304.393 0.645 0 50 DCAA CS(=O)(=O)N1C[C@@H](C(=O)N2CCCC2)Oc2ccccc21 32497790 ZNOOOXUEPLEADF-ZDUSSCGKSA-N 310.375 0.836 0 50 DCAA Cc1ccc2c(c1)c(CNC(=O)c1cn(CCN)nn1)nn2C 71736001 JDNBHXPHTUMGLE-UHFFFAOYSA-N 313.365 0.362 0 50 DCAA O[C@@]1(CN2CCC(Oc3cccnc3)CC2)CNCCOC1 77338213 JHUDQUBQCDNQGO-MRXNPFEDSA-N 307.394 0.276 0 50 DCAA CN(Cc1cccnc1Cl)C(=O)C[C@H]1C(=O)N(C)C(=O)N1C 91746614 WKGLYAPUJPVBLG-JTQLQIEISA-N 324.768 0.976 0 50 DCAA O=C(c1cccc(-c2nc[nH]n2)c1)N1CCN(CCO)CC1 97600923 FGUYMECWZZWOLO-UHFFFAOYSA-N 301.350 0.222 0 50 DCAA CCOC(=O)CS(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1 97743323 IGXXGOLIRLUANO-UHFFFAOYSA-N 307.368 0.584 0 50 DCAA COCc1ccc(C(=O)NCCN(C)S(C)(=O)=O)s1 97744664 LWGPOOKOOXNFCA-UHFFFAOYSA-N 306.409 0.516 0 50 DCAA Cc1csc(CCCNC(=O)[C@@H](C)NS(C)(=O)=O)n1 102483649 DYFCUANBDJDXJB-SECBINFHSA-N 305.425 0.438 0 50 DCAA O=C(O)c1ncsc1S(=O)(=O)NC[C@@H]1CCCC[C@H]1O 134716903 OWNUINLIWACQSN-JGVFFNPUSA-N 320.392 0.671 0 50 DCAA CN1CCC(NC(=O)N2CCN(c3cccnn3)CC2)CC1 171003269 ATISERSZPGOCNN-UHFFFAOYSA-N 304.398 0.402 0 50 DCAA O=C(c1cnc(O)cn1)N1CCC(O)(CN2CCCC2)CC1 223306605 DAHYXCXISSUZDM-UHFFFAOYSA-N 306.366 0.245 0 50 DCAA NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)NCC(F)(F)F 229316587 OUNLBXISZQNYNT-GUBZILKMSA-N 307.316 0.783 0 50 DCAA CCN1CCN(C(=O)[C@H]2CCc3nn(C)c(=O)n3C2)CC1(C)C 230511434 QOYYZKQBCDHEFW-LBPRGKRZSA-N 321.425 0.087 0 50 DCAA O=C(N[C@@H]1CCN(c2ccccc2Cl)C1=O)[C@@H]1CNCCO1 237906139 UHZWQLMZJSWGSV-YPMHNXCESA-N 323.780 0.550 0 50 DCAA Cn1ccnc1[C@H]1CNCCN1C(=O)c1cccc(C(N)=O)c1 261824952 YHTQGVKMLUNNTH-CYBMUJFWSA-N 313.361 0.306 0 50 DCAA O=C(CN1CCC[C@H]1C(=O)O)NC[C@@H]1Cc2ccccc2O1 262681142 WBOUHHQIXXNAJW-STQMWFEESA-N 304.346 0.655 0 50 DCAA C[C@H]1Oc2c(cccc2C(=O)N2CCO[C@H](C(=O)O)C2)NC1=O 262974342 MDJHDMSMHVXBNU-KCJUWKMLSA-N 320.301 0.332 0 50 DCAA Cc1ccnc(N[C@H]2CCCN(c3nccn(C)c3=O)C2)n1 275572052 IWCQCYKMWUZBME-LBPRGKRZSA-N 300.366 0.960 0 50 DCAA CNC(=O)c1ccn([C@@H]2CCCN([C@H]3CCN(C)C3=O)C2)n1 275946698 LRDWETCCTBNEPK-YPMHNXCESA-N 305.382 0.110 0 50 DCAA CCNC(=O)[C@H]1CC[C@@](C)(C(=O)NCCn2cnnn2)C1(C)C 299778165 MCVRRTJOYUKPMQ-ABAIWWIYSA-N 322.413 0.368 0 50 DCAA CCCn1cnnc1CN(C)C(=O)CCc1ccc(=O)[nH]n1 299781507 HXHVTMHJHKZLQS-UHFFFAOYSA-N 304.354 0.363 0 50 DCAA CCc1noc([C@H]2C[C@H](O)CN2S(=O)(=O)CCC2CC2)n1 328629866 PGAMHSWQJGMIOG-WDEREUQCSA-N 315.395 0.870 0 50 DCAA Cn1ncnc1[C@H]1COCCN1C(=O)Cc1cccc(O)c1 329133476 ZAPJVBXWTVYPTQ-CYBMUJFWSA-N 302.334 0.663 0 50 DCAA O=C(CC1CCCC1)NCC(=O)N1C[C@@H]2C[C@H]3C[C@H]2[C@H]1[C@H]3O 332676163 CJVGNYAZAZKJIT-PMUIAIRXSA-N 306.406 0.911 0 50 DCAA O=C(O)[C@@H]1CN(C(=O)CCS(=O)(=O)C2CCCC2)CCO1 583650551 HWUGLMLZYMCFSU-NSHDSACASA-N 319.379 0.046 0 50 DCAA C[C@@H](C(=O)Nc1nccs1)N1CCN(c2nc[nH]n2)CC1 639733017 KGCXYRJHKJVYQX-VIFPVBQESA-N 307.383 0.410 0 50 DCAA CN(C)c1ccc([C@H]2CCCN2C(=O)c2cnnn2C)nn1 643887739 XUDIDTKOZGBGRZ-LLVKDONJSA-N 301.354 0.648 0 50 DCAA CNC(=O)C[C@@]1(O)CCCN(C(=O)c2cccc3[nH]ncc23)C1 644044799 SOTKHCLWDDQYHH-INIZCTEOSA-N 316.361 0.666 0 50 DCAA 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Cc1nc(C2CCN(C(=O)CN)CC2)cc(N2CCOCC2)n1 72427260 BQMWHGGMUQCJHT-UHFFFAOYSA-N 319.409 0.286 0 50 DCAA Cc1cnccc1N1CCCN(C(=O)C[C@@H]2CNCCO2)CC1 91893596 PBUZMQULNFQGJP-OAHLLOKOSA-N 318.421 0.807 0 50 DCAA COC[C@H](C)NC(=O)NC(=O)CN1CCN(C)c2ccccc21 111303094 ZRSRUECZLQSUAY-LBPRGKRZSA-N 320.393 0.804 0 50 DCAA CC(C)N1CCO[C@@H](CN2CCN(CCn3ccnc3)CC2)C1 131165017 KYXWOZPLGSZITL-KRWDZBQOSA-N 321.469 0.610 0 50 DCAA CN1CCO[C@@H](C(=O)Nc2ccc([S@](C)=O)c(F)c2)C1 170591192 ATHNXGZAMGIPRW-GIPWTMENSA-N 300.355 0.832 0 50 DCAA CCn1c(=O)[nH]c2cc(C(=O)N(C)[C@H]3CCNC3)ccc2c1=O 179059164 KNOGYKIKISXPLU-NSHDSACASA-N 316.361 0.144 0 50 DCAA CCc1nn(C)c(OC)c1CNC(=O)N1CCNC(=O)[C@H]1C 179711953 VPDZCHUIAPNGTC-SECBINFHSA-N 309.370 0.021 0 50 DCAA CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCCCO2)CC1=O 189543746 GFTQCWCADGIKDP-ZIAGYGMSSA-N 309.410 0.873 0 50 DCAA CN(C)C(=O)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 192873818 XZTSYRNKOHBBHG-AWEZNQCLSA-N 317.389 0.886 0 50 DCAA O=C(C[C@@H]1CNCCO1)N1CCN(c2cccc(O)c2)CC1 215561568 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NC(=O)[C@@H]1CCCN1C1CCN(C(=O)C2(O)CCCC2)CC1 363643670 SRAWNUGAGRLYCI-ZDUSSCGKSA-N 309.410 0.232 0 50 DCAA NS(=O)(=O)Cc1ccc(C(=O)N2CCO[C@H](C3CC3)C2)cc1 375327624 KELCABCIGLSLME-AWEZNQCLSA-N 324.402 0.726 0 50 DCAA Cc1[nH]ccc1C(=O)N1CCO[C@@H](CN2CCN(C)CC2)C1 375886749 ZCFGSMRKMIRZDK-AWEZNQCLSA-N 306.410 0.412 0 50 DCAA CCS(=O)(=O)N1CCC(C(=O)N[C@]2(C)CCOC2)CC1 407998603 QEGLMAMBZJLRPM-CYBMUJFWSA-N 304.412 0.343 0 50 DCAA CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1onc2c1CCCC2 426382952 BBEADYNIJYPNDT-GHMZBOCLSA-N 314.363 0.095 0 50 DCAA O=C(c1ccnn1CCO)N1CCC(N2CCSCC2)CC1 426544699 HUNKONAROSRFQA-UHFFFAOYSA-N 324.450 0.529 0 50 DCAA CC(=O)NC(C)(C)C(=O)N1CCC[C@H](C(=O)c2nccn2C)C1 426690345 UCMAIAYEKCHOJC-LBPRGKRZSA-N 320.393 0.756 0 50 DCAA CCn1cc(CN[C@H](C)CNS(=O)(=O)C2CC2)c(C)n1 534644794 ICKRCEVCKGNPBG-SNVBAGLBSA-N 300.428 0.771 0 50 DCAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2conc2C)C1 585129954 CTAVWOQPOFZDQV-SNVBAGLBSA-N 301.368 0.983 0 50 DCAA CC(=O)N[C@]1(c2nc(C)no2)CCN(Cc2cnn(C)c2C)C1 643722885 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321.425 0.964 0 50 DCAA O=C1CCCCN1CCCC(=O)N1CCC([C@H](O)CO)CC1 1772707692 UFSYOKHWANOMCL-CQSZACIVSA-N 312.410 0.371 0 50 DCAA O=C(O)[C@@H]1c2ccccc2OCCN1C(=O)Cn1nccn1 1775961041 QKFLYZCQKDWEMJ-ZDUSSCGKSA-N 302.290 0.325 0 50 DCAA Cc1nccc(NC(=O)N2CCC[C@H](Cc3nn[nH]n3)C2)n1 1775986725 RCPDBAYFYPFJHR-SNVBAGLBSA-N 302.342 0.785 0 50 DCAA Cn1cc(CN2CC[C@@H](NC(=O)C=C3CCC3)C2)c(C(N)=O)n1 1775994778 CDNNCGGCBLMZJJ-CYBMUJFWSA-N 317.393 0.320 0 50 DCAA O=c1cc(CN2CCC[C@@H](c3nnco3)C2)[nH]c2ccnn12 1775996962 OKRCTDBYSYTAOV-SNVBAGLBSA-N 300.322 0.785 0 50 DCAA O=C(O)CCNC(=O)CCCNC(=O)COc1ccsc1 1875303631 GJVVSPCPVUGTOC-UHFFFAOYSA-N 314.363 0.614 0 50 DCAA C[C@H](C(=O)NCCn1cnc2c(N)ncnc21)c1cccnc1 2325758689 CKLCYIHMUSBVIC-JTQLQIEISA-N 311.349 0.723 0 50 DCAA CCc1nc(O)ccc1C(=O)N1CCN(c2nc[nH]n2)CC1 2356139646 VJFDBSJCJZRBBD-UHFFFAOYSA-N 302.338 0.430 0 50 DCAA O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCSC1=O 182433 SIHOMBUNZPZDHE-JTQLQIEISA-N 304.327 0.431 0 50 DCAA Cc1c(C)n(C[C@@H](O)CN(CCO)CCO)c2ccccc12 465789 VIMSLVLTVNXVKT-HNNXBMFYSA-N 306.406 0.906 0 50 DCAA CCN1C[C@H](C(=O)NCCNC(=O)c2ccc(F)cc2)CC1=O 56989099 QNSVMVLPYAZWTJ-GFCCVEGCSA-N 321.352 0.540 0 50 DCAA Cc1cc(=O)[nH]c(SCn2nnc3ccccc3c2=O)n1 8580151 ZRJFOYLYOUJMKB-UHFFFAOYSA-N 301.331 0.933 0 50 DCAA CNC(=O)[C@@H](C)N(c1cc(OC)ccc1OC)S(C)(=O)=O 65362991 JOZDLZRRXLRUMK-SECBINFHSA-N 316.379 0.604 0 50 DCAA Cn1cnc2c(c1=O)CCN(C(=O)c1noc3c1CCCC3)C2 328618959 FHVKRHSGFHVLTO-UHFFFAOYSA-N 314.345 0.846 0 50 DCAA CN(C(=O)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1)[C@H]1CCS(=O)(=O)C1 328889515 QXDIEFSQNFLMCU-JZRPKSSGSA-N 314.407 0.335 0 50 DCAA CN(CCn1cccn1)C(=O)c1ccc2c(=O)n(C)cnc2c1 215056035 VSISADPDZHAGIH-UHFFFAOYSA-N 311.345 0.902 0 50 DCAA Cc1ccc(C2(C(=O)NCCn3ncnn3)CCOCC2)cc1 333205827 BTQXPAOIXKFUTD-UHFFFAOYSA-N 315.377 0.846 0 50 DCAA Cc1nc(N)ncc1C(=O)N1CCN(CC2CC2)[C@H](CCO)C1 218976742 WFHQXRLRUFDJQV-CYBMUJFWSA-N 319.409 0.286 0 50 DCAA CN1CC[C@@](O)(CNS(=O)(=O)c2ccc3c(c2)CCCC3)C1 332132196 JVBMQRFEQWDQEO-MRXNPFEDSA-N 324.446 0.910 0 50 DCAA CC(=O)N1CCN(C(=O)Cn2cnc3c2C[C@@H](C)[C@@H](C)C3)CC1 333740340 VRYIKIAFODKATB-QWHCGFSZSA-N 318.421 0.945 0 50 DCAA Cn1ccc(NC(=O)CN2CCC[C@]3(CC2)CNC(=O)O3)n1 72125468 POHVJFTXPYCWBM-AWEZNQCLSA-N 307.354 0.323 0 50 DCAA CC(C)(C)S(=O)(=O)CC(=O)N[C@@H]1CC(=O)N(C2CC2)C1 155029471 PHILOOJSZQMCFV-SECBINFHSA-N 302.396 0.079 0 50 DCAA CN(CC1(CO)CCOCC1)c1cc(C2CC(O)C2)ncn1 219338478 YPOLPMGWPXRFBQ-UHFFFAOYSA-N 307.394 0.940 0 50 DCAA O=C(CN1CCC[C@H]1C(=O)O)NCCOc1cccc(F)c1 262672230 SCYDWHNQYUHDLK-ZDUSSCGKSA-N 310.325 0.870 0 50 DCAA COc1ccc(CCC(=O)N2CCC[C@@](O)(C(N)=O)C2)cc1F 285534098 NUDMKQOFWYKWCW-INIZCTEOSA-N 324.352 0.606 0 50 DCAA O=C(O)C[C@@H]1COCCN1C(=O)c1cccc(-n2cncn2)c1 263346832 ZINQPKYMPSSAOA-CYBMUJFWSA-N 316.317 0.583 0 50 DCAA CSc1ncc(C(=O)O)c(N[C@@H]2CCS(=O)(=O)C2)n1 149833409 XLHKUMDCQIKIJW-ZCFIWIBFSA-N 303.365 0.496 0 50 DCAA CN(C)C[C@@H]1CN(Cc2cccc(OCC(N)=O)c2)C[C@@H]1CO 91656452 KWPAWDHUIXYUFG-HUUCEWRRSA-N 321.421 0.153 0 50 DCAA CCN1CCC(CC(=O)NCCc2cc(=O)[nH]c(C)n2)CC1 95505733 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0.631 0 50 DCAA CN[C@H](CC(C)(C)C)C(=O)N[C@H](C(=O)OC)[C@@H]1CCOC1 1875278057 VGHDRRHWSDTKJU-UTUOFQBUSA-N 300.399 0.705 0 50 DCAA Cc1noc(C)c1S(=O)(=O)NC(=O)[C@@H]1CC(C)(C)CO1 1875303862 QMLDHXRMTKLCET-VIFPVBQESA-N 302.352 0.911 0 50 DCAA CN(C)CC[C@H]1NC(=O)[C@H](Cc2ccc(F)cc2F)NC1=O 1875319756 QKDVMVFVUDPCGU-OLZOCXBDSA-N 311.332 0.442 0 50 DCAA O=C(N[C@@H]1C[C@H](Cn2cc(Cl)cn2)C[C@H]1O)c1ccnnc1 1875403064 PDXMLFZSTJCEHN-ZWKOPEQDSA-N 321.768 0.896 0 50 DCAA Cn1c(NC(=O)Cc2noc3ccccc23)cc(=O)n(C)c1=O 2100542813 GQIMZTKSCPDHIX-UHFFFAOYSA-N 314.301 0.406 0 50 DCAA O=C(CCn1cnnc1)N1CCC[C@]2(CCc3c[nH]nc32)C1 2356144867 PMEDKDBMYDVNCS-HNNXBMFYSA-N 300.366 0.898 0 50 DCAA O=c1c(CN2CCC[C@@H]2CO)ccc2n1C[C@@H]1CNC[C@H]2C1 2356170316 XUQIWKLCVFXLKW-NWANDNLSSA-N 303.406 0.512 0 50 DCAA COC(=O)c1ccccc1NC(=O)C(=O)NC[C@@H]1CCCO1 2284875 OWWNRLUJMCPCTO-JTQLQIEISA-N 306.318 0.707 0 50 DCAA COc1ccc(C)nc1N1CC[C@H](O)[C@@]2(CCCNC2=O)C1 2356145797 IREWETJMNHIXHO-XJKSGUPXSA-N 305.378 0.866 0 50 DCAA Cn1nnc([C@@H]2CN(C(=O)Cc3cccc(F)c3F)CCO2)n1 2356146028 OKVCWEPZUMHWQG-NSHDSACASA-N 323.303 0.631 0 50 DCAA Cc1nc(C2CCN(C(=O)[C@@H]3CN(C)CC[C@@H]3O)CC2)no1 2356161633 CKIGGGOJVNUIBP-OLZOCXBDSA-N 308.382 0.397 0 50 DCAA O=C(O)[C@H](Cc1c[nH]cn1)N1C(=O)c2ccc(F)cc2C1=O 6493919 AAIQGMJGNONOTG-NSHDSACASA-N 303.249 0.841 0 50 DCAA Cn1ccnc1[C@H](O)CNc1nccc(-c2ncnn2C)n1 23145347 SGYJDQCONBXEET-SNVBAGLBSA-N 300.326 0.151 0 50 DCAA CN1CCCN(CC(=O)NCCSc2ccccn2)CC1 65373522 RXMJRMKNPGEODU-UHFFFAOYSA-N 308.451 0.927 0 50 DCAA Cc1cc(NC(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1C 328595896 JIJUASJYPGRAQP-XHDPSFHLSA-N 306.366 1.505 0 50 DCAA CN(C[C@H]1CCn2ccnc2C1)C(=O)Cn1ccccc1=O 328617635 CYDFZIBIHYELPW-ZDUSSCGKSA-N 300.362 0.766 0 50 DCAA O=C(CCn1ccc(=O)[nH]c1=O)NCCCc1ccncc1 215132455 QDIIQOCSWFHQFZ-UHFFFAOYSA-N 302.334 0.071 0 50 DCAA Cc1ncc2c(c1CNC(=O)CCn1cncn1)CCNC2 72440639 YBFVPLBTMOIDLH-UHFFFAOYSA-N 300.366 0.334 0 50 DCAA O=C(C[C@H]1COCCN1)NCCc1noc(-c2ccccc2)n1 72163533 HVZYZTRZUSOSFU-ZDUSSCGKSA-N 316.361 0.774 0 50 DCAA Cc1ccc(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)c(=O)[nH]1 154141333 ILEITWAMRYVEAM-GFCCVEGCSA-N 315.377 0.816 0 50 DCAA Cc1csc2nc(CNC(=O)[C@H]3NCCc4[nH]cnc43)cn12 72426347 GBHXRLOVEJTPHH-LBPRGKRZSA-N 316.390 0.931 0 50 DCAA Cc1cc2nc(C(=O)N3CC[C@H](CO)[C@@H](O)C3)cc(C)n2n1 72124096 LISIZQZYDNJGJM-YPMHNXCESA-N 304.350 0.161 0 50 DCAA COCCn1ccnc1CN1CCC(NS(C)(=O)=O)CC1 216516080 VDCPWHMWJIXENY-UHFFFAOYSA-N 316.427 0.043 0 50 DCAA N[C@H]1CCN(C(=O)[C@H](c2cccc(F)c2)N2CCOCC2)C1 238062321 CNTVLEFGFAMOKP-GJZGRUSLSA-N 307.369 0.759 0 50 DCAA C[C@H](CN1CCCCC1)NC(=O)NCC1(CO)CCOCC1 157599419 UZDUPWLAMKIJLG-CQSZACIVSA-N 313.442 0.949 0 50 DCAA CO[C@H]1C[C@@H](CO)N(c2cnn(Cc3ccccc3)c(=O)c2)C1 343362039 XTMRALDAQPEBPU-HOTGVXAUSA-N 315.373 0.878 0 50 DCAA Cc1cc(C)n2nc(C(=O)N3CCC[C@](O)(CO)C3)cc2n1 72146367 RXYYGNZFSJWZRI-OAHLLOKOSA-N 304.350 0.306 0 50 DCAA CN1CCC[C@@H](C(=O)NCc2csc(N3CCOCC3)n2)C1 223349801 SNHDFVSKMDHMGO-GFCCVEGCSA-N 324.450 0.938 0 50 DCAA Cc1nc(C)c(CC(=O)NCCn2cc(Cl)cn2)c(=O)[nH]1 220008288 LWRCJSHOCCEMHG-UHFFFAOYSA-N 309.757 0.596 0 50 DCAA CCS(=O)(=O)NCCNC(=O)c1cc(C)c(OC)c(C)c1 179737553 FODCRIKERCNHSX-UHFFFAOYSA-N 314.407 0.981 0 50 DCAA Nc1cncc(-c2ccc(C(=O)N[C@@H]3CCNC[C@H]3O)cc2)c1 426435258 BRWANYPNAOOGHX-HZPDHXFCSA-N 312.373 0.783 0 50 DCAA O=C(NS(=O)(=O)C[C@@H]1CCCO1)[C@H]1CC1(Cl)Cl 180240033 GKZJYWWCRVLXKR-NKWVEPMBSA-N 302.179 0.805 0 50 DCAA CN(C)C[C@@H]1CN(C(=O)COc2ccc(F)cc2)C[C@@H]1CO 92046087 GHMOYAVPCBVISH-CHWSQXEVSA-N 310.369 0.833 0 50 DCAA Cc1nc(C(=O)N2C[C@@H]3CCN(C)C[C@]3(C(=O)O)C2)c(C)o1 91907934 PTCIFDUZTSPULI-NHYWBVRUSA-N 307.350 0.770 0 50 DCAA CNC(=O)c1ccc(C)c(NC(=O)NCCN2CCNC2=O)c1 96133731 MZKMQUAZTQSEMX-UHFFFAOYSA-N 319.365 0.501 0 50 DCAA CN1CCO[C@@H]2CN(C(=O)c3c[nH]nc3-c3ccncc3)C[C@@H]21 299751690 RHZWOZFCQPGGOP-UONOGXRCSA-N 313.361 0.627 0 50 DCAA Cc1nc(N)ncc1C(=O)NCCCOC1CCN(C)CC1 534668894 CGTWXECHWHVXAX-UHFFFAOYSA-N 307.398 0.598 0 50 DCAA COc1cccc2ncn([C@@H]3CS(=O)(=O)C[C@H]3OC)c(=O)c12 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Cc1c(C(=O)NCCCO)sc2nc3n(c(=O)c12)CCC3 4942572 DFPUOBFWRXXXEQ-UHFFFAOYSA-N 307.375 0.825 0 50 DCAA CC1=C(C(=O)NCCCc2csc(N)n2)[C@H](C)NC(=O)N1 67756055 UHGSOKBCRZEWDW-ZETCQYMHSA-N 309.395 0.749 0 50 DCAA CC(C)Cc1ncc2c(n1)CN(C(=O)CNS(C)(=O)=O)C2 67743308 UYDUTOGMOZUGDY-UHFFFAOYSA-N 312.395 0.067 0 50 DCAA CC(C)n1nccc1C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 129479149 CGVLFLZOBGSVOH-UHFFFAOYSA-N 316.365 0.687 0 50 DCAA CCN(CC)Cc1cnc2c(C(=O)N[C@@H]3CCNC3)cnn2c1 71278569 NDDFXKWVYIATCK-CYBMUJFWSA-N 316.409 0.663 0 50 DCAA COC(=O)[C@@H]1CCCN1CC(=O)/N=c1\cc[nH]n1[C@@H](C)C1CC1 229820631 YQSJQFQVQXCKTH-CDNKDTADSA-N 320.393 0.852 0 50 DCAA CCc1nc(CNC(=O)N2CCN3CCOC[C@H]3C2)cs1 253419340 MOSJJCCUGGTCTK-GFCCVEGCSA-N 310.423 0.932 0 50 DCAA CC1(C)[C@H](C(=O)O)[C@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1 34926439 KBGMSXKDTQTSFZ-RYUDHWBXSA-N 320.345 0.921 0 50 DCAA Cn1ccnc1[C@@H]1CNCCN1C(=O)c1cccc2c1OCO2 261722306 LPXOBCJGFZBJNA-LBPRGKRZSA-N 314.345 0.936 0 50 DCAA CC1=CCCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 373914806 ZOPAKUXNHYWGEN-HNNXBMFYSA-N 321.421 0.346 0 50 DCAA CC(C)(CNC(=O)C1CCN(CC(F)(F)F)CC1)C(N)=O 131775640 PGCWRZQQGPCHNP-UHFFFAOYSA-N 309.332 0.888 0 50 DCAA O=C(O)c1ccc(CN2CCN(CCn3cncn3)CC2)cc1 77437382 XCZHTGSKKBFEOA-UHFFFAOYSA-N 315.377 0.794 0 50 DCAA O=C(O)[C@@H]1COCCN1C(=O)Cc1cnn(-c2ccccc2)c1 262507999 JPQTXZWBJQPQCD-AWEZNQCLSA-N 315.329 0.727 0 50 DCAA NC(=O)[C@@H]1CN(C(=O)c2cc(-n3cccc3)ccn2)CCO1 376724161 WPIPDDUMORHVPD-ZDUSSCGKSA-N 300.318 0.199 0 50 DCAA O=C(NC[C@H](c1ccccn1)N1CCOCC1)c1cc(=O)[nH]o1 215483575 GYNDQQIHEYVWQQ-GFCCVEGCSA-N 318.333 0.166 0 50 DCAA Cn1ccnc1-c1ccccc1C(=O)N[C@@H]1CCNC[C@H]1O 77378043 YSHGPPSUNWDCKA-ZIAGYGMSSA-N 300.362 0.540 0 50 DCAA O=C(NCc1nc(-c2cnccn2)n[nH]1)[C@H]1CCC[C@@H](O)C1 222275408 ZQWUNTWTQPFDSI-VHSXEESVSA-N 302.338 0.429 0 50 DCAA CCCn1cc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)nn1 95506685 YWLNDAFVWOJQJQ-VIFPVBQESA-N 301.372 0.244 0 50 DCAA CCN(Cc1nc2ncccn2n1)Cc1nc(COC)no1 243932299 BUNRYHDERXBSCD-UHFFFAOYSA-N 303.326 0.676 0 50 DCAA Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)c2cnc3n2CCC3)cn1 862921286 MJCQAWIHOXGIPP-WCQYABFASA-N 317.349 0.139 0 50 DCAA CN1CC(=O)N(CC(=O)N2CC[C@@H](Oc3ccccc3)C2)C1=O 374220867 SPUIXPAWSNRYAB-CYBMUJFWSA-N 317.345 0.560 0 50 DCAA CCc1nnc(CN(C)C(=O)[C@@H]2CCCCn3nnnc32)o1 584889711 WAPXDQLUJKUNGF-SECBINFHSA-N 305.342 0.545 0 50 DCAA COCCn1cnnc1CN(C)C(=O)c1cccc2ccnn12 584886908 KSDVAFYWIGMZNC-UHFFFAOYSA-N 314.349 0.844 0 50 DCAA CN1CCN(S(=O)(=O)c2ccc3nc[nH]c3c2)C[C@H]1CCO 670453677 BCWQEMARPSJFDQ-LLVKDONJSA-N 324.406 0.250 0 50 DCAA O=C1CC2(CCC2)[C@@H](NC(=O)c2nccc3ncncc23)CN1 1875298958 TYJHQBJNPOPYQE-LBPRGKRZSA-N 311.345 0.813 0 50 DCAA Cc1ncccc1CN1CCCN(C(=O)Cn2cnnn2)CC1 980677150 HLALXXGWJNXJRU-UHFFFAOYSA-N 315.381 0.111 0 50 DCAA CCc1ncnc(N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1F 896895558 QUSPBLJHLIBFJE-BDAKNGLRSA-N 302.375 0.539 0 50 DCAA CC1=CC[C@H]2CN(C(=O)Cc3cnc(O)n(C)c3=O)C[C@H]2C1 1565512767 YRHWNKXIXHMRHR-WCQYABFASA-N 303.362 0.843 0 50 DCAA C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N(C)CCc1ccncc1 272357471 BPSLLWIPORQYKG-SMDDNHRTSA-N 305.378 0.358 0 50 DCAA COCc1ccc(CN2CCO[C@@H](CN(C)CC(N)=O)C2)cc1 275804803 TVGCCJUKHBMQRB-INIZCTEOSA-N 321.421 0.451 0 50 DCAA C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O 186640166 UHXBTFSCJAXTSH-SCVCMEIPSA-N 304.350 0.353 0 50 DCAA Cc1ccccc1C1(C(=O)N2CCN(CC(N)=O)CC2)CC1 171131393 DXBNDGRPIHNTBD-UHFFFAOYSA-N 301.390 0.656 0 50 DCAA CC(=O)N1CCC[C@](O)(C(=O)N[C@H]2CCCc3c2cnn3C)C1 408045491 FZXCBUMDECOAQU-XJKSGUPXSA-N 320.393 0.287 0 50 DCAA CCCn1ncnc1CN1CCC[C@@](O)(CC(=O)N(C)C)C1 643812346 LZDXGTCMMWDDKH-OAHLLOKOSA-N 309.414 0.493 0 50 DCAA COC[C@@]1(C(N)=O)CCCN1C(=O)C1Cc2ccccc2C1 643939273 HAEBUSTUBYDTEI-QGZVFWFLSA-N 302.374 0.894 0 50 DCAA NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)O)cn1 572075949 MYBFRQVJNMKQOM-CYBMUJFWSA-N 313.313 0.606 0 50 DCAA COc1cccc(N2CCN(C(=O)[C@H]3CCNC3=O)CC2)c1 665274107 JZYNPFIPOHMLJT-AWEZNQCLSA-N 303.362 0.480 0 50 DCAA COc1ccc(CNC(=O)/C=C/C(=O)N[C@H](C)CCO)cc1 585122100 NOXQNYQJGKVEFG-ABZNLYFFSA-N 306.362 0.755 0 50 DCAA Cc1cc(C[C@@H]2CN(c3nc(C(N)=O)cs3)C[C@@H]2O)on1 1704357113 CAIDUJZFSDJYTD-KCJUWKMLSA-N 308.363 0.578 0 50 DCAA Cc1ccc(CNC(=O)CN2CCC[C@](O)(C(N)=O)C2)cc1F 225480321 FNULQHYQSSJEEO-MRXNPFEDSA-N 323.368 0.063 0 50 DCAA CN1C[C@H](C(=O)N2CCNC(=O)C2(C)C)c2ccccc2C1=O 369628017 DXMFXIAZOFYNRK-ZDUSSCGKSA-N 315.373 0.593 0 50 DCAA C[C@H]1C[C@H](NC(=O)NCc2nc(C3CC3)n[nH]2)c2ncnn21 1647279026 FMECLUGXPQBFOZ-CBAPKCEASA-N 302.342 0.779 0 50 DCAA CN1C[C@H](NC(=O)N[C@H]2c3ccccc3C[C@@H]2O)CCC1=O 162915412 ZKXCOYOFFUQGOF-ZLDLUXBVSA-N 303.362 0.565 0 50 DCAA COC[C@@]1(C(=O)O)CCCN1C(=O)c1cc(N(C)C)ccn1 818310625 JCPRTTHFRLHOBT-OAHLLOKOSA-N 307.350 0.853 0 50 DCAA COCCn1nccc1C(=O)O[C@@H](Cc1ccccc1)C(N)=O 2325749841 ALDREYPVEYYMNY-AWEZNQCLSA-N 317.345 0.783 0 50 DCAA COc1ccc(S(=O)(=O)NCCCN(C)C)cc1OC 7374608 UJUPDHRRZWPYFW-UHFFFAOYSA-N 302.396 0.934 0 50 DCAA O=C(NC1CCC(NC(=O)[C@H]2CCCO2)CC1)[C@@H]1CCCO1 13153664 NGJSKOHPBMYWQM-LLZFXZEUSA-N 310.394 0.888 0 50 DCAA Cc1ccccc1[C@H]1[C@@H](C(=O)NCCO)C[C@@](C)(C(=O)O)N1C 67946174 QIFGSBFXWDUSEG-ZQIUZPCESA-N 320.389 0.940 0 50 DCAA COCCN1CC[C@@H](CNC(=O)c2c[nH]c(=O)c(Cl)c2)C1 68492164 UCCYJZOARQDCHR-JTQLQIEISA-N 313.785 0.726 0 50 DCAA O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1c[nH]nn1 72152098 OAJVXEFDCCSVLY-UHFFFAOYSA-N 310.317 0.458 0 50 DCAA CN(Cc1cnc2ccccc2n1)C(=O)CN1C(=O)CNC1=O 91434883 KRCPLCZMSXQHQW-UHFFFAOYSA-N 313.317 0.140 0 50 DCAA Cn1c(=O)c(C(=O)N2CCC[C@H](C(N)=O)C2)nc2ccccc21 97698921 PBTZTDMXMHVOAD-JTQLQIEISA-N 314.345 0.271 0 50 DCAA CC(C)n1cncc1CN1CCC(NS(C)(=O)=O)CC1 102541071 SGWQQJIGKFSXPG-UHFFFAOYSA-N 300.428 0.978 0 50 DCAA CC(C)OCC[C@H](O)CN1CCCN(CC(=O)N(C)C)CC1 170606428 RZDIDDQVVGANEC-HNNXBMFYSA-N 315.458 0.258 0 50 DCAA NS(=O)(=O)c1ccc(CCNc2ncnc3[nH]ncc23)s1 170633062 KUSBYHPMYCNMNO-UHFFFAOYSA-N 324.391 0.716 0 50 DCAA C=CC(=O)NCCNC(=O)[C@@H]1COc2ccc(OC)cc2C1 171831627 YSRJGHMBNPTFPT-LBPRGKRZSA-N 304.346 0.665 0 50 DCAA COc1ccc(CN2CCN(C(=O)c3ncn[nH]3)CC2)cn1 215023856 KYDUUPGJUNOMHO-UHFFFAOYSA-N 302.338 0.166 0 50 DCAA CN1CCCN(CC(=O)NCc2cc(C(C)(C)C)n[nH]2)CC1 220312768 GMKXQALTHKGLBC-UHFFFAOYSA-N 307.442 0.961 0 50 DCAA CCO[C@@H]1C[C@@](O)(CNC(=O)[C@H](C)S(C)(=O)=O)C1(C)C 225356159 WDZBEPJSBIBZCJ-OPQQBVKSSA-N 307.412 0.102 0 50 DCAA COc1ccnc(N2CCC(C(=O)N3CC[C@@H](N)C3)CC2)n1 237370515 STPFVOMDOBBURX-GFCCVEGCSA-N 305.382 0.261 0 50 DCAA O=C(CNC(=O)[C@H]1CCNC1)Nc1ccc(-n2cccn2)cc1 238148882 JRNRQPDSWDAION-LBPRGKRZSA-N 313.361 0.537 0 50 DCAA O=C(CN1CCN(c2nc[nH]n2)CC1)N1CCc2ccccc21 244874305 WYTYSNMZRIZTGS-UHFFFAOYSA-N 312.377 0.516 0 50 DCAA Cn1ccnc(N2CCC[C@@H](NCc3ccc(CO)o3)C2)c1=O 275705145 XXHWZJBFKXOXON-GFCCVEGCSA-N 318.377 0.624 0 50 DCAA Cn1ncc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)n1 284562731 QOAATKGBGOFPEK-UHFFFAOYSA-N 314.349 0.767 0 50 DCAA Cc1cc(C(=O)N2C[C@H](F)C[C@H]2C(N)=O)ccc1-n1cncn1 287035686 VCZGHCPUNZSFLM-YPMHNXCESA-N 317.324 0.614 0 50 DCAA CN(CC(=O)N1CC(c2ccncc2)C1)[C@@H]1CCS(=O)(=O)C1 299781943 WHTHGGZNQHSUTE-CQSZACIVSA-N 323.418 0.126 0 50 DCAA CCOc1cc(N2CCC[C@H]2c2nc(C(N)=O)no2)ncn1 328619356 FTYOAPQULPXOLH-QMMMGPOBSA-N 304.310 0.699 0 50 DCAA CN1CCN(C(=O)COC[C@@H]2CCCO2)C[C@@H]1c1ncc[nH]1 328643843 YZQXPHDRMLVUKV-QWHCGFSZSA-N 308.382 0.420 0 50 DCAA CCN(Cc1nnc(C)o1)[C@@H]1CN([C@H]2CCCC[C@H]2O)C[C@H]1O 328655990 YXJMMLMBJKDFGB-GBJTYRQASA-N 324.425 0.549 0 50 DCAA O=C([C@H]1CCCCO1)N1CC[C@H](Nc2ccc3nccn3n2)C1 329093537 KFCPZYUGQTVQIU-QWHCGFSZSA-N 315.377 1.311 0 50 DCAA CC(C)CN1CCO[C@H](CNC(=O)C2(S(C)(=O)=O)CC2)C1 332169691 SZMCALDXRZDPDU-GFCCVEGCSA-N 318.439 0.037 0 50 DCAA Oc1n[nH]c(C2CCN(C[C@@H](O)COCC(F)(F)F)CC2)n1 368396400 CIIPCLUSGCURRK-SECBINFHSA-N 324.303 0.630 0 50 DCAA Cc1cc(C(=O)N2C[C@H](O)[C@@H](OC(C)C)C2)c(=O)n(C)c1C 426399466 WFAOJNZPKUWLJY-KBPBESRZSA-N 308.378 0.612 0 50 DCAA CN(CCNC(=O)c1cccc(-c2cnc[nH]2)c1)S(C)(=O)=O 426434548 UTNXSXIQINHUQU-UHFFFAOYSA-N 322.390 0.698 0 50 DCAA CN(C)C(=O)C(C)(C)NC(=O)c1ccccc1-n1cnnc1 426550377 HEIZKDZFFJJTRI-UHFFFAOYSA-N 301.350 0.864 0 50 DCAA O=C(c1ccccc1)N1CCC(N[C@H]2CNCC[C@H]2O)CC1 426690534 GAISMWGDUUJWCZ-JKSUJKDBSA-N 303.406 0.604 0 50 DCAA Nc1ncc(CN2CCC(N3CCC[C@@H](C(=O)O)C3)CC2)cn1 534643603 PFGYEBCLYYJWNU-CYBMUJFWSA-N 319.409 0.820 0 50 DCAA Nc1nc(=NC2CC2)cc(NCCN2CCC(CO)CC2)[nH]1 584898629 SLURGOPGJWYNQL-UHFFFAOYSA-N 306.414 0.171 0 50 DCAA CCc1nc(CCN[C@@H](C)CNS(=O)(=O)C2CC2)no1 584901308 REWDPCKWSXOHDO-VIFPVBQESA-N 302.400 0.234 0 50 DCAA CCC[C@@H](C(=O)OCC)S(=O)(=O)N(C)c1ccn(C)n1 585086335 BTXCYDKHGULAEU-JTQLQIEISA-N 303.384 0.918 0 50 DCAA O=C(c1ccc(Cl)c(N2CCNC2=O)c1)N1CCOCCN1 615493283 QZEJZFSZZLARKF-UHFFFAOYSA-N 324.768 0.847 0 50 DCAA CN1C(=O)CC[C@H]1CC(=O)NC[C@H](n1cncn1)C(F)(F)F 633989307 WKWCLSGKDKUPPA-IUCAKERBSA-N 319.287 0.509 0 50 DCAA COc1ccc(F)cc1CC(=O)N1CCC[C@@](O)(CC(N)=O)C1 644001227 HXCMKNIQPRVJNA-MRXNPFEDSA-N 324.352 0.606 0 50 DCAA CNC(=O)C[C@]1(O)CCCN(C(=O)c2n[nH]c3ccccc23)C1 644032895 FVVOKNYIXZVBHV-MRXNPFEDSA-N 316.361 0.666 0 50 DCAA Cc1nnc2n1C[C@@H](C(=O)N1CCOC3(CCC3)C1)N(C)C2 644407372 JYWUDJMATOVUFM-LBPRGKRZSA-N 305.382 0.182 0 50 DCAA CC(C)c1ncc(S(=O)(=O)Nc2cc(C(=O)O)n(C)n2)[nH]1 788133236 WDMGTGLHJZENEI-UHFFFAOYSA-N 313.339 0.766 0 50 DCAA C[C@]1(CNS(=O)(=O)c2cc(C(N)=O)cs2)CCCO1 826848989 MQQKFHFEWXKSFB-LLVKDONJSA-N 304.393 0.694 0 50 DCAA CN(C)Cc1cc(O[C@@H]2CCN(Cc3nnn(C)n3)C2)ccn1 886062962 CLFKFDQMMJDCFA-CQSZACIVSA-N 317.397 0.320 0 50 DCAA Cc1cc(C(=O)N2CCN([C@@]3(C(N)=O)CCOC3)CC2)c(C)o1 888078360 LRQDEWQUFNQPFQ-INIZCTEOSA-N 321.377 0.299 0 50 DCAA Cc1cc(CNC(=O)[C@@H]2CC[C@@H](C(=O)O)N2C2CC2)nc(C)n1 888101889 QVTQDMKXSAPLNN-KBPBESRZSA-N 318.377 0.790 0 50 DCAA COCCn1nnnc1NC(=O)[C@H]1Cc2cc(F)ccc2O1 906299073 IFDZLZVVBPOEJF-LLVKDONJSA-N 307.285 0.401 0 50 DCAA Cc1csc(S(=O)(=O)NCc2nc(N(C)C)n[nH]2)c1 907376130 ZHWGITWPCIGFFK-UHFFFAOYSA-N 301.397 0.719 0 50 DCAA Cc1n[nH]c(C)c1S(=O)(=O)N(C)C[C@@H](C)N1CCOCC1 952966672 WGEOUGKEVLDSQY-SNVBAGLBSA-N 316.427 0.368 0 50 DCAA Cc1ccc2c(C(=O)N3C[C@@H]4OCCN(C)[C@H]4C3)cnn2c1 1269143811 XZBFOQLPZDCWAX-GJZGRUSLSA-N 300.362 0.798 0 50 DCAA CCN(CCN1CCOCC1)C(=O)c1cc(O)cc(C(=O)O)c1 1506408856 YAXOEGWJPIJSMN-UHFFFAOYSA-N 322.361 0.885 0 50 DCAA CCN(CCO)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccccc1C 1529173556 LRLYJIIJYVODFO-CVEARBPZSA-N 320.389 0.734 0 50 DCAA Nc1ncc(C(=O)N2C[C@@H](O)[C@H](Cc3ccccn3)C2)s1 1704297928 BGVVKIWZHPFGST-MWLCHTKSSA-N 304.375 0.796 0 50 DCAA CNS(=O)(=O)CCNc1ncccc1C(=O)N1CCCC1 1704301033 HDHPADJWNNLPGJ-UHFFFAOYSA-N 312.395 0.279 0 50 DCAA CN1C(=O)[C@H]2COC[C@@H]1CN(Cc1cccc(C(=O)O)c1)C2 1704304939 PENHOEGVDMGPNB-KGLIPLIRSA-N 304.346 0.674 0 50 DCAA Cc1nn2ncccc2c1C(=O)N1CCC([C@@H](O)CO)CC1 1772708205 FOBINSOAPIENFB-ZDUSSCGKSA-N 304.350 0.243 0 50 DCAA Cc1cnn(C)c1S(=O)(=O)N(C)CCNc1ccccn1 1775989379 MQTDTRRNDDYNJE-UHFFFAOYSA-N 309.395 0.856 0 50 DCAA CCC(=O)N1CC[C@@H](C(=O)N2CCC(c3nc(O)n[nH]3)CC2)C1 1875266588 NXWKLWUQDKNZIF-LLVKDONJSA-N 321.381 0.475 0 50 DCAA CNC(=O)[C@@H](Cc1ccccc1)N=c1nc(C)nc2[nH][nH]cc1-2 1875286955 OMDPVKWUMFXOLU-CYBMUJFWSA-N 310.361 0.804 0 50 DCAA 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CCCC(=O)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1 77555492 KWAOWYVKNZRHMD-UHFFFAOYSA-N 320.393 0.482 0 50 DCAA O=C1CN(Cc2ncnn2-c2ccc(F)c(Cl)c2)CCN1 91391139 OFRACSQAXQZDCT-UHFFFAOYSA-N 309.732 0.992 0 50 DCAA CS(=O)(=O)N1CCC(CNC(=O)c2cscn2)CC1 171168360 FGHWNKXIDGSAQJ-UHFFFAOYSA-N 303.409 0.545 0 50 DCAA O=C(O)COc1ccc(CN2CCC[C@](O)(CO)CC2)cc1 215954047 XALTWITZZUGQFM-MRXNPFEDSA-N 309.362 0.859 0 50 DCAA CCc1nccn1CC(=O)NCc1nnnn1-c1ccccc1 221204598 CIDAMKOAFVDPGD-UHFFFAOYSA-N 311.349 0.738 0 50 DCAA COC[C@@H](C)NC(=O)CN1CC[C@@H](CNc2ccccn2)C1 222197681 RZNHTQQTKYPCTJ-KGLIPLIRSA-N 306.410 0.967 0 50 DCAA Cc1ccc2c(c1)c(CNC(=O)[C@@H](C)NS(C)(=O)=O)nn2C 222668776 ZLKJOXAKOWXMRS-SNVBAGLBSA-N 324.406 0.436 0 50 DCAA CC[C@@H](C)[C@H](CO)NC(=O)Cn1cnc2ccsc2c1=O 230216753 IYHLHGAGAYQRLN-KOLCDFICSA-N 309.391 0.981 0 50 DCAA O=C(N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1cnn[nH]1 244716232 LLDCNXKQADPACP-ZOWXZIJZSA-N 314.345 0.982 0 50 DCAA O=C(CCN1CCCO1)N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 252537374 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301.350 0.673 0 50 DCAA CO[C@H]1C[C@@H](C(=O)NCc2ccc(NC(C)=O)nc2)N(C)C1 330589536 YABGAMPDIPUQBO-STQMWFEESA-N 306.366 0.375 0 50 DCAA CN(C)C/C=C/C(=O)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42 493014688 IKYRIFYNNXTBQQ-FYYSNRIGSA-N 302.418 0.729 0 50 DCAA CCO[C@@H](CS(=O)(=O)N1CC(=O)N(C)[C@@H](C)C1)C1CC1 625189369 QUDMOYWZBCCCHS-JQWIXIFHSA-N 304.412 0.294 0 50 DCAA Cn1cc(N2[C@H](C(=O)O)CC[C@@H]2C(=O)NC2(C3CC3)CC2)cn1 630663763 CWWMWBCSOGGSEK-OLZOCXBDSA-N 318.377 0.901 0 50 DCAA CO[C@H]1CN(C(=O)Nc2ccc3c(n2)OCCO3)[C@@](C)(CO)C1 640375891 YMUVAAAIIYJDLC-MEBBXXQBSA-N 323.349 0.856 0 50 DCAA CNC(=O)[C@]1(COC)CCCN1C(=O)c1ncc(F)cc1F 643948256 NKTPOGJSKPGJDF-CQSZACIVSA-N 313.304 0.727 0 50 DCAA CNC(=O)C[C@]1(O)CCCN(C(=O)c2ccccc2COC)C1 644034244 MHAHNMLXVOVFBX-QGZVFWFLSA-N 320.389 0.936 0 50 DCAA O=C(NCCCn1cccn1)c1coc(CN2CC[C@H](O)C2)n1 685943887 GXCKDZCALLRXET-LBPRGKRZSA-N 319.365 0.258 0 50 DCAA O=C(Cc1cccc2cccnc12)N1CCO[C@@H](c2nn[nH]n2)C1 732089516 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O=C(O)Cn1cnc(NC(=O)[C@@H]2CCOc3ccccc32)n1 647780837 PRYKJLZIEAFFOX-SNVBAGLBSA-N 302.290 0.868 0 50 DCAA C[C@@H](Oc1ccccc1C#N)C(=O)N1CCO[C@@H](C(=O)O)C1 261931534 JQCAVYHSFZYPBB-ZWNOBZJWSA-N 304.302 0.638 0 50 DCAA Cc1ncoc1CNS(=O)(=O)c1cnn([C@H]2CCOC2)c1 907597161 HAEFCGAERXSBBZ-JTQLQIEISA-N 312.351 0.619 0 50 DCAA COCCn1nc(C(=O)NCc2cccnc2)c2c1CCNC2 299795063 LISRJMKLRBPHAV-UHFFFAOYSA-N 315.377 0.500 0 50 DCAA C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)N1CCc2ccccc21 900161167 RBWXXEHTBPPISX-LBPRGKRZSA-N 314.389 0.905 0 50 DCAA COCCNC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O 4996078 HIOUYCFTYHCFRZ-UHFFFAOYSA-N 316.379 0.224 0 50 DCAA CCCCS(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1 6746893 BZIZDMPZSRMSTH-UHFFFAOYSA-N 318.439 0.687 0 50 DCAA O=CN1CCN([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 18116352 KKKUZKJUVLLGCX-CYBMUJFWSA-N 321.764 0.746 0 50 DCAA O=CN1CCN([C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 19782451 WMVUAJDVQZANHV-ZDUSSCGKSA-N 305.309 0.232 0 50 DCAA COc1ccc(OC)c(CNC(=O)CC[C@@H]2NC(=O)NC2=O)c1 25829285 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307.379 0.432 0 50 DCAA CNc1nnc(CC(=O)N2CCN(C)[C@@]3(CCOC3)C2)s1 1615591959 PRPXDLQWDZRRAG-ZDUSSCGKSA-N 311.411 0.055 0 50 DCAA Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1C[C@H](O)[C@@H](F)C1 1615707155 YXPGRGHVQLQXCH-QWRGUYRKSA-N 305.375 0.784 0 50 DCAA N[C@@H]1C[C@H](C(=O)NCCN2CCc3ccccc3C2)C[C@H]1O 1857737003 ZIEMVQCGRHZZQN-ARFHVFGLSA-N 303.406 0.259 0 50 DCAA Cc1cc(O)ccc1C(=O)N[C@H]1C[C@H]2CO[C@@H](CCO)CN2C1 1857737474 NUQCRMPEKQKEDG-YDHLFZDLSA-N 320.389 0.655 0 50 DCAA C[C@H]1C(=O)NCCCN1S(=O)(=O)c1cccc2c1OCC2 575603523 CPXQIYGEEQXBJU-JTQLQIEISA-N 310.375 0.521 0 50 DCAA CCN1CCOC[C@@H]1C(=O)N1CCN(C)c2nc(OC)ccc21 906209121 QAVYFZMJZBVCHJ-CYBMUJFWSA-N 320.393 0.594 0 50 DCAA Cc1c(C(=O)N[C@@H]2CO[C@@H]3[C@H](O)CO[C@H]23)[nH]c2c(F)cccc12 2100557134 NNWVAAIGMWMVJO-YIKOMLBNSA-N 320.320 0.872 0 50 DCAA CC(=O)N[C@@H]1c2ccccc2C(=O)N1[C@H]1CCC(=O)NC1=O 2325903724 GJGRKQRZLIIXJA-AAEUAGOBSA-N 301.302 0.082 0 50 DCAA O=C(O)CNc1ncc(CN2CCC[C@]23CCCNC3=O)cn1 2356163467 FFFDCHLWTZZVJA-HNNXBMFYSA-N 319.365 0.218 0 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C[C@@H](OCC(=O)N1CCOCC(F)(F)C1)c1nccn1C 367968146 LQYOXHCYKMSCTE-SNVBAGLBSA-N 303.309 0.992 0 50 DCAA Nc1cnn(CC(=O)NCC[C@H]2COc3ccccc3O2)c1 216155527 SUJPEWYTJXFBLH-LBPRGKRZSA-N 302.334 0.812 0 50 DCAA NCC(=O)N1CCC[C@]2(CCC(=O)N(Cc3cccnc3)C2)C1 72418616 WRJFCHFSBSQAEL-KRWDZBQOSA-N 316.405 0.772 0 50 DCAA CCCC[C@@H](NC(=O)c1ncoc1COCC(=O)O)C(=O)O 863981894 SESYYLPZRNEODQ-MRVPVSSYSA-N 314.294 0.649 0 50 DCAA CNC(=O)Cn1cc(NC(=O)c2cn(C)nc2C(C)(C)C)cn1 127096098 JAZMODXLONGWCB-UHFFFAOYSA-N 318.381 0.912 0 50 DCAA CN(Cc1ccccc1N1CCOCC1)C(=O)[C@H]1COCCN1 237165729 DLYZPNWXGMGDFI-OAHLLOKOSA-N 319.405 0.470 0 50 DCAA COc1nc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1 38927298 GSZHQQRPVYFNQY-UHFFFAOYSA-N 311.323 0.272 0 50 DCAA CCC(=O)N1CSC[C@@H]1C(=O)N[C@]1(C(=O)O)CCSC1 262264420 ZHSDPEMGNVWZKP-PRHODGIISA-N 318.420 0.374 0 50 DCAA CC(C)c1cc(C(=O)NS(=O)(=O)C[C@H]2CCOC2)n[nH]1 157908333 JPAVLSGXIXRXMX-VIFPVBQESA-N 301.368 0.629 0 50 DCAA C[C@H]1OCCN(CC(=O)N(C)Cc2ccc(F)cc2)[C@@H]1C(N)=O 285159209 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0.409 0 50 DCAA CC(C)[C@H]1CN(C(=O)c2ccncc2)C[C@@H]1NS(C)(=O)=O 92046981 WBHKCYBCIUIDSU-OLZOCXBDSA-N 311.407 0.727 0 50 DCAA CC(C)Cc1noc([C@H](C)NC(=O)N2CCNC(=O)CC2)n1 534579700 NSCHJJNMYARGJC-JTQLQIEISA-N 309.370 0.861 0 50 DCAA CN(C)CCN1C(=O)CC[C@@H]1CCNC(=O)c1cn(C)cn1 299765239 KSIFYVZSYPVTBB-GFCCVEGCSA-N 307.398 0.093 0 50 DCAA O=C(c1ccccn1)N1CC[C@@H](NC(=O)C2(C(=O)O)CCC2)C1 1875267348 PMEQDSIXMHTFRS-LLVKDONJSA-N 317.345 0.667 0 50 DCAA C=CC(=O)N1CC(C(=O)N2CCN(Cc3cccnc3)CC2)C1 1875386985 IHDOBURJCXOLHX-UHFFFAOYSA-N 314.389 0.370 0 50 DCAA CC1=NS(=O)(=O)NC(C)=C1CC(=O)Nc1cc[nH]c(=N)c1 1875386988 IMBVUSQZQLHEBH-UHFFFAOYSA-N 309.351 0.406 0 50 DCAA CN(C)C(=O)CN1CCCN(C2CSCCSC2)CC1 952869143 DKTMSTIRNKPMRN-UHFFFAOYSA-N 317.524 0.931 0 50 DCAA Cn1cc(CC(=O)N2CCC([C@@H]3CC[C@H](C(=O)O)O3)CC2)cn1 1775958243 MQYJWTMRUYASDA-UONOGXRCSA-N 321.377 0.833 0 50 DCAA Cn1cc(C(=O)NC2CCN(CC(F)(F)F)CC2)nc1O 1361929885 DVMJKEPLZKXZAX-UHFFFAOYSA-N 306.288 0.882 0 50 DCAA O=C(O)[C@@]1(CNS(=O)(=O)N2C[C@H]3CC[C@H]2C3)CCCOC1 630431303 CUZGOEPJXWTKGP-GMXVVIOVSA-N 318.395 0.187 0 50 DCAA CCn1cc([C@H]2OCC[C@@H]2NC(=O)[C@H]2CN(C)CCO2)cn1 275330068 JZBPNSFHLIDZCC-BFHYXJOUSA-N 308.382 0.180 0 50 DCAA CN(CC(N)=O)C[C@@H]1CN(Cc2ccc3cn[nH]c3c2)CCO1 275822545 UUVWODAFCLOROI-CQSZACIVSA-N 317.393 0.181 0 50 DCAA C[C@H]1C[C@H](O)CN1c1ccc(S(=O)(=O)NCC2CC2)cn1 170088639 DVKPREYTPPPQLT-JQWIXIFHSA-N 311.407 0.729 0 50 DCAA C[C@@H](NS(C)(=O)=O)C(=O)N1CCN(C2CC2)c2ccccc21 187537872 HGLAADYFWPOOJQ-LLVKDONJSA-N 323.418 0.940 0 50 DCAA CN(Cc1cc[nH]n1)C(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 1529111973 CYDMVMFHROXDQD-CABCVRRESA-N 314.345 0.624 0 50 DCAA Cc1ccc(OCCNC(=O)N2CC3(C2)CS(=O)(=O)C3)cc1 1616035724 CCVGGTJEAYCQNP-UHFFFAOYSA-N 324.402 0.814 0 50 DCAA COC(=O)c1cc(=O)[nH]c(=O)n1COCC[Si](C)(C)C 169811378 ZZPZVIXUFQSMKK-UHFFFAOYSA-N 300.387 0.636 0 50 DCAA CN(C)c1ccc(C(=O)N2CCC[C@H](N3CCNC3=O)C2)cn1 368805250 LVPPQJJTLATIKG-ZDUSSCGKSA-N 317.393 0.777 0 50 DCAA O=C(C[C@@H]1CNCCO1)NCc1ccc(N2CCOC2=O)cc1 832135230 OOVITJVFASRWBX-CQSZACIVSA-N 319.361 0.638 0 50 DCAA C[C@H]1CCCCN1S(=O)(=O)N(C)CC1(O)CCOCC1 162097601 AAZYAEMNURRMAQ-LBPRGKRZSA-N 306.428 0.579 0 50 DCAA Cc1ccc(F)c(S(=O)(=O)NC[C@]2(O)CCCNC2)c1 534653727 MESOKEKMWNRADB-ZDUSSCGKSA-N 302.371 0.527 0 50 DCAA CN1C(=O)[C@H]2COC[C@@H]1CN(C(=O)c1cn3ccsc3n1)C2 2100537933 XZSQVZFULUOILA-ZJUUUORDSA-N 320.374 0.325 0 50 DCAA C[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc2c(c1)CCNC2=O 2325771401 MPZOORUXGMOWDU-SNVBAGLBSA-N 301.346 0.275 0 50 DCAA CN(Cc1nccn1C)C(=O)[C@@H](N)Cc1n[nH]c2ccccc12 2325780335 ZEUWDJBYCDEWPY-LBPRGKRZSA-N 312.377 0.825 0 50 DCAA O=C(O)[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@](O)(c2cccc(F)c2)C1 2325891741 AZVSGGIITSPJCU-WWGRRREGSA-N 323.320 0.735 0 50 DCAA O=S1(=O)CC[C@@H](NS(=O)(=O)/C=C/c2ccccc2)C1 1197641 HJZWFMSWPHKQTD-UVMWJGKXSA-N 301.389 0.764 0 50 DCAA Cc1ccc(S(=O)(=O)NC[C@H](C)NS(C)(=O)=O)cc1 2848340 BCPXBSZHATYLKX-JTQLQIEISA-N 306.409 0.211 0 50 DCAA CCOC(=O)CNC(=O)CCSc1ncnc2nc[nH]c12 5349733 YPXAJARQHAUEJT-UHFFFAOYSA-N 309.351 0.514 0 50 DCAA CO[C@H]1O[C@H](CF)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 5495629 CMWVMIMZFZXIIK-FHUSYTEZSA-N 322.285 0.122 0 50 DCAA Cc1n[nH]cc1C(=O)NCc1cccnc1N1CCOCC1 12446337 YLDZBKIMDHZLIQ-UHFFFAOYSA-N 301.350 0.880 0 50 DCAA CC(=O)N1CN2CN(C(C)=O)CC(C(=O)c3ccccc3)(C2)C1 19312988 IWYXWURLAYUHIG-UHFFFAOYSA-N 315.373 0.797 0 50 DCAA CC(=O)N1CCO[C@@H](CNC(=O)c2c[nH]c(=O)c(Cl)c2)C1 67773590 QICPGNYPPZKBRC-JTQLQIEISA-N 313.741 0.005 0 50 DCAA COc1nc(C)cc(C)c1CNC(=O)C[C@@H]1C(=O)NCCN1C 72148706 XOIWFHGWRSWZPW-CYBMUJFWSA-N 320.393 0.144 0 50 DCAA Cc1nc(C)n(CC(=O)N2CCC(N3CCC(O)CC3)CC2)n1 72430057 FIDFSGOAGWKMOX-UHFFFAOYSA-N 321.425 0.343 0 50 DCAA CCOc1ccc(CN2CCN(CC(N)=O)C[C@@H]2CCO)cc1 72480267 AQCMNXAWGDGBEE-HNNXBMFYSA-N 321.421 0.439 0 50 DCAA CC[C@@H](C(=O)N1CC23CN(C)CC2(CN(C)C3)C1)n1cccn1 91364723 NUKKVPGFPHLYIJ-OOHWJJMZSA-N 317.437 0.540 0 50 DCAA O=C1C[C@@H](C(=O)N2CCC(O)CC2)CN1Cc1ccncc1 95389111 IDTQKUWBFBNEFJ-CYBMUJFWSA-N 303.362 0.413 0 50 DCAA Cn1c2c(cc(C(=O)N3CC[C@](C)(O)[C@@H](O)C3)c1=O)CCCC2 96141091 TXYAXAMUGIXVTR-YOEHRIQHSA-N 320.389 0.222 0 50 DCAA COCCCn1cnnc1[C@H](C)NC(=O)c1[nH]cnc1C(=O)O 97301269 MWFLERAWLXYSNT-QMMMGPOBSA-N 322.325 0.227 0 50 DCAA O=C(N[C@H]1C=CS(=O)(=O)C1)c1ccc(CN2CCCC2)o1 97514458 LXDJZFMSZJTNFA-NSHDSACASA-N 310.375 0.916 0 50 DCAA COc1cc(N2CCN(C(=O)[C@@H]3CCCO[C@H]3C)CC2)ncn1 190270250 ZROMJPNZZPUOIP-QWHCGFSZSA-N 320.393 0.949 0 50 DCAA O=C(c1nc(=O)[nH]c2ccccc12)N1CC(N2CCOCC2)C1 219248112 NUYZTPBAJRQCQM-UHFFFAOYSA-N 314.345 0.080 0 50 DCAA OCc1csc(N2CCN(Cc3ncc[nH]3)C[C@H](O)C2)n1 225330240 UIYVKAZLUBGSIE-NSHDSACASA-N 309.395 0.042 0 50 DCAA O=C(O)[C@H]1[C@@H]2C(=O)N(Cc3cccc(O)c3)C[C@@]23C=C[C@H]1O3 226641024 MAYISHAOGUNIAG-JXFSHQFZSA-N 301.298 0.759 0 50 DCAA CNC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 237162937 ABUJZEMCZRHTEM-LBPRGKRZSA-N 323.418 0.345 0 50 DCAA CN1C[C@H](C(=O)Nc2nnc(-c3cccnc3)s2)CC1=O 252507325 WHEZRTUEYYFVDC-SECBINFHSA-N 303.347 1.017 0 50 DCAA 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VZEQAVLVFNPUKI-SSDOTTSWSA-N 306.771 0.988 0 50 DCAA CN(C)c1nc2nonc2nc1NCCN1CCCCC1=O 12023855 VTBNMLWTYSSOJL-UHFFFAOYSA-N 305.342 0.503 0 50 DCAA CN(C)S(=O)(=O)N[C@@H]1CC(=O)N(C2Cc3ccccc3C2)C1 12429675 UCZMIZXECVWXIL-CYBMUJFWSA-N 323.418 0.151 0 50 DCAA CCN1CCN(C(=O)CCNC(=O)c2cccc(OC)c2)CC1 12866049 UXMVEQHRMSWEEZ-UHFFFAOYSA-N 319.405 0.979 0 50 DCAA C[C@@H](O)CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 19596694 IWZVKZFFBXLUEA-LLVKDONJSA-N 309.391 0.134 0 50 DCAA COc1nc(C)c(C(=O)N2CCN3CCN(C)C(=O)[C@@H]3C2)s1 65408320 UNWKOSSYBHSUCG-JTQLQIEISA-N 324.406 0.059 0 50 DCAA CCN1CCN(CCc2nc3c([nH]2)CC(C)(C)CNC3=O)CC1 65409647 KRVIMYQYGBQKAL-UHFFFAOYSA-N 319.453 0.902 0 50 DCAA CNc1ncc(CN(C)C(=O)[C@@H]2CC(=O)N(CC(C)C)C2)cn1 65526902 DHDLXFNSTMZIHU-CYBMUJFWSA-N 319.409 0.981 0 50 DCAA CN(CCO)C[C@]1(O)CCCN(Cc2ccccc2F)C1=O 67787467 FNQSZAYZOVEISP-MRXNPFEDSA-N 310.369 0.603 0 50 DCAA COCCNc1ncc(S(C)(=O)=O)c([C@@H]2CCCNC2)n1 71768038 WIAIQXUEQHRIRN-SNVBAGLBSA-N 314.411 0.405 0 50 DCAA CC(=O)c1c(C)nn(CC(=O)N2CCOC[C@H](CO)C2)c1C 77407627 ZJFKUMLKMLCFKK-ZDUSSCGKSA-N 309.366 0.170 0 50 DCAA CC(C)c1noc(CCNC(=O)[C@H]2CCCN(CC(N)=O)C2)n1 91409841 QAHSEWUPDNDUOZ-NSHDSACASA-N 323.397 0.049 0 50 DCAA Cc1nn(CCO)cc1CN1CCC2(CC1)OCCC[C@@H]2O 91493909 QZMWVBLIWDEPHA-HNNXBMFYSA-N 309.410 0.690 0 50 DCAA CCN(C)C[C@@H]1CN(C(=O)CCn2cc(C)cn2)C[C@@H]1CO 91724374 ZUUURUHBKDTSON-HUUCEWRRSA-N 308.426 0.600 0 50 DCAA Cc1cc(C)n(CCN2C[C@]3(CCOC3)CCC2=O)c(=O)n1 91943122 MLYPYLMIRQXFDN-MRXNPFEDSA-N 305.378 0.889 0 50 DCAA Cc1nc[nH]c1C(=O)N1CCN(C)[C@]2(CCNC(=O)CC2)C1 92022824 UHXCVDLGOJZGPN-OAHLLOKOSA-N 305.382 0.145 0 50 DCAA CN(Cc1cc[nH]n1)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 95375618 YBOALYZXQSZWRX-LBPRGKRZSA-N 313.361 0.812 0 50 DCAA Cn1ncc2cc(NC(=O)N3CCO[C@H](C(N)=O)C3)ccc21 96141973 UIZSKHLMQBQTHO-LBPRGKRZSA-N 303.322 0.291 0 50 DCAA CC[C@H]1COCCN1C(=O)c1coc(S(=O)(=O)NC)c1 152118818 DIKXTCZXPGODDI-JTQLQIEISA-N 302.352 0.439 0 50 DCAA Cc1ccc([C@](C)(O)CNC(=O)N[C@H]2CCCCNC2=O)o1 173909370 ADXCAXGYVXZCTP-XHDPSFHLSA-N 309.366 0.763 0 50 DCAA C[C@@H](NC(=O)[C@@H]1COCCO1)c1cn(-c2ccccc2)nn1 177711118 UBQJUOKJUNFUFS-RISCZKNCSA-N 302.334 0.860 0 50 DCAA Cn1c(=O)n(CCC(=O)N2CCC[C@H]2C(=O)O)c2ccccc21 178276163 LJKBOEPRTBNJBH-ZDUSSCGKSA-N 317.345 0.806 0 50 DCAA CCn1ncnc1CN1CCC[C@H](c2nnc(CO)n2C)C1 216242306 BZPWWXAJGQNTOF-NSHDSACASA-N 305.386 0.298 0 50 DCAA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cnn2cc(C)cnc12 218991256 FEOPOZVDUKITQD-ASEORRQLSA-N 316.361 0.817 0 50 DCAA CN(C)[C@H]1CCN(CC(=O)N2CCC(c3ncn[nH]3)CC2)C1 221193621 YGPJIWCKQGMRML-ZDUSSCGKSA-N 306.414 0.147 0 50 DCAA NC(=O)NCC(=O)N1C[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 222452873 KGHMUKIPFWRZGA-CABCVRRESA-N 316.405 0.778 0 50 DCAA O=C1CN(C(=O)C2(CO)CC2)CCN1Cc1ccccc1F 223774471 UAWJDKCTHKLPLF-UHFFFAOYSA-N 306.337 0.769 0 50 DCAA CC[C@@H]1CN(Cc2nnc3n2CCOC3)CCN1CC(F)F 225494998 PAKIHJJFMFBMJV-LLVKDONJSA-N 315.368 0.970 0 50 DCAA C[C@H]1CCCN(C(=O)CN2CCC(c3nc(=N)n(C)[nH]3)CC2)C1 225519472 OFJBSEPWAVFBHE-LBPRGKRZSA-N 320.441 0.666 0 50 DCAA CCN1CC[C@H](CNC(=O)N(C)[C@H]2CCS(=O)(=O)C2)C1 252510644 BAIHMVBMEPJJSR-NEPJUHHUSA-N 303.428 0.157 0 50 DCAA COCCS(=O)(=O)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 253395006 BTYDBSPVJCFCOW-STQMWFEESA-N 303.355 0.910 0 50 DCAA Cn1ccc2c(OCC(=O)N[C@H]3CCS(=O)(=O)C3)cccc21 253409235 LOOYXVDYRMMTJL-NSHDSACASA-N 322.386 0.860 0 50 DCAA C[C@@]12CCCN1C(=O)N([C@@H]1CCN(CC(F)(F)F)C1=O)C2=O 253420073 DCEMTGLOPJIZEK-PELKAZGASA-N 319.283 0.966 0 50 DCAA CN1C(=O)Cc2cc(S(=O)(=O)N3CCC[C@@H]3C(=O)O)ccc21 261602992 CCAWZZIEVOJVNF-GFCCVEGCSA-N 324.358 0.443 0 50 DCAA O=C([C@H]1OCCc2ccccc21)N1CCC(O)(C(=O)O)CC1 262756907 IBVAQMOZOQNKOB-ZDUSSCGKSA-N 305.330 0.739 0 50 DCAA O=C(O)[C@@H]1COCCN1C(=O)c1ccc(N2CCNC2=O)cc1 268963774 BBKMMJWIZHTWCR-LBPRGKRZSA-N 319.317 0.142 0 50 DCAA C[C@H]1OCCN(Cc2cnn(-c3ccccc3)n2)[C@@H]1C(N)=O 284629161 NRBDIUICPKSKDA-RISCZKNCSA-N 301.350 0.342 0 50 DCAA Cc1nc(CC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)cs1 299755789 CXVDGORTVFIRJZ-SECBINFHSA-N 303.409 0.131 0 50 DCAA CSCC[C@@H](O)C(=O)NCCn1ncc2ccccc2c1=O 299768025 FBLSQNLWXMUAQY-CYBMUJFWSA-N 321.402 0.627 0 50 DCAA NC(=O)NC1CCN(C(=O)Cc2n[nH]c3ccccc23)CC1 332293282 TXYNEEFBAYIBLA-UHFFFAOYSA-N 301.350 0.765 0 50 DCAA CN1CCN(CCNC(=O)N2C[C@H]3CC[C@H]2CN3)CC1(C)C 333826217 LQPFSYWGZGRKMV-KGLIPLIRSA-N 309.458 0.158 0 50 DCAA O=CNc1ccc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1 363301617 APBUWCWQCSZYJV-HZPDHXFCSA-N 317.389 0.926 0 50 DCAA O=C(Cc1ncccc1F)N1CCC[C@H](N2CCNC2=O)C1 365548707 REQHMALCTJVOBA-NSHDSACASA-N 306.341 0.779 0 50 DCAA COc1ccc2c(c1)CCN(C(=O)[C@H]1CN(C)CCO1)CC2 372628037 AMMAQAOQRIEKOP-MRXNPFEDSA-N 304.390 0.953 0 50 DCAA CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1cnc(C)nc1C 408125637 CHMZMTSKABZOBQ-LLVKDONJSA-N 312.395 0.247 0 50 DCAA C[C@H]1CCN(c2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)ccn2)C1 408417100 XODRDVWYKGXEFU-AAEUAGOBSA-N 323.418 0.845 0 50 DCAA CCCS(=O)(=O)NC[C@@H](C)N1CCC2(CCNCC2)C1 426523766 ZYZWYWYBMULSGQ-CYBMUJFWSA-N 303.472 0.780 0 50 DCAA O=C1C[C@@H](C(=O)NCCc2cnn[nH]2)c2ccc(F)cc2N1 426691362 XEMWJGVZNCBLMU-LLVKDONJSA-N 303.297 0.729 0 50 DCAA CN(C[C@H]1Cc2ccccc2O1)C(=O)NCCc1nc(N)n[nH]1 534653768 ULLRASXISHFBAK-LLVKDONJSA-N 316.365 0.575 0 50 DCAA Cn1nc(C(=O)NCc2n[nH]c3c2CCCCC3)ccc1=O 584885928 RVNRVPFVSJOSNI-UHFFFAOYSA-N 301.350 0.702 0 50 DCAA CN(C(=O)c1cccc(Nc2cnn(C)c2)c1)[C@@H]1COC[C@H]1O 585082470 XJBPJQLMPMZZLK-HUUCEWRRSA-N 316.361 0.995 0 50 DCAA CC(C)n1nccc1NC(=O)C[C@@H]1CS(=O)(=O)CCN1C 644283614 UODKMDHHCWXPLB-LLVKDONJSA-N 314.411 0.521 0 50 DCAA Cc1nnc2n1C[C@H](C(=O)N1CCOCC13CCCC3)N(C)C2 644407866 NYDZZNPGOPZNAQ-CYBMUJFWSA-N 319.409 0.572 0 50 DCAA CO[C@@H]1CNC[C@H]1NC(=O)c1cnn(Cc2ccccc2)c1 713856379 RPPCHEJYIANBDN-HUUCEWRRSA-N 300.362 0.648 0 50 DCAA C=CC(=O)N(C)CC(=O)NCCc1cnc2c(Cl)cnn2c1 861851070 RLZRMXODGUCHTN-UHFFFAOYSA-N 321.768 0.686 0 50 DCAA Cc1noc(C[C@]2(O)CCCN(C(=O)Cn3cccn3)C2)n1 886096314 ALLPKKXQTJNUHT-CQSZACIVSA-N 305.338 0.171 0 50 DCAA O=C(Nc1nncs1)N1CCCS(=O)(=O)C[C@H]1C1CC1 929096804 ISBRBNMXQRYFFM-VIFPVBQESA-N 316.408 0.969 0 50 DCAA Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)N=c2nc[nH]n2C)cn1 930510741 VQSXJNXBCPMOMZ-WDEREUQCSA-N 305.342 0.092 0 50 DCAA Cc1ccn(CC(=O)N2C[C@@H](CC(=O)O)[C@@H](c3cnn[nH]3)C2)n1 1076029739 SKXKLJCLCXWWTP-MNOVXSKESA-N 318.337 0.027 0 50 DCAA O=C(O)CN1CCN(C(=O)/C=C/c2cc(CO)cs2)CC1 1506395609 CGQYXDDQWRSAJH-OWOJBTEDSA-N 310.375 0.482 0 50 DCAA Cc1cc(S(=O)(=O)N[C@H]2CNC[C@@H]2O)c(C)cc1Cl 1565508714 XAPQTFOTXOHFRX-QWRGUYRKSA-N 304.799 0.568 0 50 DCAA Cc1c(C(=O)N2CC(=O)N(C)C[C@@H]2C(=O)O)cnn1C(C)C 1615553024 UFMFPZQEFSSCJL-LLVKDONJSA-N 308.338 0.140 0 50 DCAA Cc1nc(N2CC[C@@]3(CNC(=O)CO3)C2)c2nc(C)oc2n1 1772815457 LLAVIMWLLBXNBU-CQSZACIVSA-N 303.322 0.330 0 50 DCAA c1nc(N2CCN([C@H]3CCOC4(CCNCC4)C3)CC2)n[nH]1 1857667699 TYAVLWDTPCYQGV-ZDUSSCGKSA-N 306.414 0.228 0 50 DCAA C[C@H]1CC(CO)(CO)CN1[C@H](C)c1cccc(-c2nn[nH]n2)c1 1875329577 DKYDXGFYHDUWFT-NWDGAFQWSA-N 317.393 0.993 0 50 DCAA O=C(c1ccc2c(c1)CCCO2)N1CCO[C@H](c2nn[nH]n2)C1 2100482409 XKQAMOYCUXEMES-ZDUSSCGKSA-N 315.333 0.738 0 50 DCAA Cc1nc2nccc(NC3CCN(c4nc(=N)[nH][nH]4)CC3)n2n1 2325825988 KQGYQLNYACPVRP-UHFFFAOYSA-N 314.357 0.044 0 50 DCAA O=C1[C@@H](NC(=O)N2C[C@H]3CC[C@@]2(CO)C3)CCN1c1cc[nH]n1 2325828621 MPFVRTPHWPJGDG-PGUXBMHVSA-N 319.365 0.071 0 50 DCAA CCOC(=O)CN1C(=O)C(=O)N(Cc2cccc(C)c2)C1=O 4013559 KZLNMKBIFHNSAZ-UHFFFAOYSA-N 304.302 0.849 0 50 DCAA CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)O)C(C)C 4117651 PAZRNFHBUAVIRN-UONOGXRCSA-N 306.362 0.959 0 50 DCAA biogenic,in-vitro CC(=O)NCCC(=O)Nc1ccccc1CN1CCOCC1 55816112 MNDNXVLCFOZWDX-UHFFFAOYSA-N 305.378 0.984 0 50 DCAA COc1nc(C)c(C(=O)N2CCN3CCN(C)C(=O)[C@H]3C2)s1 65408322 UNWKOSSYBHSUCG-SNVBAGLBSA-N 324.406 0.059 0 50 DCAA OCC[C@H]1CN(CCO)CCN1Cc1ccc(F)c(F)c1 67689056 VRHZXZPXMFOCHN-ZDUSSCGKSA-N 300.349 0.826 0 50 DCAA CN1CCN(S(=O)(=O)c2cc(C(N)=O)ccc2Cl)CC1 72140597 OQQRYBILSOZPBR-UHFFFAOYSA-N 317.798 0.375 0 50 DCAA Cn1ncc(N2CCO[C@@H](CCNC(=O)C(C)(C)C)C2)cc1=O 72161893 JXVRDTJFKUVOIZ-ZDUSSCGKSA-N 322.409 0.538 0 50 DCAA O=C(c1cnc(-c2cccnc2)nc1)N1CCOC[C@@H](CO)C1 77344195 LCOPZSYNFVFWEU-GFCCVEGCSA-N 314.345 0.620 0 50 DCAA CN(CCO)C[C@@H]1CN(C(=O)Cc2ccccc2F)C[C@@H]1CO 91535796 JBPMCWOWTMRSOW-HUUCEWRRSA-N 324.396 0.359 0 50 DCAA O=C(Cn1cccnc1=O)N(C/C=C/c1ccccc1)CCO 97785461 GQYQEDWYTICQEM-XBXARRHUSA-N 313.357 0.778 0 50 DCAA C[C@H](C(=O)N[C@@H]1CCC(=O)NC1=O)N1CCc2ccccc2C1 152118440 UCJMRUDGISYMEQ-BXUZGUMPSA-N 315.373 0.355 0 50 DCAA C[C@@H]1C[C@@H](C)CN(C(=O)Cn2nnc3c(cnn3C)c2=O)C1 154459060 KFYYYJIYEHFJBE-NXEZZACHSA-N 304.354 0.030 0 50 DCAA O=S1(=O)CCN(Cc2cnc(N3CCCCC3)nc2)CC1 215102639 ADLNFBRJHNIOSN-UHFFFAOYSA-N 310.423 0.697 0 50 DCAA O=C(O)c1cccc(OCCNC(=O)c2cccc(=O)[nH]2)c1 218665910 IYGHZBIZMSATIJ-UHFFFAOYSA-N 302.286 0.882 0 50 DCAA CC[C@H](NC(=O)CCn1ccc(=O)[nH]c1=O)c1cccc(C)n1 222696338 UHYUPUUKRFGEND-LBPRGKRZSA-N 316.361 0.898 0 50 DCAA CC(C)C(=O)N[C@@H]1CCCN(C[C@@H]2CCS(=O)(=O)C2)C1 225717994 KIHLXILUPKFJIB-QWHCGFSZSA-N 302.440 0.658 0 50 DCAA O=C(O)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C(=O)NCCn1cc(Cl)cn1 226371234 HFXHXQGIWDVJDK-ZNSHCXBVSA-N 313.741 0.531 0 50 DCAA CCO[C@H]1C[C@H](O)C12CCN(C(=O)[C@H]1CSCN1)CC2 236960586 BVOAQLUUGHRSJE-WOPDTQHZSA-N 300.424 0.427 0 50 DCAA CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CC[C@H](N)C1 236992232 XSSHLAXIUWTWOQ-AAEUAGOBSA-N 315.381 0.412 0 50 DCAA Cc1nc(-c2nnc[nH]2)sc1C(=O)N1CCC[C@@H]1C(=O)O 237738567 WRISOOUTVWNZFB-SSDOTTSWSA-N 307.335 0.926 0 50 DCAA CN(CC(=O)N[C@@H]1CCCCNC1=O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 241135469 JPNYSYGHSKQWEQ-CTHBEMJXSA-N 323.437 0.517 0 50 DCAA COc1ccc(O)c(C(=O)N[C@@H]2CCN(C(C)=O)C[C@H]2O)c1 244707870 KJAGPYRGRDNKOQ-TZMCWYRMSA-N 308.334 0.112 0 50 DCAA CCOc1cccc2c1OC[C@H](C(=O)N[C@H](CO)COC)C2 252479893 BOUWTBNEEOJZBO-CHWSQXEVSA-N 309.362 0.760 0 50 DCAA COCC[C@@H]1COCCN1C(=O)CN(C)[C@H]1CCSC1 253429373 SBGCIYAKLDSGSM-OLZOCXBDSA-N 302.440 0.688 0 50 DCAA COc1ccc(OC)c2c1CN(C(=O)[C@@H]1C[C@H]1C(=O)O)C[C@H]2O 262668772 WRMNERCDWPUNNJ-FXPVBKGRSA-N 321.329 0.800 0 50 DCAA C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCO[C@H](CC(=O)O)C1 262753519 KSZKMBITORMJDL-YNEHKIRRSA-N 315.366 0.663 0 50 DCAA Cc1c(OCC(=O)Nc2ccc(C(N)=O)cc2)c(=O)ccn1C 263585924 NXNYSAVNNRXKKV-UHFFFAOYSA-N 315.329 0.810 0 50 DCAA biogenic CCOc1cc(N2C[C@H](c3cnn(C)c3)[C@@H](C(N)=O)C2)ncn1 284804660 MSJUMQSIGZWOSN-NEPJUHHUSA-N 316.365 0.314 0 50 DCAA C[C@H]1OCCN(CC(=O)N2CCc3ccccc32)[C@@H]1C(N)=O 285280777 UAFUNZCCNIBPFP-ABAIWWIYSA-N 303.362 0.150 0 50 DCAA C[C@@H](C(=O)NCc1cccs1)N1CCC[C@@](O)(C(N)=O)C1 286072595 GVCJHAHAHKMXRK-HZMBPMFUSA-N 311.407 0.065 0 50 DCAA Cc1c(S(=O)(=O)NCCc2ccc(C(=O)O)cc2)cnn1C 291888582 OHIHINVTUBPYNZ-UHFFFAOYSA-N 323.374 0.948 0 50 DCAA NC(=O)[C@@H](O)C1CCN(c2ncncc2Br)CC1 299741449 DXSHSZYOLSNMSU-VIFPVBQESA-N 315.171 0.302 0 50 DCAA COCCn1cc(NC(=O)[C@@H]2CNC[C@H]2C(F)(F)F)cn1 299745299 XRFNBAXZHLMDDJ-NXEZZACHSA-N 306.288 0.866 0 50 DCAA O=C(O)COc1ccc(N2CCN(c3ccccn3)CC2)nn1 299759153 ABGNPGCCBFDCRU-UHFFFAOYSA-N 315.333 0.662 0 50 DCAA Cc1nnc2n1CCN(C1CN(C(=O)c3cc(Cl)c[nH]3)C1)C2 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O=C(c1cccc(F)c1F)N1C[C@]2(C(=O)O)C[C@]2(C(=O)O)C1 1704305997 TUULTDMCKPHDHC-OKILXGFUSA-N 311.240 0.966 0 50 DCAA CNc1nc(C(=O)N2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)cs1 1704338398 TWISLYTTZUAJGP-BXKDBHETSA-N 321.406 0.892 0 50 DCAA COc1nc(N2CCC(c3nnc(CO)n3C)CC2)ncc1F 1772711019 VBKAUQUPCZAYOH-UHFFFAOYSA-N 322.344 0.629 0 50 DCAA CNC(=O)c1ccc(C(=O)N[C@H]2C[C@@H](Cn3cccn3)C2)cn1 1775996847 KOFPVQRLXGWYDK-BJHJDKERSA-N 313.361 0.846 0 50 DCAA CO[C@H]1C[C@@H](C(=O)NCCCc2csc(=N)[nH]2)CC[C@@H]1N 1857732285 KOHIPCHPFPEPDW-DLOVCJGASA-N 312.439 0.747 0 50 DCAA C=CC(=O)N(C)CC(=O)N[C@@H]1CS(=O)(=O)C12CCCCC2 1875370671 YFOBUNWTHKVWPH-LLVKDONJSA-N 314.407 0.247 0 50 DCAA COC(=O)/C=C/C(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 1875379552 VXRGBWJLKJSSMC-WSKFYRRCSA-N 318.329 0.646 0 50 DCAA O=C(NC[C@@H]1COCCO1)C1CC2(C1)[C@H](C(=O)O)C2(F)F 1875396923 XMLSOAXRLKCBBF-JUXCKKRKSA-N 305.277 0.264 0 50 DCAA Cc1cc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)nn1C(F)F 2100545443 VLBZTSMUDRAYCW-QWRGUYRKSA-N 314.336 0.989 0 50 DCAA CCC[C@@]1(C(=O)O)CN(C(=O)c2cc(C)nn2C)CC[C@@H]1O 2356168109 PXLRXXBWIAOKLU-SWLSCSKDSA-N 309.366 0.806 0 50 DCAA Cc1csc(CCCNC(=O)[C@@H]2CCS(=O)(=O)C2)n1 102304339 RAUMIVKNUPLQBQ-SNVBAGLBSA-N 302.421 0.935 0 50 DCAA CCSc1ncc(CN(C)[C@@H]2CS(=O)(=O)C[C@H]2O)cn1 65405536 OWAOQCWLCWXPKT-GHMZBOCLSA-N 317.436 0.178 0 50 DCAA CCNC(=O)N1CC[C@H](NC(=O)NCc2cnn(C)c2C)C1 120972363 LWVPYTCPMATBSW-LBPRGKRZSA-N 308.386 0.332 0 50 DCAA CN(C)CCN(CC(=O)O)C(=O)c1ccc2c(c1)OCCCO2 322502764 RIXUJOBUFFAMCB-UHFFFAOYSA-N 322.361 0.936 0 50 DCAA CN(C)c1cc(CN2CCC[C@@H]2c2nc(C(N)=O)no2)ccn1 328624511 CKZWUQCBUYCRAV-LLVKDONJSA-N 316.365 0.967 0 50 DCAA Cc1cnn(C)c1S(=O)(=O)NCc1nnc(C2CC2)n1C 329028580 AFXVWOMHZIJDQY-UHFFFAOYSA-N 310.383 0.213 0 50 DCAA O=C([C@@H]1COc2ccccc2O1)N1CCO[C@@H](c2ncon2)C1 329970575 VBIMLICGRLOKDK-OLZOCXBDSA-N 317.301 0.810 0 50 DCAA CNC[C@@H]1CCCN1S(=O)(=O)c1c(C)nn(C)c1Cl 237155746 VUVLJIKLDWPCGK-VIFPVBQESA-N 306.819 0.754 0 50 DCAA C[C@H](Oc1cccnc1)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 330534494 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952994270 NYHRSSPDMFAMOT-UHFFFAOYSA-N 321.424 0.160 0 50 DCAA CC1(C(=O)NCC2CCN(C(=O)CNC(N)=O)CC2)CCCC1 952984817 NPBFUXYOCSAWTA-UHFFFAOYSA-N 324.425 0.590 0 50 DCAA CCN1CC[C@H](NC(=O)c2ccc(N3CCCC3)nn2)C1=O 670037509 OAVPJNCILSUEOL-LBPRGKRZSA-N 303.366 0.427 0 50 DCAA COC[C@]1(C(N)=O)CCCN1Cc1cccc(C(=O)N(C)C)c1 643825587 SYMIKDPQAUDXEU-KRWDZBQOSA-N 319.405 0.855 0 50 DCAA COc1cccc(/C=c2\sc3nc(=O)c(C)nn3c2=O)c1 199689 YJJVBAWIPDBWQY-XFFZJAGNSA-N 301.327 0.376 0 50 DCAA Cc1ccc(S(=O)(=O)N2C[C@@H]3CNC(=O)C[C@@H]3C2)c(F)c1 1775979463 VQEKOIXUHXJYPH-MNOVXSKESA-N 312.366 0.891 0 50 DCAA N[C@@H]1C[C@H](C(=O)N2CCCN(Cc3cccs3)CC2)C[C@H]1O 1857716616 DUEQJKKAWQKDLY-NWANDNLSSA-N 323.462 0.881 0 50 DCAA OC1(Cc2ccccn2)CCN(Cc2nnnn2C2CC2)CC1 828605295 AIIYJVZFACTKMW-UHFFFAOYSA-N 314.393 0.973 0 50 DCAA Cn1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)n1 585128038 QEQCEQLZORYRJD-MNOVXSKESA-N 310.354 0.130 0 50 DCAA C[C@@H](NC(=O)[C@H]1COCCO1)c1ccc(N2CCNC2=O)cc1 843985855 HFFDRAJJWCDNCG-BXUZGUMPSA-N 319.361 0.809 0 50 DCAA O=C(c1cocn1)N1C[C@H]2CN(C(=O)c3coc(O)n3)C[C@H]2C1 2325821344 HDWIDABEKOGBJE-DTORHVGOSA-N 318.289 0.212 0 50 DCAA CC[C@]1(O)CCC[C@H]2CN(C(=O)c3nc(OC)n(C)n3)C[C@H]21 2356166727 LLXGDJCEPSXWFK-RWSFTLGLSA-N 308.382 0.837 0 50 DCAA COc1ccc(C(=O)N2C[C@H]3[C@@H](CO)[C@@H]4CC[C@@]3(C2)O4)cn1 2356169291 YLHVEGLSWGWBBC-DVZHBHJUSA-N 304.346 0.702 0 50 DCAA CN(c1cccc(C(=O)NC[C@H]2CCCO2)c1)S(C)(=O)=O 65364311 LCYVQBGIOVLNER-CYBMUJFWSA-N 312.391 0.991 0 50 DCAA CN1CC[C@@H]2OCCN(C(=O)c3snnc3C3CC3)[C@@H]2C1 329805340 KQSGWSXCVFLRQI-MNOVXSKESA-N 308.407 0.961 0 50 DCAA CC(C)(COCc1ccccc1)C(=O)N1CC[C@](O)(C(N)=O)C1 370580092 QCIKTENAIPMAMK-QGZVFWFLSA-N 320.389 0.678 0 50 DCAA C[C@@H](N)[C@@H]1CCCCN1S(=O)(=O)c1cn(C)c(Cl)n1 237402855 MCGDWHLIQPAQKX-BDAKNGLRSA-N 306.819 0.964 0 50 DCAA CCN1CCC[C@](C)(C(=O)N2CCN(c3nc[nH]n3)CC2)C1 426700090 SLJSVWNVQTWIIK-HNNXBMFYSA-N 306.414 0.575 0 50 DCAA CCOC(=O)C1=NN[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 96930566 PXMBNSUKLTVWHM-MNOVXSKESA-N 301.302 0.063 0 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DCAA O[C@@H](CN1CCOCC1)CN1CCC(C2CCOCC2)CC1 153459272 NPQAHNHRIUANLC-QGZVFWFLSA-N 312.454 0.818 0 50 DCAA CNC(=O)c1ccc(S(=O)(=O)N(C)C[C@H]2CCOC2)cc1 175059522 UFWQDRSQMDCKJW-LLVKDONJSA-N 312.391 0.703 0 50 DCAA C[C@H](NC(=O)NCCC(=O)N1CCCCCC1)c1nncn1C 194999517 UCUNNBFQKJVHOR-LBPRGKRZSA-N 322.413 0.968 0 50 DCAA COCCn1cnnc1CCNC(=O)Cc1cccc(O)c1 221253728 BBQRFDZXLUCFQJ-UHFFFAOYSA-N 304.350 0.532 0 50 DCAA CCN1CCN(C(=O)c2cc(C(C)(C)C)nc(=O)[nH]2)[C@H](C)C1=O 222398468 QOOJZHGFYXQNMJ-SNVBAGLBSA-N 320.393 0.760 0 50 DCAA O=C(Cn1cnnn1)N[C@@H]1CCOC[C@H]1Oc1cccc(F)c1 222579511 SRSDRCUNVSCTIH-CHWSQXEVSA-N 321.312 0.165 0 50 DCAA CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)CCc1ccccn1 222728170 CERVLHXIMJQPJW-HZPDHXFCSA-N 321.421 0.866 0 50 DCAA Cn1cc(S(=O)(=O)NCc2noc(C(F)(F)F)n2)cn1 225389933 VTSSYJPCSKHPKN-UHFFFAOYSA-N 311.245 0.300 0 50 DCAA COc1ccc(C(=O)CCC(=O)NC[C@@]2(O)CCNC2)cc1 244741830 NXPGTYSXJICHEZ-MRXNPFEDSA-N 306.362 0.499 0 50 DCAA COC[C@@H](NC(=O)CCCN1CCCC1=O)c1ccnn1C 244794730 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0.944 0 50 DCAA Cc1ccc(S(N)(=O)=O)cc1NC(=O)N(C)CCN(C)C 299800296 WMRVGXOELCGCCW-UHFFFAOYSA-N 314.411 0.668 0 50 DCAA CCc1onc(C)c1C(=O)N1CCC[C@@](O)(Cn2ccnn2)C1 331391894 MPOLNCSFFGBWAA-HNNXBMFYSA-N 319.365 0.804 0 50 DCAA CC1(C)CCN(C(=O)[C@@H]2C[C@@]23CCOC3)CCS1(=O)=O 333513478 FPIOKWYVNQSORT-SMDDNHRTSA-N 301.408 0.839 0 50 DCAA CN([C@@H]1CCNC1=O)S(=O)(=O)c1cccc2cnccc12 340085551 MHBBNRRNQBWJGH-GFCCVEGCSA-N 305.359 0.744 0 50 DCAA Cc1ccn2c(=O)c(C(=O)N3C[C@@H](F)C[C@H]3CO)cnc2c1 347398486 NUYJEIIMQTVAOA-QWRGUYRKSA-N 305.309 0.548 0 50 DCAA CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@]2(C)CCCOC2)o1 408095645 OROFEJPEKKJCQQ-ZDUSSCGKSA-N 316.379 0.829 0 50 DCAA CN(CCN1CCCCCC1)C(=O)NCCc1nncn1C 534640875 FDFKOWZWYVYLCX-UHFFFAOYSA-N 308.430 0.875 0 50 DCAA Cc1c(O)cccc1C(=O)N1CC[C@]2(CN(C)C(=O)CO2)C1 584893019 CWRLYXFSKSERKH-INIZCTEOSA-N 304.346 0.774 0 50 DCAA CNS(=O)(=O)c1ccc(C(=O)NCc2conc2C)cn1 585087730 LPKSUXMYXFJNCK-UHFFFAOYSA-N 310.335 0.216 0 50 DCAA CC[C@@H]1C(=O)N(CC)CCN1C[C@H](O)CC1(O)CCOCC1 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322.409 0.870 0 50 DCAA O=S(=O)(NC[C@@H](CO)Cc1ccco1)N1CCCCC1 533697485 QRAABZNZPFSVJE-LBPRGKRZSA-N 302.396 0.751 0 50 DCAA Cc1csc(S(=O)(=O)NC[C@@H]2CN(C)CCN2C)c1 451184571 AFHYEVOVANRKRI-LLVKDONJSA-N 303.453 0.581 0 50 DCAA Cc1cc(N)n(CC(=O)NCCc2noc(C(F)(F)F)n2)n1 299790519 BKHWSRZTENLSAA-UHFFFAOYSA-N 318.259 0.534 0 50 DCAA CO[C@@]12CC[C@H](O)C[C@@H]1N(CCn1c(O)nc(C)cc1=O)CC2 299760911 RYDRLPZJGPHWBF-HEHGZKQESA-N 323.393 0.262 0 50 DCAA O=C(CN1CCCC1=O)NC[C@@H]1CCCN(Cc2ncc[nH]2)C1 827831797 HXIVTJLUFIAKFV-ZDUSSCGKSA-N 319.409 0.360 0 50 DCAA CO[C@H]1COCC[C@@H]1NS(=O)(=O)CCOc1ccccc1 824506615 LFJPMVUYDVZFBF-KBPBESRZSA-N 315.391 0.789 0 50 DCAA CCO[C@H]1CCN(Cc2nc(C(=O)N3CCOCCN3)co2)C1 952847939 ANIMDMBHZOVCRD-LBPRGKRZSA-N 324.381 0.262 0 50 DCAA O=C(O)[C@@H]1CC[C@H](C(=O)NCCc2ccc3c(c2)OCO3)N1 952889271 WLZBBRNQOPVSPX-MNOVXSKESA-N 306.318 0.279 0 50 DCAA Cc1nnsc1Cn1c(=O)c(C(F)(F)F)cn(C)c1=O 1875280858 COEOBMKQBVDOLQ-UHFFFAOYSA-N 306.269 0.774 0 50 DCAA 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886095420 VVDKTPMOKDOZJF-CYBMUJFWSA-N 316.365 0.555 0 50 DCAA CCS(=O)(=O)c1ccccc1CC(=O)NC[C@H]1CCCN1 911752320 VBBBCEROKRCEFH-CYBMUJFWSA-N 310.419 0.891 0 50 DCAA Cc1cnn(CC(=O)N[C@H]2CCOC[C@H]2Nc2ccncn2)c1 952888011 BJRRDDVESIKSFR-QWHCGFSZSA-N 316.365 0.367 0 50 DCAA CNC(=O)[C@]12CCOC[C@H]1CN(c1nc(OC)ccc1F)C2 952890693 GNAKNLHLGLVCOJ-BMIGLBTASA-N 309.341 0.818 0 50 DCAA Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CC(O)C2)OCC(=O)N1C 1529155436 SKOATIVZJIAZAU-CABCVRRESA-N 304.346 0.096 0 50 DCAA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1N1CCCCC1)c1cc(O)no1 1565526015 HVBXKBOKVFNFEA-VZLIPTOUSA-N 307.350 0.752 0 50 DCAA COc1cnc([C@@H]2CCCN2C(=O)C2CN(C(C)=O)C2)nc1O 1774494647 NIUAYSIWAFETPL-NSHDSACASA-N 320.349 0.333 0 50 DCAA CCN(C)C(=O)CN1C[C@@H](OC)C[C@H]1c1nnc(O)n1CC 1775957487 XGNULLUSOQIVGP-QWRGUYRKSA-N 311.386 0.244 0 50 DCAA CN1C(=O)NCC12CN(C(=O)c1cn(-c3ccccc3)nn1)C2 1857680694 SIWHAOAHFLNWNK-UHFFFAOYSA-N 312.333 0.117 0 50 DCAA C[C@@H]1O[C@H](C)Cc2c(C(=O)N3CC(NC4COC4)C3)n[nH]c21 1875396739 TYIADFLZRXSNFA-BDAKNGLRSA-N 306.366 0.245 0 50 DCAA Cc1nc2c(c(=O)n1C)CCN(Cc1ccn3ncnc3c1)CC2 2356137182 RGXALIFDPMSRPB-UHFFFAOYSA-N 324.388 0.732 0 50 DCAA COCCN1CCC[C@@]2(CCCN2C(=O)c2cnccn2)C1=O 2356163193 RNXQSUIFNFDROY-MRXNPFEDSA-N 318.377 0.720 0 50 DCAA Cc1cnc2c(C(=O)N3CCC[C@]34CCCNC4=O)cnn2c1 2356164108 FSKFDGYWHCRYCU-INIZCTEOSA-N 313.361 0.923 0 50 DCAA CCn1ccc(CNC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)n1 2806952 ZRERVDSDFNCKEL-LLVKDONJSA-N 314.411 0.191 0 50 DCAA CCOC(=O)c1c(NC(=O)CN(C)C)sc(C(N)=O)c1C 17052434 KITBQUPEKSOGRZ-UHFFFAOYSA-N 313.379 0.832 0 50 DCAA COc1ccc(OC[C@@H](O)CN2CCN(CCO)CC2)cc1 19770862 ZGGUJDGEJUFZRU-AWEZNQCLSA-N 310.394 0.045 0 50 DCAA Cc1cc(C)n(-c2ccc(=O)n(CC(=O)NCC(C)C)n2)n1 40283598 PDZHUPYLMNRTRT-UHFFFAOYSA-N 303.366 0.818 0 50 DCAA CN1C[C@H]2CNC[C@@]2(C(=O)NCCc2nc3ccccc3[nH]2)C1 67605026 UBIIAEPSAKUONL-SJKOYZFVSA-N 313.405 0.373 0 50 DCAA COc1cc(C(=O)N2CCC[C@@]3(CCNC3)C2)nc(OC)n1 67822138 XLMJVVRJNNGNBX-HNNXBMFYSA-N 306.366 0.710 0 50 DCAA CC(C)n1cnnc1[C@@H](C)NC(=O)c1cn2c(n1)CNCC2 72138995 WPHKYEVBPYQZRH-SNVBAGLBSA-N 303.370 0.650 0 50 DCAA COc1cc(N2CCOC[C@@](O)(CN3CCCC3)C2)ncn1 77299891 ZPTQRPVWIMGDGC-OAHLLOKOSA-N 308.382 0.149 0 50 DCAA Cc1nc2ccc(CC(=O)N3CCN(CCO)CC3)cc2[nH]1 97551406 MFSBUEFFKCEPJO-UHFFFAOYSA-N 302.378 0.550 0 50 DCAA Cc1[nH]nc(CCC(=O)NCCN2CCC[C@H](C(N)=O)C2)c1C 97766555 STOAOIGHSHVVNM-ZDUSSCGKSA-N 321.425 0.273 0 50 DCAA Cc1nnc(CN(C)CC(=O)N2CCCC[C@@H]2[C@@H](C)N)n1C 122122010 DTIZQLDVXOWDTN-DGCLKSJQSA-N 308.430 0.284 0 50 DCAA CNS(=O)(=O)[C@H]1CCN(Cc2ccc(-n3ccnc3)nc2)C1 156115827 ASZVCOIFTAKYHB-ZDUSSCGKSA-N 321.406 0.391 0 50 DCAA O=C1NCCc2ccc(S(=O)(=O)N3CCC[C@H](O)C3)cc21 158005884 CNXQZVSVXBCHCE-NSHDSACASA-N 310.375 0.118 0 50 DCAA CC(=O)N1CC[C@@H](C(=O)Nc2cncnc2N2CCCC2)C1 180489082 QEBPAJGDDATCOZ-GFCCVEGCSA-N 303.366 0.884 0 50 DCAA COC[C@H](C)n1ccc(NC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)n1 189793611 BBZLYDKZEZIBPA-WDEREUQCSA-N 321.381 0.975 0 50 DCAA CNC(=O)CN1CCN(Cc2ccc(Cl)cc2F)CC1=O 225450169 MHERFXIICUFANB-UHFFFAOYSA-N 313.760 0.869 0 50 DCAA CN(CCCC(=O)O)C(=O)Cc1ccc(-n2cnnn2)cc1 237267478 QNKVBFIBTGFHME-UHFFFAOYSA-N 303.322 0.528 0 50 DCAA Cc1nc(CC(=O)N2C[C@H]3CCN(C)C[C@@]3(C(=O)O)C2)cs1 248157314 WAWKOYAPSDTJOA-IAQYHMDHSA-N 323.418 0.859 0 50 DCAA CN(C)[C@@H]1CCCN(C(=O)Cn2c(=O)cnc3ccccc32)C1 264420531 NXZQRIQPXQSUMC-CYBMUJFWSA-N 314.389 0.949 0 50 DCAA Cc1cc(CC(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)no1 265144712 SZFFCTTXXYWWPP-CQSZACIVSA-N 321.377 0.765 0 50 DCAA Cc1ccnc(N2CCC[C@@](O)(C(N)=O)C2)c1Br 284530491 GEOLOZWIQVQWTF-LBPRGKRZSA-N 314.183 0.969 0 50 DCAA O=C(NCCNC(=O)c1cccnc1)NC[C@@H]1CCCCO1 299210106 HZUBJUCKUZHWFQ-ZDUSSCGKSA-N 306.366 0.680 0 50 DCAA CCCc1noc(CN2CCC[C@@H](n3cnc(C(N)=O)n3)C2)n1 299744209 NXMJBXXBELEWJX-SNVBAGLBSA-N 319.369 0.550 0 50 DCAA C[C@@H]1CCCN(S(=O)(=O)c2cn(C)c(Cl)n2)[C@H]1CN 328599874 UGXAYAPBFPXFKH-BDAKNGLRSA-N 306.819 0.821 0 50 DCAA O=C1CC[C@H](C(=O)N2CCOC[C@@H]2c2nc[nH]n2)n2cccc21 328859667 ADYGCBSYZIOROD-VXGBXAGGSA-N 315.333 0.724 0 50 DCAA CC(=O)N1CCN(C(=O)Cn2cnc3c2C[C@H](C)[C@@H](C)C3)CC1 333740341 VRYIKIAFODKATB-STQMWFEESA-N 318.421 0.945 0 50 DCAA COCCOc1cccc(C(=O)NC(C)(C)c2nn[nH]n2)c1 359792421 RVQSGYDNAUCLDY-UHFFFAOYSA-N 305.338 0.890 0 50 DCAA COCc1ccccc1CNC(=O)[C@H]1C[C@@H](O)CN1C(C)=O 365112932 WKOGXCZAGJYMJW-HUUCEWRRSA-N 306.362 0.431 0 50 DCAA CN1CC(=O)N(CC(=O)N2CCOC[C@H]2c2ccco2)C1=O 365367441 SJJAUWVSWLLFAY-JTQLQIEISA-N 307.306 0.074 0 50 DCAA CC1=C(C(N)=O)[C@H](c2ccc(Cl)cc2)N2NC(CO)=NC2=N1 390834976 YNNBOJJRPDGPBS-LBPRGKRZSA-N 319.752 0.721 0 50 DCAA CC(C)C[C@@H]1C(=O)NCCN1C(=O)[C@H]1CCc2cncn2C1 408523082 ORUGOLSWZHUIDQ-GXTWGEPZSA-N 304.394 0.819 0 50 DCAA Cc1cccc(CN2CCN(C(=O)Cn3ccnn3)CC2=O)c1 426523466 MXFFSYJLOLUGSO-UHFFFAOYSA-N 313.361 0.458 0 50 DCAA CN1C(=O)C[C@H](C(=O)O)C12CCN(C(=O)C1CC=CC1)CC2 426535934 RNCNVPMNKZCXMH-GFCCVEGCSA-N 306.362 0.877 0 50 DCAA Cn1nnc(-c2ccc(C(=O)N3CCCC[C@@H]3C(=O)O)cc2)n1 426649728 QPPJRDZATLOLAN-GFCCVEGCSA-N 315.333 0.956 0 50 DCAA COCCN1C(=O)[C@@H](C(N)=O)[C@H]2C[C@@]1(C)Oc1ccccc12 604404024 IJOTZXAPZARTPF-NORZTCDRSA-N 304.346 0.859 0 50 DCAA biogenic NC(=O)[C@H]1COCCN1Cc1cnc(-c2ccccn2)s1 639218517 KNXRLMWDBZKEHK-GFCCVEGCSA-N 304.375 0.891 0 50 DCAA CS(=O)(=O)NCCC(=O)NCc1ccc2nsnc2c1 670437316 CWUBPKRBLSDXIZ-UHFFFAOYSA-N 314.392 0.247 0 50 DCAA CN(CCCCN1CCOCC1)S(=O)(=O)c1cccnc1 670450961 IFKFIMMZAMCTGS-UHFFFAOYSA-N 313.423 0.815 0 50 DCAA CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(C)c2cn[nH]c12 684419291 KYCDMCVWTUCHLK-ZWNOBZJWSA-N 302.334 0.792 0 50 DCAA O=C(NS(=O)(=O)[C@H]1CCNC1)c1nccc2ccccc12 901109898 IRKHGLQTDZEQMN-NSHDSACASA-N 305.359 0.656 0 50 DCAA Cc1cc(C(=O)O)c(F)c(S(=O)(=O)N2CC[C@@H]2CO)c1 907121453 PJCAUJYRVPRBCZ-MRVPVSSYSA-N 303.311 0.588 0 50 DCAA C[C@H](O)CN(C)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O 952879675 GIOSDEPMVJSQHS-NWANDNLSSA-N 308.378 0.681 0 50 DCAA O=C(CN1CCN(C2CC2)C1=O)Nc1c[nH]nc1[C@@H]1CCNC1 952891075 VNYPSSCEBRLBAT-SNVBAGLBSA-N 318.381 0.325 0 50 DCAA CCOc1cc(N2CCO[C@H](CN3CCOCC3)C2)ncn1 952992267 CHWYLEQERAUWTI-CYBMUJFWSA-N 308.382 0.413 0 50 DCAA O=C1CO[C@H](C(=O)N2CCC(F)CC2)[C@@H](c2cccnc2)N1 1529195889 PLHAPRPWRNBJQS-KGLIPLIRSA-N 307.325 0.598 0 50 DCAA O=C(C1CC1)N1C[C@@H]2CN(Cc3cscn3)C[C@]2(C(=O)O)C1 1565509059 GEAGFRTXGSECJO-NHYWBVRUSA-N 321.402 0.898 0 50 DCAA COc1cc(OC)nc(N2CCC[C@@](CO)(CN(C)C)C2)n1 1772711556 ZEUJDRXJEKEITQ-OAHLLOKOSA-N 310.398 0.634 0 50 DCAA COc1nc2c(cc1C(=O)N1CCC([C@H](O)CO)CC1)CCC2 1772711970 ZCBMMJARWWGVNT-OAHLLOKOSA-N 320.389 0.784 0 50 DCAA CN1N=C(C(=O)N[C@H]2CCC[C@H]2Oc2cn[nH]c2)CCC1=O 1775958052 ZSVLAGUQOKDLEK-CMPLNLGQSA-N 305.338 0.434 0 50 DCAA CN(CCN1CCCC1=O)S(=O)(=O)C1C[C@H]2[C@H](C1)C2(F)F 1775991689 TUDAYDFFVNATQU-QWRGUYRKSA-N 322.377 0.914 0 50 DCAA CN1CCn2[nH]c(=NC(=O)CCc3ccc(O)cc3)cc2C1=O 1857528020 WFPHDKDLTIMOCV-UHFFFAOYSA-N 314.345 0.668 0 50 DCAA C[C@H]1OC2(CCN(S(=O)(=O)c3ccns3)CC2)NC1=O 2325766151 HLFQUDFNPDHIGB-MRVPVSSYSA-N 317.392 0.159 0 50 DCAA CN1CCC[C@H]1C(=O)N1CCN(C(=O)C[C@H](N)C(C)(C)C)CC1 2325795480 HZPFRCOUQKOPOK-KBPBESRZSA-N 324.469 0.515 0 50 DCAA Cc1nnsc1C(=O)N1CCC(O)(c2cncnc2)CC1 2325848362 DUYZTJDUHNJTOP-UHFFFAOYSA-N 305.363 0.760 0 50 DCAA COC(=O)[C@@H]1C[C@H]1[C@H](C)NC(=O)c1cnc2[nH]nc(O)c2c1 2325876586 ZYPMWPLHCUZCTQ-CNUIFLNQSA-N 304.306 0.591 0 50 DCAA COc1ccc(CCN[C@@H]2CC(=O)N(N(C)C)C2=O)cc1OC 4696739 KHNAOEVGILNIHZ-GFCCVEGCSA-N 321.377 0.440 0 50 DCAA COc1cc(F)c(S(=O)(=O)N2CCOCC2)cc1OC 4751803 ZPCVOHKSWDFQGG-UHFFFAOYSA-N 305.327 0.864 0 50 DCAA Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N(C)C 10753644 QLMRLHQHMKSNOS-SNVBAGLBSA-N 301.368 0.533 0 50 DCAA CCc1cc(CC)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2C)n1 12518804 MBJYILWXLYNWNI-UHFFFAOYSA-N 316.365 0.281 0 50 DCAA CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3ncnn32)cc1 13123861 SATBBVIFHHXXOD-LLVKDONJSA-N 314.305 0.759 0 50 DCAA CS(=O)(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1 16604643 ZIWSNDQDGSAEAA-UHFFFAOYSA-N 300.355 0.472 0 50 DCAA CN1CCN2CCN(Cc3ccc4c(c3)CCO4)C[C@@H]2C1=O 65403789 OQGGVSUYDQBUIJ-OAHLLOKOSA-N 301.390 0.580 0 50 DCAA CC[C@@]1(O)CCN(C(=O)c2sc(OC)nc2C)C[C@H]1O 72457106 LWWULYITRLNZJD-NOZJJQNGSA-N 300.380 0.808 0 50 DCAA O=C(CCn1c(CO)nc2ccccc21)N1CCOC[C@@H](O)C1 77489996 FCDFNYMHJGHXKF-LBPRGKRZSA-N 319.361 0.138 0 50 DCAA COc1nc2c(cc1C(=O)N[C@H]1C=CS(=O)(=O)C1)CCC2 91656311 SZMCQAQFANYZDB-JTQLQIEISA-N 308.359 0.619 0 50 DCAA COc1cccc2c1OC[C@H](CNC(=O)C1=NNC(=O)CC1)C2 95499389 QRLHSHGLRCMHTC-JTQLQIEISA-N 317.345 0.629 0 50 DCAA COc1c(CNC(=O)N2CC[C@@H](CN(C)C)C2)c(C)nn1C 130578311 ITAGMSDLVOILLK-LBPRGKRZSA-N 309.414 0.830 0 50 DCAA CN(CC(=O)O)C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 153138792 OVDIBFNJFPRUBR-CQSZACIVSA-N 306.362 0.821 0 50 DCAA CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)NCC(F)(F)F 170081382 VWTDZPDZRKGZPX-HTQZYQBOSA-N 317.333 0.708 0 50 DCAA COC(=O)CCNC(=O)c1ccc(C)c(C)c1-n1cnnn1 170625445 AOLVECYUOIWBHI-UHFFFAOYSA-N 303.322 0.572 0 50 DCAA Cn1cc(CN2CCO[C@H](C(N)=O)C2)c(-c2cccs2)n1 179941027 SUAZDXXVHJKFFZ-NSHDSACASA-N 306.391 0.835 0 50 DCAA CC(=O)NC[C@H]1CN(c2nnc(-c3ccccn3)s2)CCO1 185719374 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MPZOORUXGMOWDU-JTQLQIEISA-N 301.346 0.275 0 50 DCAA Cc1nc(C(C)C)oc1Cn1cc(CN2CCNC(=O)C2)nn1 899722378 UVHLXXFXVLKAPI-UHFFFAOYSA-N 318.381 0.678 0 50 DCAA O=C(O)[C@H](NS(=O)(=O)[C@H]1CCOC1)c1ccc(F)cc1 905194201 DPSBDMAQJPHKGV-WDEREUQCSA-N 303.311 0.660 0 50 DCAA COc1cc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)ccc1OC(C)=O 99298 FHVNLQKHFIHMQR-UHFFFAOYSA-N 319.273 0.249 0 50 DCAA CCNC(=O)COc1ccc(S(=O)(=O)NC(C)C)cc1 469843 WERAPKOILAWRDR-UHFFFAOYSA-N 300.380 0.888 0 50 DCAA COC1(CN(C)C)CCN(C(=O)c2cn3cccnc3n2)CC1 2356143364 DWEFEFNTIAOGPQ-UHFFFAOYSA-N 317.393 0.912 0 50 DCAA CN1C(=O)C[C@@H](NCCOCC(F)(F)F)[C@@H]1c1ccnn1C 346739162 NGENYLSOBFHAMC-BXKDBHETSA-N 320.315 0.860 0 50 DCAA CC(=O)N[C@H]1CCCN(C(=O)CN2CCOCC23CCC3)C1 135512041 WCWFOMICMUACTH-AWEZNQCLSA-N 309.410 0.368 0 50 DCAA Cn1cc(C(=O)NS(=O)(=O)c2cncc(Cl)c2)cn1 119346370 UNWGWODUWGQCSM-UHFFFAOYSA-N 300.727 0.587 0 50 DCAA Cc1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCNCC3)cc12 65365492 GDLKAEWEOHFCHW-UHFFFAOYSA-N 307.375 0.430 0 50 DCAA 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Cc1[nH]nc(C(=O)N2CCCNC(=O)[C@@H]2C)c1Br 1771964522 UMFFTDNAPDGZNC-ZETCQYMHSA-N 315.171 0.831 0 50 DCAA Cc1ncccc1CC(=O)N[C@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 888095083 IFDSBCYKOVJZNX-VBQJREDUSA-N 317.389 0.875 0 50 DCAA O=S(=O)(N[C@H]1CCNC[C@@H]1O)c1cc(F)c(F)cc1F 1565512599 ZLWUSMLMHHLUBJ-UWVGGRQHSA-N 310.297 0.105 0 50 DCAA CCN(CC)S(=O)(=O)CCNS(=O)(=O)c1ccco1 170602868 HQSXUCSICFUZFH-UHFFFAOYSA-N 310.397 0.230 0 50 DCAA CN1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@H](C(=O)NCC2CC2)C1 585121117 GLBREAZSHWFBRJ-JJRVBVJISA-N 323.437 0.206 0 50 DCAA NC(=O)[C@@]1(O)CCCN(c2cnc3cc(F)c(F)cc3n2)C1 225476086 QLSKGSWZILREDC-CQSZACIVSA-N 308.288 0.725 0 50 DCAA Cn1ncc(Cl)c1C(=O)N1C[C@@H](O)[C@H](Cc2cnccn2)C1 1704356085 ZTUJZNRWFJNUQV-BXKDBHETSA-N 321.768 0.539 0 50 DCAA N[C@@]12CCC[C@H]1CN(C(=O)c1ccc(Cn3ccnn3)o1)C2 1615549074 VAKYMRWGNPTENI-XHDPSFHLSA-N 301.350 0.873 0 50 DCAA CCn1nc(C)c(CNC(=O)c2cnc(C(N)=O)cn2)c1C 1772703077 XSLHGLSFJUPLKU-UHFFFAOYSA-N 302.338 0.339 0 50 DCAA O=C(CCc1ccc(O)cc1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1857715367 OOQSRRGSHMVURK-PBHICJAKSA-N 316.357 0.885 0 50 DCAA COC(=O)c1ccc(CNC(=O)[C@H]2CCc3ncnn3C2)cc1 1857721148 BSNRBZKDBWMNOU-ZDUSSCGKSA-N 314.345 0.944 0 50 DCAA Cc1noc(C)c1C(=O)N1CC[C@@]23OCCCN2C(=O)C[C@@H]13 1857721789 GEHAMCHCWLOVIL-ABAIWWIYSA-N 305.334 0.855 0 50 DCAA O=C([C@@H]1CCn2nccc2C1)N1CCC(N2CCOC2=O)CC1 1857730766 WOZUTOOLAHLFOC-GFCCVEGCSA-N 318.377 0.889 0 50 DCAA COc1ccc(CCNC(=O)CN2CCCC[C@@H](O)C2=O)cc1 644241753 MNXDINZTJZWCOP-OAHLLOKOSA-N 320.389 0.727 0 50 DCAA C[C@@]12COC[C@@H]1CN(S(=O)(=O)c1ccc(C(=O)O)nc1)C2 656729791 PUEYFQXYVQHIFQ-TVQRCGJNSA-N 312.347 0.437 0 50 DCAA CN1CCC(OCC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)CC1 934524725 SXYLNTRAKZYXFF-CABCVRRESA-N 312.410 0.504 0 50 DCAA COC(=O)[C@@H]1SC[C@H]2C(=O)N(Cc3ccccc3)CC(=O)N12 3048332 VCXUJZJMURAMLH-FZMZJTMJSA-N 320.370 0.472 0 50 DCAA O=c1c2ccccc2ncn1C[C@]1(O)C[C@H]2NCCC[C@H]2O1 40408992 YLYLCQRQSRDSQR-FMKPAKJESA-N 301.346 0.626 0 50 DCAA biogenic,in-vitro 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YFYUSTBRNRWZSI-ZDUSSCGKSA-N 308.378 0.115 0 50 DCAA CC(C)n1cncc1CN1CCN(CCN(C)C)C[C@H](O)C1 97756323 IRXIFVVQWLQTTQ-INIZCTEOSA-N 309.458 0.504 0 50 DCAA O=C(CCO)N1CCN(c2ncnc3sccc23)C[C@@H](O)C1 97773018 BYMHJYLDWXUDIC-JTQLQIEISA-N 322.390 0.083 0 50 DCAA C[C@@H]1CS(=O)(=O)CCN1CC(=O)N(C)C1CCCCC1 172422655 PWQHTGTYIVZEQF-GFCCVEGCSA-N 302.440 0.896 0 50 DCAA Cn1nc2c(cc1=O)CN(C(=O)c1cccc3cn[nH]c13)CC2 174452768 NOKVWSLOFPBBLL-UHFFFAOYSA-N 309.329 0.855 0 50 DCAA Cc1c(C(=O)N2CCNC(=O)[C@H]2Cc2ccccc2)cnn1C 215097514 MWYYDJQQKZMYFU-OAHLLOKOSA-N 312.373 0.912 0 50 DCAA COc1cc(N2CC[C@H]3[C@H](CCC(=O)N3CCCO)C2)ncn1 215297964 FMUNYDATCFRKHS-OLZOCXBDSA-N 320.393 0.685 0 50 DCAA Cc1cccc(OCC(=O)N[C@@H]2CCOC[C@H]2OCC(=O)O)c1 222408498 WQEDPUUTGMLADP-ZIAGYGMSSA-N 323.345 0.749 0 50 DCAA CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@@H](O)CN1CCNC(=O)C1 229105459 VVRFGCUBRAGVRF-SOUVJXGZSA-N 308.422 0.788 0 50 DCAA NC[C@H]1CCCN1C(=O)/C=C/c1ccc(OCC(N)=O)cc1 238045634 WTUOCBGWXBZZAU-OQHXTRMZSA-N 303.362 0.514 0 50 DCAA 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CC(C)[C@H](N)C(=O)N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 236726031 SUFRHHRTGXEEEU-XHSDSOJGSA-N 310.486 0.987 0 50 DCAA CC(C)(C)OC(=O)Nc1nc2c(ncn2CC(=O)O)c(=O)[nH]1 238091501 CALJQZKJKDPZDN-UHFFFAOYSA-N 309.282 0.551 0 50 DCAA COCc1nnc(NC(=O)CN2CCCO[C@@H](C)C2)s1 252495415 OPYIEEQFZNKZGG-VIFPVBQESA-N 300.384 0.734 0 50 DCAA Cc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@H]3C(=O)O)C2=O)cc1 262453258 WUCMYCXUTIUOCB-UPJWGTAASA-N 302.330 0.937 0 50 DCAA C[C@H]1CN(c2ccnc(C(=O)NCCC(=O)O)c2)C[C@@H](C)O1 263566746 GFGWKEYIILAKKB-PHIMTYICSA-N 307.350 0.900 0 50 DCAA Cn1cc(C(=O)CCC(=O)N[C@@H]2CCCC[C@H]2C(N)=O)cn1 279840426 JNHAIZXPLIHATG-VXGBXAGGSA-N 306.366 0.543 0 50 DCAA CN1CCO[C@@H]2CCN(C(=O)c3cn4ccccc4n3)C[C@@H]21 284157437 QSOAKLQPAWLYCO-UONOGXRCSA-N 300.362 0.879 0 50 DCAA Cc1ccc(CNC(=O)CN2CC[C@@H](N(C)CCO)[C@H]2C)cc1 292470712 RHQBJFUPBSEEAH-NVXWUHKLSA-N 319.449 0.998 0 50 DCAA Cc1n[nH]c(C(=O)N2CCN(CCC(=O)O)CC2)c1Cl 299763046 ZCQXUXVTJJLCRV-UHFFFAOYSA-N 300.746 0.604 0 50 DCAA 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301.393 0.432 0 50 DCAA O=C1C[C@H](CC(=O)N2CCC(c3nnc(O)o3)CC2)CCCN1 1875332725 GVNKEILAABBPTE-SNVBAGLBSA-N 322.365 0.788 0 50 DCAA Cn1cnnc1SCc1nc(N)nc(N2CCCCC2)n1 1424490 YTHVYHDJCBHCKG-UHFFFAOYSA-N 306.399 0.865 0 50 DCAA O=C(O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1 3191629 HTUYDXHLCOKELV-UHFFFAOYSA-N 301.320 0.171 0 50 DCAA CC1=NNc2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1 9060315 YQDSXTVRGSEOQI-UHFFFAOYSA-N 324.344 0.746 0 50 DCAA COc1ccc(Nc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 17223894 RICCWHOMSSUHEU-UHFFFAOYSA-N 301.306 0.713 0 50 DCAA O=S1(=O)CC[C@@H](Nc2ncc(F)c(N3CCOCC3)n2)C1 65394820 LRIXPLRLUHWJQC-SECBINFHSA-N 316.358 0.051 0 50 DCAA CN1[C@H](C(=O)O)C[C@H](C(=O)N2CC(O)C2)[C@@H]1c1ccccc1F 67654992 JQRRIUYNFMUSCL-UBHSHLNASA-N 322.336 0.475 0 50 DCAA CCN(CC)c1ccc(C(=O)N2C[C@@H](N)C[C@H]2C(=O)NC)cc1 67714770 RNEVDGROEDKRCK-ZFWWWQNUSA-N 318.421 0.821 0 50 DCAA CCN(Cc1c(CO)cnc(C)c1O)[C@@H]1CCS(=O)(=O)C1 67820121 KVJNZSKOYSLZEF-GFCCVEGCSA-N 314.407 0.597 0 50 DCAA 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CN(C)S(=O)(=O)c1cc2c3c(cccc3c1)C(=O)NC2=O 1926359 CSSMUQJPNRCYDZ-UHFFFAOYSA-N 304.327 0.974 0 50 DCAA COC(=O)[C@H](C)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2112973 VFSGAXLCYJEFEL-TUAOUCFPSA-N 319.361 0.539 0 50 DCAA biogenic Cn1nnnc1[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)CCO1 2356136530 YGNOZIVNRZSLGH-NSHDSACASA-N 309.276 0.702 0 50 DCAA NC(=O)Cc1nc(-c2ccc3cccc(F)c3n2)n(CCO)n1 2356146569 LXFQVUWMZAIRGB-UHFFFAOYSA-N 315.308 0.653 0 50 DCAA CC[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)O 4070940 IBEKICGYLZCGQM-SECBINFHSA-N 301.320 0.599 0 50 DCAA CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C)on2)C1 6743132 DQEOKBFMWSUHDP-SNVBAGLBSA-N 301.368 0.983 0 50 DCAA CN(C)S(=O)(=O)CCNC(=O)c1cc(=O)c2ccccc2o1 67842478 QNWBIQXRPXBPBG-UHFFFAOYSA-N 324.358 0.414 0 50 DCAA Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cn1 252671857 OLRZRQYPOUXKPK-VGWMRTNUSA-N 318.421 0.581 0 50 DCAA NC(=O)NCc1cn(CC2CCN([C@@H]3CCSC3)CC2)nn1 20406855 WUMHKNMRODCMBH-CYBMUJFWSA-N 324.454 0.664 0 50 DCAA 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CC1(C)COc2c(C(=O)N3CC[C@](O)(C(N)=O)C3)cccc21 286495525 MWNTZROQTUQCHV-MRXNPFEDSA-N 304.346 0.419 0 50 DCAA C[C@@](O)(CNS(=O)(=O)c1ccc2c(c1)CCCO2)C(=O)O 263504490 VAUZVZLBUJHESX-CYBMUJFWSA-N 315.347 0.126 0 50 DCAA Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)NCc2cccnc2N)n1 220511367 AHIOVCPLXXPADT-VIFPVBQESA-N 319.390 0.853 0 50 DCAA CS(=O)(=O)c1ccc(Br)c(S(N)(=O)=O)c1 48902844 HDAHMRHKSZQQSQ-UHFFFAOYSA-N 314.182 0.500 0 50 DCAA COCCOCCS(=O)(=O)N1C[C@@H](CO)c2ccccc21 292816499 TZUVWPSELVRJHU-LBPRGKRZSA-N 315.391 0.575 0 50 DCAA C[C@@H](C(=O)N1CCN(c2nc[nH]n2)CC1)n1cc(Cl)cn1 426471058 UXTMLOWKVVLSDY-VIFPVBQESA-N 309.761 0.564 0 50 DCAA CCN1CCC[C@](C)(C(=O)NCCc2cc(=O)[nH]c(C)n2)C1 95363461 VYIMZCUBASSPET-INIZCTEOSA-N 306.410 0.859 0 50 DCAA O=S(=O)(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)N1CCCC1 252536842 JQXXCALKPUIRJZ-YRGRVCCFSA-N 311.407 0.824 0 50 DCAA CCOc1ccc(S(=O)(=O)N[C@H]2CCCNC2=O)cc1C 534588234 YUVUSEISICYREO-LBPRGKRZSA-N 312.391 0.951 0 50 DCAA Cc1cnn(CCNC(=O)CC[C@H](C)N2CCN(C)CC2)c1 534590926 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907352585 ITHABDIIZMFGEC-LLVKDONJSA-N 310.383 0.428 0 50 DCAA NC(=O)[C@]12CCC[C@H]1CN(S(=O)(=O)C[C@@H]1CCCCO1)C2 907558851 YDYUXEHGPUCPBH-OBJOEFQTSA-N 316.423 0.473 0 50 DCAA COCC[C@@H](C)CNC(=O)C(=O)NC1CC2(CO[C@@H](C)C2)C1 930844082 ZHHNHQDKLHTZPA-MAHYQRQESA-N 312.410 0.849 0 50 DCAA O=C(c1ccc(OCF)cc1)N1CCO[C@H](c2nc(=O)o[nH]2)C1 2325821957 PSZHHPOOOBQGFL-NSHDSACASA-N 323.280 0.882 0 50 DCAA N=c1ccn(C2CN(C(=O)c3nc(=O)c4ccccc4[nH]3)C2)[nH]1 2325878417 OLSZPFOZYXOHNZ-UHFFFAOYSA-N 310.317 0.229 0 50 DCAA COc1ccccc1O[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 1144778 JPTZUPQZBMEEBB-GHMZBOCLSA-N 313.375 0.766 0 50 DCAA COc1ccc(CNC(=O)CSc2nncc(=O)[nH]2)cc1 11905433 QYJPFMZQXQYVCK-UHFFFAOYSA-N 306.347 0.582 0 50 DCAA CS(=O)(=O)N[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 12711782 IRPUGKKNGCEDBK-LBPRGKRZSA-N 300.355 0.518 0 50 DCAA COCCN(Cc1cnn(C)c1)C(=O)[C@@H](N)Cc1ccccc1 55154724 WKRAQXIXIFYGMH-INIZCTEOSA-N 316.405 0.965 0 50 DCAA COc1cccc(CNN(C)C)c1OCCN1CCOCC1 67601812 YTKVOXXBJVRKAQ-UHFFFAOYSA-N 309.410 0.972 0 50 DCAA CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ccc(N)nc1 67643275 FBWQSWILLMHYJU-RYUDHWBXSA-N 305.382 0.074 0 50 DCAA CC(=O)c1ccc(OCC(=O)N2CCOC[C@@H](CO)C2)cc1 77284866 AOTTYAWFPATSOI-CYBMUJFWSA-N 307.346 0.735 0 50 DCAA O[C@]1(CN2CCc3c([nH]c4ccccc34)C2)CNCCOC1 77470215 FLWXECGHJMOGDZ-KRWDZBQOSA-N 301.390 0.877 0 50 DCAA Cc1cnccc1N1CCCN(C(=O)CN2CCOC2=O)CC1 82107989 NJDJSHMSFDXWQK-UHFFFAOYSA-N 318.377 0.881 0 50 DCAA CCN1CC[C@@]2(CCC1=O)CN(Cc1nnc(C)o1)CCN2C 91620278 DSNVXGCVDCXFND-INIZCTEOSA-N 321.425 0.897 0 50 DCAA CN(C)[C@H](C(=O)NCc1cc(=O)[nH]cn1)c1cccc(F)c1 95384102 LBGNPDFYYOWNDE-AWEZNQCLSA-N 304.325 0.828 0 50 DCAA COCn1ccnc1CN1CCN(C)[C@]2(CCNC(=O)CC2)C1 107682414 KUBDWLKMJQRQKZ-MRXNPFEDSA-N 321.425 0.273 0 50 DCAA O=C(O)C1(CNS(=O)(=O)c2cccs2)CCOCC1 138142629 PJIFOPSHFDCIOC-UHFFFAOYSA-N 305.377 0.908 0 50 DCAA NC(=O)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3CC[C@H]2O3)cc1 138721096 HUZGLMDYNJJDJB-WISYIIOYSA-N 304.302 0.602 0 50 DCAA CC[C@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C1 156520088 AALIFDOENZQBHM-VIFPVBQESA-N 323.374 0.637 0 50 DCAA Cn1cc(N2CCN(CC(=O)Nc3nccs3)CC2)cn1 174925306 NLGCOHBYWUASCC-UHFFFAOYSA-N 306.395 0.637 0 50 DCAA N[C@@H]1CCN(Cc2ccccc2OCCN2CCOCC2)C1 215052180 BRFRDPZJWVVEJV-MRXNPFEDSA-N 305.422 0.931 0 50 DCAA CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NN1CCN(C)CC1)[C@@H]2C(=O)O 225746269 CDEOFGHMHCLJDG-QHSBEEBCSA-N 321.421 0.958 0 50 DCAA Cc1ccc(OC[C@H](O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1 241590547 PFVAYWOZNQFHPX-UONOGXRCSA-N 313.419 0.854 0 50 DCAA COCCn1cncc1CNc1cc([C@H]2C[C@@H](O)C2)nc(N)n1 244899616 ZMWFYGWXBHZGAY-KLPPZKSPSA-N 318.381 0.752 0 50 DCAA OC[C@@H]1O[C@H](Nc2cccc3ccccc23)[C@H](O)[C@H](O)[C@H]1O 245377328 JRKZPBBOEFJXRA-RBZJEDDUSA-N 305.330 0.052 0 50 DCAA CN(CC(=O)NCc1ccccc1F)C1(CO)CCOCC1 252491190 LIXYJCSUVPXCJF-UHFFFAOYSA-N 310.369 0.915 0 50 DCAA CC[C@@H]1CO[C@@H](C)CN1C(=O)c1cn(C2CCNCC2)nn1 261940304 LHHYKNLOBPZHGP-NWDGAFQWSA-N 307.398 0.842 0 50 DCAA Cc1ccc(N2C[C@H](C(=O)NC[C@@](C)(O)C(=O)O)CC2=O)cc1 262422042 AUWDSVROSHZSEW-BDJLRTHQSA-N 320.345 0.300 0 50 DCAA NC(=O)COc1cccc(CNC(=O)[C@@H]2CC(F)(F)CN2)c1 263110606 AHMHHIRDHVFDBD-NSHDSACASA-N 313.304 0.164 0 50 DCAA CCn1nccc1CN[C@@H]1CCCN(c2nccn(C)c2=O)C1 275726673 ZLPSLOPKNCFBQR-CYBMUJFWSA-N 316.409 0.755 0 50 DCAA Cc1cc(CNC(=O)N2CCN(c3ncccn3)CC2)n(C)n1 284304684 UOMHBBWFKZCLBI-UHFFFAOYSA-N 315.381 0.550 0 50 DCAA CCc1ncnc(N2CCC[C@](O)(Cn3ccnn3)C2)c1F 284759653 OQXVPWPLNUTTBN-CQSZACIVSA-N 306.345 0.801 0 50 DCAA CC(C)n1ccnc1CN1CCC[C@H](n2cnc(C(N)=O)n2)C1 299742052 GOSLGOZIKPGESE-LBPRGKRZSA-N 317.397 0.992 0 50 DCAA CN1C[C@H](NC(=O)Cc2noc3ccccc23)C[C@H]1C(=O)O 299756414 DSDHTZBKDGIWHR-SKDRFNHKSA-N 303.318 0.644 0 50 DCAA CC1(C)SC[C@H](C(=O)NCCc2noc(C3CC3)n2)NC1=O 299787500 MOFGONHBQNTKNQ-SECBINFHSA-N 324.406 0.616 0 50 DCAA CCS(=O)(=O)NCCN1C[C@H](OC)C[C@@H]1c1nc(C)no1 328630869 QIUFPHAAZXYZFG-GHMZBOCLSA-N 318.399 0.079 0 50 DCAA O=S(=O)(CC[C@H]1CCCO1)NC[C@H]1CCn2ccnc2C1 328639757 XBYOFKCPQZLLNU-QWHCGFSZSA-N 313.423 0.934 0 50 DCAA O=C(c1nnc2ccccc2n1)N1CCC[C@H]1Cn1ccnn1 329181649 NMGSZXFFJFIHIS-NSHDSACASA-N 309.333 0.921 0 50 DCAA C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1CC(=O)N1CCNC1=O 346704586 YJTREFAOQGAEDD-WWGRRREGSA-N 309.410 0.944 0 50 DCAA Cn1cc(-c2nc(C(=O)NCC3(O)CCOCC3)cs2)cn1 358320773 IIEJJBKBESDDST-UHFFFAOYSA-N 322.390 0.815 0 50 DCAA CN(C)C(=O)CN1CCCN(C(=O)Cc2ccsc2)CC1 361448580 AZPHZVNFWFLAPZ-UHFFFAOYSA-N 309.435 0.913 0 50 DCAA CC1=NN(c2ccc(C(=O)N3C[C@H](O)C[C@H]3CO)cc2)CC1 368407959 AKTNCUFLAQBRPE-LSDHHAIUSA-N 303.362 0.840 0 50 DCAA COCCCN1CCCN(C(=O)[C@H](O)c2cccnc2)CC1 369656785 ACHHLZBAODTBMJ-OAHLLOKOSA-N 307.394 0.686 0 50 DCAA CCN1CCO[C@H](C(=O)NC2CCN(c3nccn3C)CC2)C1 373511212 ZRLBWRPDCQDNIR-AWEZNQCLSA-N 321.425 0.226 0 50 DCAA O=S(=O)(C1CC1)N1CCC[C@@H](NCC2=CCCOC2)C1 375785550 BIVNPMNTCLLJDU-CYBMUJFWSA-N 300.424 0.879 0 50 DCAA CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1cnc(C)nc1C 408125638 CHMZMTSKABZOBQ-NSHDSACASA-N 312.395 0.247 0 50 DCAA Cn1cc(C(=O)NS(=O)(=O)C2CCC2)c([C@H]2CCOC2)n1 408485122 OGNKZDSOJQXSRU-VIFPVBQESA-N 313.379 0.536 0 50 DCAA CN(C)CCN1CCC(NC(=O)c2cccn3cnnc23)CC1 426434819 HPGWDQXDCPEFAH-UHFFFAOYSA-N 316.409 0.485 0 50 DCAA CCc1noc([C@H](C)NC(=O)N2CCN(CCOC)CC2)n1 426612483 DDZQYTAUVSXMDO-NSHDSACASA-N 311.386 0.667 0 50 DCAA N=C1NC(=O)C2(CCN(C(=O)C3Cc4ccccc4C3)CC2)N1 426612892 QFQZXTOMKRBYBB-UHFFFAOYSA-N 312.373 0.417 0 50 DCAA CC(C)N1C[C@@H](C(=O)N2CCN(c3nc[nH]n3)CC2)CCC1=O 426634063 UVNZKJGGTQLNAL-LBPRGKRZSA-N 320.397 0.100 0 50 DCAA O=C(NC[C@]1(O)CCCNC1)c1ccccc1-n1cnnc1 534646768 ZDGZWUORMUEIEQ-HNNXBMFYSA-N 301.350 0.112 0 50 DCAA O=C(CC1CCNCC1)N1CCN(CC2CC2)[C@@H](CCO)C1 534649364 UPQRHIQCFZUUAG-INIZCTEOSA-N 309.454 0.681 0 50 DCAA Cc1ccc2nc(CCNC(=O)N(C)C[C@@H](O)CO)[nH]c2c1 534665567 VRMLKIDCNILSMN-LLVKDONJSA-N 306.366 0.408 0 50 DCAA COC[C@@H](C)NC(=O)C1CCN(C(=O)c2cc(N)ccn2)CC1 584885122 HOVQKHDCFNUYFF-LLVKDONJSA-N 320.393 0.667 0 50 DCAA CN1CCN(C[C@H]2CCCN(C(=O)CCc3cn[nH]c3)C2)CC1 584896833 ZHGGUSLRXXRSBV-MRXNPFEDSA-N 319.453 0.828 0 50 DCAA CCOC(=O)N1CCC(NCCc2nc(N)cc(O)n2)CC1 584903591 NLHNSYYCNAIYOB-UHFFFAOYSA-N 309.370 0.517 0 50 DCAA CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C)C2(CO)CC2)C1 585113622 ZJHMZPDINHYADF-NWDGAFQWSA-N 318.439 0.325 0 50 DCAA Cn1ccc(C(=O)N[C@H](CO)[C@@H](O)c2ccc(Cl)cc2)n1 585128327 YOYGXKVAVIRZDV-OLZOCXBDSA-N 309.753 0.898 0 50 DCAA O=C(c1cc(-n2ccnc2)ccc1O)N1C[C@@H](CO)[C@@H](O)C1 636018136 UCPQJRFRJGEGBF-HZMBPMFUSA-N 303.318 0.003 0 50 DCAA C[C@@]12CN([C@@H](C(N)=O)c3ccccc3)C[C@]1(C)C(=O)NC2=O 639952016 IDNVYBZEXNYIOF-LYRGGWFBSA-N 301.346 0.198 0 50 DCAA O=C(CN[C@@H]1CCCn2nccc21)N1CCOC[C@H]1C1CC1 640221112 RGIFLRYWTPOGAW-HIFRSBDPSA-N 304.394 0.945 0 50 DCAA CC(C)n1cc(CN2CCC[C@@](O)(CC(=O)N(C)C)C2)nn1 643753909 PLTRNCDMIDSBAF-OAHLLOKOSA-N 309.414 0.664 0 50 DCAA COC[C@]1(C(N)=O)CCCN1Cc1nccn1CC(F)(F)F 643762589 CEVCVCSNISLOII-LBPRGKRZSA-N 320.315 0.912 0 50 DCAA COc1ccc(CCC(=O)N2CCC[C@@](O)(CC(N)=O)C2)cc1 643993828 KBJZJIBBDPCRJW-QGZVFWFLSA-N 320.389 0.857 0 50 DCAA CN(C(=O)CN1CCCC[C@@H](O)C1=O)C1Cc2ccccc2C1 644324965 TWWOFURVADKRGW-MRXNPFEDSA-N 316.401 0.986 0 50 DCAA O=C(CN1CCCC[C@@H](O)C1=O)N1CCC(OC2CCC2)CC1 644498809 BIBPPBKAEORKIE-OAHLLOKOSA-N 324.421 0.920 0 50 DCAA CO[C@@H]1CCOC[C@H]1NC(=O)c1cc(-c2ccn(C)c2)[nH]n1 889187968 PXKWTHNDPRRXGR-ZIAGYGMSSA-N 304.350 0.949 0 50 DCAA O=C(NCCc1cnc(O)nc1)[C@H]1Cc2cc(F)ccc2O1 899706559 PPYWQLZKVTUHKB-CYBMUJFWSA-N 303.293 0.984 0 50 DCAA CNC(=O)[C@]12CCOC[C@H]1CN(c1cc(C)nc3ncnn13)C2 952852451 XZHYLUXFESFAIX-ABAIWWIYSA-N 316.365 0.022 0 50 DCAA Nc1nc2c(c(C(=O)NCCCn3ccnn3)n1)CCCC2 952990569 WETPMZHEWMMOPG-UHFFFAOYSA-N 301.354 0.349 0 50 DCAA CSc1nc(N)cc(N(C)CC2CCN(CCO)CC2)n1 1506407588 XHOHWOYHNNBKBV-UHFFFAOYSA-N 311.455 0.921 0 50 DCAA COC(C)(C)CNC(=O)[C@H]1OCC(=O)N[C@@H]1c1ccccc1 1529120960 VZBKGYDSPXIJQH-KGLIPLIRSA-N 306.362 0.784 0 50 DCAA CCC[C@@H]1COC[C@@H]2CN(C(=O)c3cc(C)nc(N)n3)CCN21 1613882175 YAXAEJSEVGMOTH-OLZOCXBDSA-N 319.409 0.693 0 50 DCAA Cc1ccc(C(=O)N2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)c(O)n1 1704297168 IUQJHMNDEGVVRK-BXUZGUMPSA-N 316.361 0.803 0 50 DCAA CC(C)c1nccc(CN2C[C@H]3COC[C@@H](C2)C(=O)N3C)n1 1704313074 MQSNPPSFWJCINJ-OCCSQVGLSA-N 304.394 0.889 0 50 DCAA O=C(O)[C@]12CN(Cc3ccccc3OCCO)C[C@@]1(C(=O)O)C2 1704313122 GAKJFBWMALJARL-IYBDPMFKSA-N 321.329 0.419 0 50 DCAA O=C1N[C@H]2C[C@@H]1N(C(=O)CCc1nc3ccc(F)cc3[nH]1)C2 1857670224 BPFRSTIUPZYRRQ-CABZTGNLSA-N 302.309 0.734 0 50 DCAA Cn1ccnc1CN1C[C@@H]2CC[C@H](C1)[C@@H]2NC(=O)c1cc[nH]n1 1857689815 YTRUBPVKKOPCGD-JYAVWHMHSA-N 314.393 0.784 0 50 DCAA O=C1C[C@@H]2CC[C@H](CNC(=O)c3cc(F)ccc3OCCN1)N2 1857713068 CDMPIFMQXISKJA-NWDGAFQWSA-N 321.352 0.575 0 50 DCAA COC[C@@]1(C(=O)N[C@@H]2COc3ccccc3NC2=O)CCOC1 1875297923 IPYHNUSRODWRGN-WBMJQRKESA-N 320.345 0.555 0 50 DCAA COCc1nnc([C@]23CC[C@H]2CCN3C(=O)C2OCCO2)o1 1875311877 OHYMSEJCLMDZDC-XPTSAGLGSA-N 309.322 0.427 0 50 DCAA O=C([C@@H]1CCCO1)N1CCN(C(=S)NCc2ccco2)CC1 611978 JPLXCHGHZCVLQN-ZDUSSCGKSA-N 323.418 0.977 0 50 DCAA 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304.350 0.946 0 50 DCAA O=C(O)[C@H]1COCCN1C(=O)c1cn(Cc2cccs2)nn1 262444145 GLLPZMUNKWXGNU-LLVKDONJSA-N 322.346 0.314 0 50 DCAA NC(=O)[C@@H]1CN(CC(=O)NCC2CCC2)C[C@H]1C(F)(F)F 299741316 DRDVNSOUJBXREG-NXEZZACHSA-N 307.316 0.498 0 50 DCAA NC(=O)[C@@H](O)C1CCN(C[C@@H](O)c2ccccc2Cl)CC1 299750977 OYTLHKUHDNLTBB-KGLIPLIRSA-N 312.797 0.932 0 50 DCAA CCc1csc(CCNC(=O)[C@H]2CCS(=O)(=O)C2)n1 299761209 WXEXZJKPGYJZRB-VIFPVBQESA-N 302.421 0.799 0 50 DCAA C[C@@H](NC(=O)CCNS(C)(=O)=O)c1cn2ccsc2n1 299765004 YDKVHIFYQNPOEW-MRVPVSSYSA-N 316.408 0.512 0 50 DCAA CN1CCN2CCN(C(=O)CCc3cccc(O)c3)C[C@H]2C1 299775117 HFCHEICEVJGXNJ-OAHLLOKOSA-N 303.406 0.783 0 50 DCAA Cc1cc(C(=O)N2CCN(C)[C@H](c3nccn3C)C2)nc(C)n1 328633310 SLGPATYWKOZULC-AWEZNQCLSA-N 314.393 0.956 0 50 DCAA O=C(O)Cn1cc(NC(=O)Cn2ccc(C(F)(F)F)n2)cn1 386898005 IDULOFWIBCBMAA-UHFFFAOYSA-N 317.227 0.822 0 50 DCAA C[C@@H]1CN(S(=O)(=O)c2cccc3ncccc23)C[C@H]1C(N)=O 408473516 PREPCQVJIXRFRX-ZYHUDNBSSA-N 319.386 0.977 0 50 DCAA Cc1cc(=O)c(OCC(=O)NCc2nnc3ccccn23)co1 409414474 RLGDVJFSGDBBOV-UHFFFAOYSA-N 314.301 0.686 0 50 DCAA O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@H](CO)[C@H](O)C1 514648456 SVLNFDZSFUYZRX-NXEZZACHSA-N 304.268 0.916 0 50 DCAA CCOCC(=O)N1CCC(C(=O)N2CCC[C@@H](O)CC2)CC1 584902272 NVCCJACBJWRSQH-CQSZACIVSA-N 312.410 0.635 0 50 DCAA CNC(=O)CN1CCC(NCc2ccc3nc[nH]c3c2)CC1 589639605 QJATWQBHGBNXEG-UHFFFAOYSA-N 301.394 0.863 0 50 DCAA COc1cc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)ccn1 670456680 BAFRCINOAPGWCD-UHFFFAOYSA-N 302.338 0.166 0 50 DCAA COc1ncc(CN2CCCN(c3ncccn3)CC2)cn1 824852130 XDTPUHOBXGNQCV-UHFFFAOYSA-N 300.366 0.988 0 50 DCAA NC(=O)CN1CCC[C@@H](C(=O)NCC[C@@H]2C[C@@H]3C=C[C@H]2C3)C1 952976643 LVLPQHWSYKKEHE-LXTVHRRPSA-N 305.422 0.902 0 50 DCAA CCN1C[C@@H](C(=O)N2CCN(CC(F)(F)F)CC2)CCC1=O 952990833 XFSBBCWYCWCYOG-NSHDSACASA-N 321.343 0.951 0 50 DCAA COc1c(C(=O)NCC(C)(C)C2(O)CCOCC2)cnn1C 1469176373 MPZCPASUOVJSHU-UHFFFAOYSA-N 311.382 0.726 0 50 DCAA COCCNC(=O)c1cccc(NC(=O)CC2CNC2)c1C 1506398447 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77377026 ZMANEVHCDLIEGL-ZDUSSCGKSA-N 321.377 0.886 0 50 DCAA O=C1NC2(CCNCC2)C(=O)N1Cc1noc([C@@H]2CCCO2)n1 77388070 QKPIMJPRZVUALA-VIFPVBQESA-N 321.337 0.095 0 50 DCAA O=C(Cc1cccnc1)N1CCOC[C@](O)(CN2CCCC2)C1 77471364 NZILTGZGPSBLSR-KRWDZBQOSA-N 319.405 0.310 0 50 DCAA COc1ccc([C@@H](CC(=O)N2CC[C@@H](N)C2)NC(C)=O)cc1 132352621 GULLDJKSESIWHU-UKRRQHHQSA-N 305.378 0.822 0 50 DCAA C[C@H]1CN(C(=O)Cn2ncn(C)c2=O)[C@H](c2ccccc2)CO1 182243892 RPNMUJOVQPBPNO-JSGCOSHPSA-N 316.361 0.570 0 50 DCAA CN(C)c1noc(CNC(=O)[C@@H]2COCCN2CC2CCC2)n1 193900048 YTTYCZNWFSOPJE-LBPRGKRZSA-N 323.397 0.253 0 50 DCAA CCCCN1CCC(NC(=O)C2(S(C)(=O)=O)CC2)CC1 225401879 JNMRDYWQMLJZEF-UHFFFAOYSA-N 302.440 0.944 0 50 DCAA O=C1CNC(=O)N1CCN1C[C@H](O)C[C@@H]1c1cccc(F)c1 225650571 QJGQVYCFVIIPEC-CHWSQXEVSA-N 307.325 0.485 0 50 DCAA Cc1cc(N2CCN(C(=O)[C@@H]3CCC[C@H]3N)CC2)nc(C)n1 237787925 PBOCPZAYCQEYAY-ZIAGYGMSSA-N 303.410 0.869 0 50 DCAA O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CN1CSCC1=O 252431719 ORHDNQHWUOYFCX-AXFHLTTASA-N 312.391 0.764 0 50 DCAA CS(=O)(=O)[C@@H]1CCN(C(=O)N[C@H]2COc3ccccc32)C1 253394991 RXSHQLIMLOSTRK-PWSUYJOCSA-N 310.375 0.949 0 50 DCAA NC(=O)CCCCNS(=O)(=O)c1cccc2nsnc12 253431430 VUHUDNWJTAQWDB-UHFFFAOYSA-N 314.392 0.625 0 50 DCAA CO[C@@H]1COCC[C@@H]1CNC(=O)N1C[C@@H](C)C[C@H](C(=O)O)C1 263307291 HKZHKYNUPKXVIN-QNWHQSFQSA-N 314.382 0.790 0 50 DCAA COCc1noc(-c2cncnc2N2CCC(CN)CC2)n1 263619121 WZKRDUHJPDHSHB-UHFFFAOYSA-N 304.354 0.848 0 50 DCAA O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H]1COCCO1 268906116 YOCVTVCQUXDHDL-KGLIPLIRSA-N 318.329 0.695 0 50 DCAA C[C@@H](N)[C@H]1CCCCN1S(=O)(=O)c1cccc(C(N)=O)c1 269603951 BLJIBDPZMVOHPD-ZWNOBZJWSA-N 311.407 0.676 0 50 DCAA COC(=O)c1cc(S(=O)(=O)N2CC(C(=O)O)C2)oc1C 275156808 TYYRRVHGXXNJIW-UHFFFAOYSA-N 303.292 0.080 0 50 DCAA C[C@@H]1NC(=O)CC[C@H]1NS(=O)(=O)c1ccc2c(c1)OCO2 282494969 JZFWHWJANVAYHH-WCBMZHEXSA-N 312.347 0.361 0 50 DCAA O[C@]1(c2c[nH]nn2)CCN(c2ncnc3cccc(F)c23)C1 284587290 PZZVGXDIRNSVNO-CQSZACIVSA-N 300.297 0.985 0 50 DCAA NC(=O)c1ncn([C@@H]2CCCN(CC(=O)N3CCCCC3)C2)n1 299741703 AGOGTSZAIVQUBY-GFCCVEGCSA-N 320.397 0.026 0 50 DCAA Cn1nc(CC(=O)N2CC[C@H](C(=O)O)C2)c2ccccc2c1=O 299744259 RMTSUXWSVPPPKG-JTQLQIEISA-N 315.329 0.409 0 50 DCAA CC(C)CCN1C(=O)N(CCN(C)C)C(=O)C12CCNCC2 299763924 HLKVAMJZOLVCDQ-UHFFFAOYSA-N 310.442 0.981 0 50 DCAA Cc1noc(C)c1C(=O)N1CCc2nc(C)n(C)c(=O)c2CC1 299769779 QCBVZYAMACJJIE-UHFFFAOYSA-N 316.361 0.935 0 50 DCAA CN1CCN(c2cc(NC[C@@H](C3CC3)N(C)C)ncn2)CC1=O 302563041 METROSKCYFMTBL-ZDUSSCGKSA-N 318.425 0.507 0 50 DCAA CCN1CCN(S(=O)(=O)c2ccnn2C)C[C@H]1c1ncc[nH]1 328616462 BSRQMCWKXZZJJU-NSHDSACASA-N 324.410 0.211 0 50 DCAA O[C@@H](CN1CCOCC1)CN1C[C@H](O)C[C@@H]1c1cccc(F)c1 331565501 JPPCZUSRXNDXLH-IXDOHACOSA-N 324.396 0.627 0 50 DCAA CN(C(C)(C)CN1CCOCC1)S(=O)(=O)C[C@H]1CCCO1 333930837 ZMNLFTCVZXXSEZ-CYBMUJFWSA-N 320.455 0.538 0 50 DCAA COC[C@@H]1C[C@H](OC)CN1S(=O)(=O)c1cn(C(C)C)cn1 343177838 XQCFOZNKIVOZGI-RYUDHWBXSA-N 317.411 0.888 0 50 DCAA Cn1cc(C(N)=O)cc1C(=O)N1CC[C@H](Oc2ccccn2)C1 370554170 AKTQMABUQSKFIP-LBPRGKRZSA-N 314.345 0.813 0 50 DCAA COC(=O)[C@@H]1CSCN1S(=O)(=O)C[C@H]1CCCCO1 408206573 OVFDLYNGPJCJJT-ZJUUUORDSA-N 309.409 0.433 0 50 DCAA Cc1cc(C)cc(OCCN(C)C(=O)CNC(CO)CO)c1 408524564 VRWNNEIAUOHXMW-UHFFFAOYSA-N 310.394 0.083 0 50 DCAA C[C@@H](NC(=O)Cn1ncc2ncccc21)C(=O)N1CCCCC1 408525347 XRAXXECGVSEDOE-GFCCVEGCSA-N 315.377 0.949 0 50 DCAA CC(C)(C)NC(=O)CCNC(=O)c1cn([C@H]2CCCNC2)nn1 424111671 GULHWDAHXJUIEW-NSHDSACASA-N 322.413 0.237 0 50 DCAA Cn1ccnc1CNC(=O)[C@H](Cc1ccccc1)n1cnnn1 426545143 VQNAIBZCPMRKSJ-ZDUSSCGKSA-N 311.349 0.507 0 50 DCAA CN1C[C@@H](C(=O)NC2(C(=O)O)CCOCC2)Oc2ccccc21 534584241 YUIUOKPMJPPHBU-ZDUSSCGKSA-N 320.345 0.634 0 50 DCAA O=S(=O)(N[C@@H]1CCCN(Cc2cccnc2)C1)N1CCCC1 534640943 RZIAQLFUCFDQIA-OAHLLOKOSA-N 324.450 0.976 0 50 DCAA O=C(N[C@@H]1CC[S@@](=O)C1)N1CCC(Oc2cnccn2)CC1 574910046 XMNLJGWVEHSOLM-RKFFSXRUSA-N 324.406 0.550 0 50 DCAA O=C(NC1CCN(C(=O)N2CCOCC2)CC1)c1ccc[nH]1 584899309 JWGLOLPNZAOCRX-UHFFFAOYSA-N 306.366 0.661 0 50 DCAA Cn1ccnc1-c1ccc(N[C@H]2COC[C@@H]2N2CCCC2)nn1 584900230 QOPOVXGVKBKFLY-KBPBESRZSA-N 314.393 1.152 0 50 DCAA Cn1nc(C(=O)Nc2cccc(NS(C)(=O)=O)c2)cc1O 622294931 IJFQQJHJFPKYBK-UHFFFAOYSA-N 310.335 0.750 0 50 DCAA C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)CCn1ccnc1 641493707 KPXDXADSYVAEEB-KBPBESRZSA-N 312.439 0.772 0 50 DCAA C[C@H]1CN(S(=O)(=O)c2cc(C(N)=O)cs2)CCN1C 670440588 VHBZPQFWVZTWAK-QMMMGPOBSA-N 303.409 0.172 0 50 DCAA COc1c[nH]c(C(=O)N2C[C@H]3CCC[C@@H](C2)N(C)C3)cc1=O 670473459 CZQJJPAFJDFFLS-RYUDHWBXSA-N 305.378 0.940 0 50 DCAA O=C(Cc1ncccc1F)N[C@H]1COC[C@H]1Oc1cn[nH]c1 685942997 ZMFGJKRKMRUZSL-QWHCGFSZSA-N 306.297 0.449 0 50 DCAA CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCn3cncc32)cn1 825513970 XHWXELWKIQSTHY-SNVBAGLBSA-N 306.347 0.556 0 50 DCAA CC(=O)Nc1ccc(CCNC(=O)C[C@H]2CCC(=O)N2)cc1 826114188 WFOUHHZLQGWABL-CQSZACIVSA-N 303.362 0.972 0 50 DCAA COc1cccc(N2CC[C@H](NC(=O)[C@@H](O)c3cnc[nH]3)C2)c1 865150508 OAURSDIVJQEZSO-NHYWBVRUSA-N 316.361 0.847 0 50 DCAA CCNC(=O)c1ccc(N2C[C@@H](C(=O)O)[C@H](C3CC3)C2)nn1 900986628 FJUDFOBOJIXSSP-WDEREUQCSA-N 304.350 0.773 0 50 DCAA O=C(O)[C@@H]1c2ccccc2OCCN1C(=O)CN1CCOCC1 911064610 TYQKKSILMDACTC-HNNXBMFYSA-N 320.345 0.366 0 50 DCAA Cc1cc(N)n(CC(=O)NCc2nc(O)c3ccccc3n2)n1 952968148 AWIAXUJGKLHBBG-UHFFFAOYSA-N 312.333 0.739 0 50 DCAA Cc1c(C(=O)N2C[C@@H](CC(=O)O)[C@@H](c3cnn[nH]3)C2)cnn1C 1076081155 TYRJLTJEQZIZHR-KOLCDFICSA-N 318.337 0.177 0 50 DCAA CC(=O)N1CCC[C@H]1C(=O)N1CCCN(CCC(=O)O)CC1 1772809924 ACRYJAHCKMQAAF-ZDUSSCGKSA-N 311.382 0.006 0 50 DCAA N=c1cc(-c2nccn2-c2ccc(S(N)(=O)=O)cc2)cc[nH]1 1857690385 JXPVMTXEQPKKHK-UHFFFAOYSA-N 315.358 0.994 0 50 DCAA Cc1ccccc1[C@H](C)C(=O)NS(=O)(=O)N1CCOCC1 1875284524 YICZQAILKRVTCN-LBPRGKRZSA-N 312.391 0.792 0 50 DCAA C=CC(=O)NC[C@H](C)N(C)C(=O)[C@@H](C)n1nnnc1C(C)(C)C 1875389193 FXDAHYWRZKWRHM-WDEREUQCSA-N 322.413 0.681 0 50 DCAA C[C@@H]1COC[C@@](CO)(CNC(=O)c2nc3cc(F)ccc3[nH]2)N1 1875393318 DSPRRFUQQYOFNW-PSLIRLAXSA-N 322.340 0.171 0 50 DCAA CCn1nc(C(=O)N2CC(OCCO)C2)c2c1[C@H](C)O[C@H](C)C2 1875404026 QRTKIOOFKAEDQM-MNOVXSKESA-N 323.393 0.759 0 50 DCAA O=C(CCc1nc(O)n[nH]1)N1CCCC[C@H]1CN1CCOCC1 1940193464 UGGCNOAHVWBKFV-LBPRGKRZSA-N 323.397 0.156 0 50 DCAA O=CN1CCN(C(=O)[C@H]2CC(Cc3ccccc3)=NO2)CC1 12244515 FHAUMQRYACSKJG-OAHLLOKOSA-N 301.346 0.675 0 50 DCAA CCS(=O)(=O)N1C[C@@H](C(=O)NC2CC2)Oc2ccccc21 13677179 BEQVTIGAGQHFGR-ZDUSSCGKSA-N 310.375 0.882 0 50 DCAA CSCc1nc(CNC(=O)C(=O)N2CCOCC2)cs1 67648955 ZUPKJQGIWAVJAG-UHFFFAOYSA-N 315.420 0.481 0 50 DCAA CCn1ccc(C(=O)N2CCC[C@]3(CC2)CNC(=O)O3)cc1=O 72157671 BNFBLDCWESKBJR-INIZCTEOSA-N 319.361 0.973 0 50 DCAA CCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccccc1OCC 72162677 VANDJLUIICTQIE-AWEZNQCLSA-N 319.405 0.912 0 50 DCAA CNCCN1C(=O)CC[C@H]2CN(C(=O)C3CCOCC3)CC[C@H]21 72429849 FSTPZMDQICHOID-LSDHHAIUSA-N 323.437 0.472 0 50 DCAA C[C@H](C1CCN(C(=O)c2ccc[nH]c2=O)CC1)N1CCOCC1 72453602 VPZJIPIZPGHASU-CYBMUJFWSA-N 319.405 0.948 0 50 DCAA Cc1nccnc1CN1CCC2(CC1)NC(=O)C[C@@H]2C(=O)O 91440376 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318.308 0.332 0 50 DCAA CN(Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H]2CCCOC2)C1 276072275 UWFWVNFFPIAFHC-UONOGXRCSA-N 304.394 0.936 0 50 DCAA Nc1ncc(Cl)cc1S(=O)(=O)N1CCC[C@@H](O)CC1 294298865 WWINRHMGSMFOPG-SECBINFHSA-N 305.787 0.853 0 50 DCAA CO[C@H]1C[C@@H](C(=O)Nc2ccn(CC(F)(F)F)n2)N(C)C1 330581970 QWXUHBURPRWGNC-IUCAKERBSA-N 306.288 1.103 0 50 DCAA CC(=O)Nc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(C)=O)cc1 331198236 VLOSYZTUUFWPMR-LSDHHAIUSA-N 319.361 0.243 0 50 DCAA CC(=O)N(C)C1CCN(S(=O)(=O)C[C@@H]2CCCCO2)CC1 407976731 OYUPJBKWHZNYQS-AWEZNQCLSA-N 318.439 0.828 0 50 DCAA C[C@@H]1CN(C(=O)c2cn(-c3ccc(F)cc3)nn2)C[C@H]1C(N)=O 408473821 KNIDZMSOBTZWOX-BXKDBHETSA-N 317.324 0.600 0 50 DCAA C[C@@H]1CCO[C@H]1C(=O)N[C@H]1CCCN(c2ncc[nH]c2=O)C1 583622063 JCIRVFHLRPYABG-GRYCIOLGSA-N 306.366 0.280 0 50 DCAA Cc1ccccc1C1(NC(=O)N2CCNC(=O)[C@H]2CCO)CC1 584896756 PMHJVXFNZGVPDH-CQSZACIVSA-N 317.389 0.877 0 50 DCAA COC[C@@]1(C(N)=O)CCCN1Cc1ccc2c(c1)nnn2C 643763328 ZOZAIDMPDYLPPJ-OAHLLOKOSA-N 303.366 0.435 0 50 DCAA 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DCAA CN(CCC(N)=O)c1nc(-c2ccncc2)nc2c1cnn2C 72146954 OBPSHYCJUYCEDV-UHFFFAOYSA-N 311.349 0.737 0 50 DCAA CNS(=O)(=O)[C@@H]1CCN(C(=O)c2cn(C)c3ccccc23)C1 154265714 RMRBXKZSMSAYTQ-LLVKDONJSA-N 321.402 0.942 0 50 DCAA CCCCC(=O)NCC[C@H]1CN(c2cnn(C)c(=O)c2)CCO1 72144684 PCGSIKCUUHSXTR-AWEZNQCLSA-N 322.409 0.682 0 50 DCAA COc1ccc(C(=O)N2CCN(Cc3nccn3C)CC2)o1 215124226 UDKKZHIGADADCJ-UHFFFAOYSA-N 304.350 0.980 0 50 DCAA O[C@]1(CN2CCCC2)COCCN(c2ncnc3[nH]ccc23)C1 77503987 WFCDQUHOAVJUKM-INIZCTEOSA-N 317.393 0.621 0 50 DCAA CC(=O)Nc1ncc(C(=O)N2CC[C@@]3(CN(C)C(=O)O3)C2)s1 72153675 SPLIDMMEBFJEKO-CYBMUJFWSA-N 324.362 0.768 0 50 DCAA CCNC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1 71754897 NXMCKALXXZKJFK-SNVBAGLBSA-N 300.380 0.986 0 50 DCAA Cc1noc(C)c1C(=O)N[C@@H]1COCC[C@@H]1OCCN(C)C 223618969 KXGSTHAPUWYNAD-OLZOCXBDSA-N 311.382 0.757 0 50 DCAA Cc1cc(N)n(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)n1 426534530 WOKWKWIGBRZUIK-LBPRGKRZSA-N 302.334 0.586 0 50 DCAA O=C1NCCN(C(=O)NCc2ccc(F)cc2F)[C@H]1CCO 426492937 PBWCODNKPVKCPO-LBPRGKRZSA-N 313.304 0.357 0 50 DCAA COc1ccc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)nn1 178098436 DPFRICKNBRHEDL-LBPRGKRZSA-N 306.366 0.280 0 50 DCAA O=C(CCn1cnnc1)N1CCC[C@@H](c2ccn(CCO)n2)C1 426509503 PYMAORXJPBPTPS-CYBMUJFWSA-N 318.381 0.263 0 50 DCAA CSc1ncccc1C(=O)N[C@@H]1CCN(C(C)=O)C[C@H]1O 426501950 XYWMOVYPGXMARR-VXGBXAGGSA-N 309.391 0.515 0 50 DCAA O=S(=O)(N[C@H]1CCCn2ncnc21)c1c[nH]c2ncccc12 267605626 GDOJHOZJLKLQHW-JTQLQIEISA-N 318.362 0.968 0 50 DCAA COCCC(=O)N1CCC[C@@]2(CCC(=O)N(CCOC)C2)C1 91650223 GRXJKIFPQDJLOE-MRXNPFEDSA-N 312.410 0.901 0 50 DCAA CC(C)[C@]1(O)CN(c2cc(N3CCOCC3)nc(N)n2)C[C@H]1C 91391240 UVBRUTSBVBGQNU-MLGOLLRUSA-N 321.425 0.739 0 50 DCAA CCN1CCC[C@](C)(C(=O)NCCc2nc(N)cc(=O)[nH]2)C1 95383920 AWFYXJZYODGEDU-HNNXBMFYSA-N 307.398 0.133 0 50 DCAA CCOCC(=O)N1CCN(CCc2ccccc2)C[C@@H](O)C1 97772942 HZGTWPLBTJEXQW-MRXNPFEDSA-N 306.406 0.771 0 50 DCAA CC[C@H](C(=O)N1CCN(c2cnccn2)CC1)n1cccn1 91625052 XQGPPYYMAVZQKS-CYBMUJFWSA-N 300.366 0.973 0 50 DCAA 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CCO[C@@]1(CS(=O)(=O)N2CC[C@@H](O)C(C)(C)C2)CCOC1 641446404 HMAACSVNEMGVCW-OCCSQVGLSA-N 321.439 0.605 0 50 DCAA C[C@H](CN1CCCC1)CN(C)C(=O)CCNS(C)(=O)=O 1506405769 NRQHMXABBPTWKK-LBPRGKRZSA-N 305.444 0.116 0 50 DCAA COC(=O)Cn1cc(CCCNc2cncc(Cl)n2)nn1 1615552437 VJKKRFMIMRASEV-UHFFFAOYSA-N 310.745 0.939 0 50 DCAA C[C@H](N)[C@H]1CCCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1 237420515 RNCIGAGBPHZCAB-AVGNSLFASA-N 317.455 0.386 0 50 DCAA CCN1CCN([C@@H]2CCN(C(=O)Cc3cc(C)no3)C2)CC1 590435246 QUBUMLPTWPZNEF-CQSZACIVSA-N 306.410 0.764 0 50 DCAA CS(=O)(=O)NCCN1C[C@H](O)C[C@H]1c1ccc(F)cc1 225515549 MNBUYJAAKXPWJJ-OLZOCXBDSA-N 302.371 0.483 0 50 DCAA CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCC1OCCCO1 496840279 RISDGQWAOBIFQG-SNVBAGLBSA-N 300.355 0.875 0 50 DCAA COCCCNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 4694583 QVVGJKPLYUUZMH-UHFFFAOYSA-N 314.407 0.768 0 50 DCAA CCCN1C[C@@H](NC(=O)CCC(=O)NC2CCCC2)CC1=O 55281820 HOYFBWUCKIXNMR-ZDUSSCGKSA-N 309.410 0.953 0 50 DCAA Nc1cc(=O)[nH]c(CCNC(=O)[C@@H]2CCc3ccccc3C2)n1 20638611 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COC(=O)C1(CNC(=O)c2cnc3c(C)cccn3c2=O)CC1 170600862 GDPGZOOLZOPFFV-UHFFFAOYSA-N 315.329 0.686 0 50 DCAA Cn1nncc1S(=O)(=O)NC[C@@H](CCO)c1ccccc1 170613355 CUVGGYCMHNFUSO-GFCCVEGCSA-N 310.379 0.260 0 50 DCAA CN(C)CCN(CC(=O)O)C(=O)[C@H]1Cc2cccc(F)c2O1 237131375 UPOOBIGBDTUQHA-GFCCVEGCSA-N 310.325 0.604 0 50 DCAA C[C@@H]1CN(c2ccc(C(=O)N3CCNCC3)cn2)C[C@@H](C)O1 237439514 XVDDEMITEDWXEH-CHWSQXEVSA-N 304.394 0.741 0 50 DCAA Cc1noc([C@@H](C)NC(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)n1 244858452 VLFLJEAYPCLYRB-IEBDPFPHSA-N 319.369 0.903 0 50 DCAA Cc1nc2ccnn2c(O)c1CCC(=O)N[C@H](CO)C(C)C 252491840 LWLCUDQPYYSMRE-GFCCVEGCSA-N 306.366 0.809 0 50 DCAA O=C(CC[C@@H]1CCNC1)NCCn1c(=O)[nH]c2ccccc21 261845858 OFRUIEBXFOCADS-GFCCVEGCSA-N 302.378 0.836 0 50 DCAA Cc1nnc(NC(=O)Cn2c(C)cc(O)cc2=O)n1C1CC1 285822531 TYHREIYCDFJMLQ-UHFFFAOYSA-N 303.322 0.736 0 50 DCAA NC(=O)c1ncn([C@H]2CCCN(C(=O)C[C@@H]3CCCCO3)C2)n1 299739128 KWESRHSRSSPEQI-RYUDHWBXSA-N 321.381 0.500 0 50 DCAA Cn1cnc2c(c1=O)CCN(C(=O)c1ccc3c(c1)OCO3)C2 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0.821 0 50 DCAA CN1C(=O)CN(CC(=O)N2CCC[C@H]2c2cccnc2)C1=O 623598416 ARBCCRKFYVLRFC-LBPRGKRZSA-N 302.334 0.639 0 50 DCAA O[C@@H](CN1CCC[C@H]1CN1CCCC1)CC1(O)CCOCC1 630035690 FQBIZYZIIXFGLP-JKSUJKDBSA-N 312.454 0.839 0 50 DCAA Cn1cc(CCCNC(=O)[C@H]2CC[C@H](C(=O)O)N2C2CC2)cn1 663223312 CIGGDSFEZMQZKZ-ZIAGYGMSSA-N 320.393 0.549 0 50 DCAA O=C(CCn1cncn1)NC1CCN(C2CCOCC2)CC1 670450955 VXWDBSFSGIEPEL-UHFFFAOYSA-N 307.398 0.428 0 50 DCAA Cn1ncc(C(=O)Nc2ccc3c(c2)CCN3C(N)=O)c1N 680499898 PIPFNXVNLQSFQN-UHFFFAOYSA-N 300.322 0.696 0 50 DCAA CCS(=O)(=O)NC[C@@H](C)N1CCC2(CCN(C)C2)CC1 823412738 ONIYQGFIWFSPSW-CYBMUJFWSA-N 303.472 0.732 0 50 DCAA NC(=O)CCC1CCN(CC[C@H]2CCS(=O)(=O)C2)CC1 826835073 NWDRVFSHKPGJRA-ZDUSSCGKSA-N 302.440 0.789 0 50 DCAA Cc1noc([C@@H]2COCCN2C(=O)c2ccc(C(=O)O)cn2)n1 843330995 HIBJXPMSUGQPLC-NSHDSACASA-N 318.289 0.685 0 50 DCAA COc1ccnc(N2CCC[C@](O)(Cc3nc(C)no3)C2)n1 886027151 JUDYALBRIJCPNL-AWEZNQCLSA-N 305.338 0.751 0 50 DCAA O=C(N[C@@H]1C[C@@H](O)C12CCOCC2)c1cnn2cccnc12 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313.423 0.964 0 50 DCAA O=C(Cc1ccc2c[nH]nc2c1)N1C[C@@H](CO)C2(COC2)C1 1875296124 GFQPKXXKPXPCKA-ZDUSSCGKSA-N 301.346 0.573 0 50 DCAA Cn1ccc(CS(=O)(=O)NC(=O)[C@@H]2[C@H]3[C@@H]4CC[C@@H](C4)[C@H]32)n1 2325788066 JWLPMVLMJYJLMG-NVRFYQKYSA-N 309.391 0.658 0 50 DCAA COc1cncc(C(=O)NCCNC(=O)c2ncccc2O)c1 2325865344 YVVRFBXSKUTJJG-UHFFFAOYSA-N 316.317 0.351 0 50 DCAA COC(=O)[C@H]1CC12CCN(C(=O)c1cnc(O)nc1O)CC2 2356145399 AOYPUSJCHSJRJW-SECBINFHSA-N 307.306 0.303 0 50 DCAA CC(C)C(=O)N1CCC(CNC(=O)[C@H](O)C(F)(F)F)CC1 2356153230 XPYNXQDUMMURPK-JTQLQIEISA-N 310.316 0.920 0 50 DCAA Cn1nccc1-n1nc(CC(N)=O)nc1-c1ccc2cc[nH]c2n1 2356164263 LWOXSRPGUSZTMC-UHFFFAOYSA-N 322.332 0.572 0 50 DCAA C[C@]1(C(=O)N2CCN(S(C)(=O)=O)CC2)CC1(Cl)Cl 3613260 KUVJLSUTSXDJDK-SECBINFHSA-N 315.222 0.674 0 50 DCAA COC(=O)c1cc2n(n1)CCN(C(=O)CCc1cc(O)no1)C2 65462746 GFAMODMAAJLDDU-UHFFFAOYSA-N 320.305 0.338 0 50 DCAA Cn1nc2c(cc1=O)CN(C(=O)c1n[nH]c3ccccc13)CC2 174433291 XQEXQUQLCQUIPU-UHFFFAOYSA-N 309.329 0.855 0 50 DCAA Cn1nc([C@H]2CCCN(C(=O)CO)C2)n(-c2ccccc2)c1=O 67974147 VFQSVIDGOMPJCA-LBPRGKRZSA-N 316.361 0.269 0 50 DCAA C[C@H](C(=O)Nc1nccs1)N1CCO[C@@H](Cn2cncn2)C1 229552699 CSCATOOPYYNXFF-GHMZBOCLSA-N 322.394 0.463 0 50 DCAA C[C@@H](C(=O)N1Cc2cnc(C(C)(C)C)nc2C1)n1cnnn1 67934637 ZTOBTILUPBVFLH-VIFPVBQESA-N 301.354 0.864 0 50 DCAA O=S(=O)(CC1CC1)N1CCC[C@@H](n2cc(CO)nn2)C1 328835575 MJHZCSXXOJGAAG-GFCCVEGCSA-N 300.384 0.147 0 50 DCAA CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 1530621 IAVUPMFITXYVAF-XPUUQOCRSA-N 324.449 0.612 0 50 DCAA biogenic,fda COCCN1C[C@H](C(=O)N2CC(n3cc(C)cn3)C2)CC1=O 363473014 XIYNVTNFXDIDPN-GFCCVEGCSA-N 306.366 0.070 0 50 DCAA CCNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(OC)cc1F 72167181 ANSUZOOQPIYPQM-AWEZNQCLSA-N 323.368 0.661 0 50 DCAA O=C(CCc1n[nH]c2c1CCCC2)N1CCC[C@](O)(CO)C1 72143887 QYCLKVJKSUXDMM-MRXNPFEDSA-N 307.394 0.567 0 50 DCAA C[C@H](CN(C)c1ccc2nnc(C(F)F)n2n1)c1nnn[nH]1 132891760 GRFSVMSTNGEAGO-ZCFIWIBFSA-N 309.284 0.815 0 50 DCAA CN1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1 36086304 CELJRTSQIRJKGE-UHFFFAOYSA-N 311.363 0.068 0 50 DCAA Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](N)C1 158371813 BXERFYXAARMMGW-CABCVRRESA-N 314.393 0.715 0 50 DCAA Cc1cc([C@@H]2CCCN2C(=O)CCn2ccc(=O)[nH]c2=O)no1 222704263 RGCYYGXILGZTEN-LBPRGKRZSA-N 318.333 0.587 0 50 DCAA Cn1c2c(cc(C(=O)NCCCn3ccnn3)c1=O)CCCC2 426689854 KXDDINMNIFPXBH-UHFFFAOYSA-N 315.377 0.676 0 50 DCAA COCCN1C[C@]2(CCCN(CC(=O)N(C)C)C2)CCC1=O 91808636 PVADAXWEYGFNCV-MRXNPFEDSA-N 311.426 0.426 0 50 DCAA C[C@H]1Cc2cc(CNC(=O)CN3CCN(C)C3=O)ccc2O1 426574749 ATAUZICJAIEQLD-NSHDSACASA-N 303.362 0.994 0 50 DCAA Cc1n[nH]c(C)c1CC(=O)N[C@@H](Cc1ccccc1)C(N)=O 97568758 MXUUEAOTILWPLI-AWEZNQCLSA-N 300.362 0.782 0 50 DCAA Cn1cncc1CNC[C@H](O)CN1CCc2ccccc2C1 237933306 HAFJTFMHODVIBD-KRWDZBQOSA-N 300.406 0.929 0 50 DCAA O=C(NCc1ccccc1CN1CC[C@@H](O)C1)c1c[nH]nn1 183392487 DJMNMVSZPUAPPA-CYBMUJFWSA-N 301.350 0.301 0 50 DCAA O=C(NCc1ccccc1CN1CC[C@H](O)C1)c1c[nH]nn1 183392449 DJMNMVSZPUAPPA-ZDUSSCGKSA-N 301.350 0.301 0 50 DCAA O=C(COCc1nc2ccc(F)cc2[nH]1)NCCn1ccnn1 534673825 XNKUOGOMRGFFOK-UHFFFAOYSA-N 318.312 0.627 0 50 DCAA COC[C@H]1CCCN(S(=O)(=O)NCc2cscn2)C1 534581097 JEDAFIKETAJYSI-JTQLQIEISA-N 305.425 0.836 0 50 DCAA NC(=O)Cc1nc(-c2cccc3c2COC3)n([C@@H]2CCOC2)n1 1940197449 RDQYXFFPBIFJIU-LLVKDONJSA-N 314.345 0.965 0 50 DCAA CCOCC(=O)N1CCC(C(=O)NCc2nonc2C)CC1 299799143 DMLLAYJNFGTIMQ-UHFFFAOYSA-N 310.354 0.269 0 50 DCAA CC(=O)N1CCC[C@H](CNC(=O)c2cccn3cnnc23)C1 299796232 MMFRXUUGEMVNIL-GFCCVEGCSA-N 301.350 0.718 0 50 DCAA CNc1nc(C(=O)NC2CCN(C3CCOCC3)CC2)cs1 584886441 JTOHOEFZXABRJG-UHFFFAOYSA-N 324.450 1.558 0 50 DCAA CC(=O)c1cc(CN2CC[C@]3(C2)CN(C)C(=O)CO3)n(C)c1 670466134 KFCUFHYVQRZDPD-MRXNPFEDSA-N 305.378 0.661 0 50 DCAA COC(=O)[C@@H]1c2c[nH]nc2CN1C(=O)COc1ccc(O)cc1 1875357349 CVDKPLJZBGAEEI-AWEZNQCLSA-N 317.301 0.751 0 50 DCAA CCn1cnc(C(=O)N[C@H]2CCOC[C@H]2Nc2ccncn2)c1 952888427 HOJAPUMRKUIKLL-WCQYABFASA-N 316.365 0.692 0 50 DCAA NC(=O)CN1CCC[C@@H](C(=O)N2CCC3(CCOCC3)CC2)C1 952967532 KTVJUWAZMQSFPF-CQSZACIVSA-N 323.437 0.603 0 50 DCAA COc1ncccc1CNC(=O)CN1CCCC[C@H](OC)C1=O 886087947 FGXBDJGPTOMQFR-ZDUSSCGKSA-N 321.377 0.734 0 50 DCAA COCCN1CN(C(=O)c2ccc3c(c2)ncn3C)CC1=O 282363263 DLBKCDMUBOTWKO-UHFFFAOYSA-N 302.334 0.462 0 50 DCAA Cn1nc(C(=O)NS(=O)(=O)c2cccnn2)c2c1CCCC2 408497379 IWYFAVAVPMPPBE-UHFFFAOYSA-N 321.362 0.208 0 50 DCAA O=C(NCC1CC1)[C@@H]1CCCN(C(=O)C23CCN(CC2)C3)C1 585121555 SAFGIABJHDHUHU-CQSZACIVSA-N 305.422 0.847 0 50 DCAA NC(=O)Cc1nc(-c2cccc3nn[nH]c23)n([C@H]2CCOC2)n1 1857676634 VWTDSWQGOPZZHY-QMMMGPOBSA-N 313.321 0.206 0 50 DCAA Cn1nc(C(=O)N2CCC(C)(O)CC2)c2ccccc2c1=O 1649719594 KFBJOGKIKUQNAO-UHFFFAOYSA-N 301.346 0.921 0 50 DCAA COc1ccc(Br)cc1S(=O)(=O)NCCO 11566251 ANOUOAFJUPSZKO-UHFFFAOYSA-N 310.169 0.728 0 50 DCAA in-vitro O=C(CCc1cccnc1)N1CC[C@@]23OCCN2C(=O)C[C@@H]13 1875244986 FGBIGDYZVKRIIO-CJNGLKHVSA-N 301.346 0.574 0 50 DCAA CNC(=O)c1ccc(S(=O)(=O)N2CCOC[C@@H]2C2CC2)cc1 121557261 ARIPUTRUPWBGDM-CQSZACIVSA-N 324.402 0.846 0 50 DCAA CCn1cnc2c(N3CCC[C@@](O)(CC(=O)NC)C3)ncnc21 643721099 RVAFNAVTJKCDIN-OAHLLOKOSA-N 318.381 0.314 0 50 DCAA COc1cccc(CNC(=O)CN2CCCC[C@H](O)C2=O)n1 644336065 FRNKOELEBJBIRV-LBPRGKRZSA-N 307.350 0.080 0 50 DCAA C[C@@]1(C(=O)O)CCN(C(=O)c2cnc3ccccn3c2=O)C1 237661907 OSROLEGTVCBHJQ-OAHLLOKOSA-N 301.302 0.631 0 50 DCAA Cc1cn(CCNC(=O)c2cn([C@H]3CC[C@@H](N)CC3)nn2)nn1 244678554 IFQUEYVIZABENL-TXEJJXNPSA-N 318.385 0.050 0 50 DCAA C[C@H]1CCCN(C(=O)COc2ccc(C(N)=O)cc2)[C@@H]1C(=O)O 263089611 UCAPWMAGYDLVRU-HZMBPMFUSA-N 320.345 0.876 0 50 DCAA Cc1csc2nc(Cn3cc(S(C)(=O)=O)cn3)cc(=O)n12 901600352 CFMAHKKIYPOEAU-UHFFFAOYSA-N 324.387 0.713 0 50 DCAA Cn1cc(N2C[C@@H](NC(=O)COc3cccnc3)CC2=O)cn1 2325774526 VTPMQZWGEKYMES-NSHDSACASA-N 315.333 0.116 0 50 DCAA CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)Nc1ccccc1 528468 VLESEFXDRIVONG-LBPRGKRZSA-N 305.334 0.972 0 50 DCAA CS(=O)(=O)N1CCC[C@@H](C(=O)NCCCN2CCCC2)C1 2944163 UDMCTCXZDDJMQI-CYBMUJFWSA-N 317.455 0.260 0 50 DCAA CC(C)[C@H]1NC(=O)[C@H]2CN(Cc3ccccc3)CCN2C1=O 14747860 KKEJOIUEZPXRIO-HUUCEWRRSA-N 301.390 0.854 0 50 DCAA OCCc1cn(C2CCN(c3ncnc4[nH]cnc34)CC2)nn1 48155867 PMOLJWWGWFITDF-UHFFFAOYSA-N 314.353 0.321 0 50 DCAA CN1CCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)C[C@H]1C(=O)O 71278963 MJHRZGMQFQMNGJ-LBPRGKRZSA-N 315.333 0.313 0 50 DCAA O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CC2(CCNCC2)CN1 72156803 AKOIPZLLOSWKBJ-ZDUSSCGKSA-N 317.389 0.763 0 50 DCAA Cc1cn(CC(=O)N2CCC[C@H]2c2ccccn2)c(=O)[nH]c1=O 72472923 BVBCMAWPZVEQGS-ZDUSSCGKSA-N 314.345 0.604 0 50 DCAA O=C1CC[C@@]2(CCOC2)CN1Cc1nc(-c2cnccn2)n[nH]1 92066856 WMUYXPWDRFWTBC-OAHLLOKOSA-N 314.349 0.791 0 50 DCAA COCc1noc(CCNC(=O)[C@@H]2CCCN(C(C)=O)C2)n1 95391239 JXDIDOTZCVZFHJ-LLVKDONJSA-N 310.354 0.133 0 50 DCAA Cc1cc(=O)[nH]c(CCNC(=O)[C@H]2COc3ccccc3C2)n1 95497777 MTOUGKCFWUYHRL-CYBMUJFWSA-N 313.357 0.988 0 50 DCAA CN(CCOc1ccccc1)C(=O)CN1C(=O)CCNC1=O 95523134 RJWFJNAEPBESTD-UHFFFAOYSA-N 305.334 0.466 0 50 DCAA COCCN(Cc1ccncc1)C(=O)[C@H]1CCS(=O)(=O)C1 97634975 ZSTINKJJJMHLHI-ZDUSSCGKSA-N 312.391 0.491 0 50 DCAA Cc1[nH]c(=O)c(C(=O)NCCN2CCCC[C@H]2CO)c(C)c1C 97822978 YFTBWVQXQZNLAR-AWEZNQCLSA-N 321.421 0.877 0 50 DCAA CCOC(=O)C1=NN[C@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]12 100057522 MHFNJSXACBOZDX-NWDGAFQWSA-N 315.329 0.684 0 50 DCAA COCCC1(C(=O)NS(=O)(=O)c2c(C)noc2C)CC1 121975384 ZRFSXZCHGGTKPT-UHFFFAOYSA-N 302.352 0.913 0 50 DCAA COCCn1ccc(C(=O)NC[C@@H]2CN(C3CC3)CCO2)n1 189811061 RKQYTOLXSYSCOW-CYBMUJFWSA-N 308.382 0.123 0 50 DCAA CCc1nc(C)c(C(=O)NCCS(=O)(=O)N2CCCC2)o1 215022054 DXWQBRUOTCQGHW-UHFFFAOYSA-N 315.395 0.701 0 50 DCAA Cc1nnnn1CCC(=O)NCc1noc(-c2ccccc2)n1 219455752 IIQGIYVKEFUOMO-UHFFFAOYSA-N 313.321 0.738 0 50 DCAA O=C(NCCc1cn2ccsc2n1)[C@H]1CCS(=O)(=O)C1 299759205 BQJNKBGXPLKBRL-VIFPVBQESA-N 313.404 0.489 0 50 DCAA O=C(N[C@H]1COC[C@@H]1N1CCCC1)c1cccn2cnnc12 299764866 USDCXRRZVHTTMY-STQMWFEESA-N 301.350 0.322 0 50 DCAA Cc1n[nH]c(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)c1Cl 299780442 JTHFVARDDKTTDZ-VHSXEESVSA-N 322.756 0.949 0 50 DCAA Cn1nccc1CCN=c1[nH]ccc(=N[C@@H]2CCCOC2)[nH]1 328633405 LYJTYLIGRZMYCX-GFCCVEGCSA-N 302.382 0.299 0 50 DCAA C[C@@H]1CN(C(=O)CCN2CCCS2(=O)=O)CC(C)(C)O1 329167726 IJUNKMKWXWLRBE-LLVKDONJSA-N 304.412 0.438 0 50 DCAA CN1CC[C@@H]2OCCN(C(=O)c3ncn(C(C)(C)C)n3)[C@@H]2C1 329596126 CAPLNSQZFVSWOH-NEPJUHHUSA-N 307.398 0.578 0 50 DCAA C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)CC1CCOCC1 329838255 NGKDVTQWDHFLCU-BXUZGUMPSA-N 302.440 0.815 0 50 DCAA O=C(COc1ccc2c(c1)CCNC2=O)NC[C@@H]1CCCO1 351890134 UAIMZHVUFMAMBE-ZDUSSCGKSA-N 304.346 0.647 0 50 DCAA CO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)CC2CCCCC2)C1 408026308 GTRCECCQYATWHR-RYUDHWBXSA-N 304.412 0.471 0 50 DCAA Cn1c(N2CCC(S(N)(=O)=O)CC2)nc2cccc(F)c21 408435899 RHILIKJRGRTITA-UHFFFAOYSA-N 312.370 0.970 0 50 DCAA Cc1nncn1CCN1CCC[C@@H](c2ccn(CCO)n2)C1 426541265 JKOVQJDDULXKDR-CQSZACIVSA-N 304.398 0.655 0 50 DCAA OC1CCN(c2cc([C@H]3CCOC3)nc(N3CC(O)C3)n2)CC1 426574743 NOECRTXBXSFIQN-NSHDSACASA-N 320.393 0.123 0 50 DCAA NCCOc1cccc(CC(=O)NCc2csc(N)n2)c1 426658223 LNNWHXLYLALHFT-UHFFFAOYSA-N 306.391 0.922 0 50 DCAA O=C(Cc1ccc2c(c1)OCCO2)N1CCn2nncc2C1 578545619 XNVKXFFBHKVRDQ-UHFFFAOYSA-N 300.318 0.634 0 50 DCAA CN(C(=O)C1=NN2CCCN=C2N1)[C@H](CO)c1ccccc1 615705685 NTTOVFRDWGNSPL-GFCCVEGCSA-N 301.350 0.157 0 50 DCAA CO[C@@H]1CN(Cc2ncnn2C(C)(C)C)C[C@H]1c1cnn[nH]1 621317064 MNQYGZRNTWLSGO-CMPLNLGQSA-N 305.386 0.766 0 50 DCAA O=C(CC1(n2cnnn2)CCOCC1)NCC[C@@H]1CC1(F)F 622206919 PSTPUFNRCITOTI-SNVBAGLBSA-N 315.324 0.730 0 50 DCAA COc1cccnc1CNC(=O)CN1CCCC[C@@H](O)C1=O 644496142 FBJVTELNNQMCFV-GFCCVEGCSA-N 307.350 0.080 0 50 DCAA O=C(O)Cn1cnc(NC(=O)c2cccc3c2OCCCO3)n1 650291328 OVNXKGNYQLZNLW-UHFFFAOYSA-N 318.289 0.776 0 50 DCAA CCS(=O)(=O)N1CCC[C@H](C(=O)N(C[C@@H](C)O)C2CC2)C1 655379115 WQTFTGRHZXGSIJ-NEPJUHHUSA-N 318.439 0.420 0 50 DCAA C[C@@H](Cn1cccn1)NC1CCN(C(=O)N2CCOCC2)CC1 670471126 BCLZBXPWWBRGCJ-AWEZNQCLSA-N 321.425 0.778 0 50 DCAA CNC(=O)[C@H](O)CNc1nc(-c2cccnc2)nc2c1CCC2 757704601 UHMGGSXMYOJWCA-CYBMUJFWSA-N 313.361 0.546 0 50 DCAA NC(=O)Cc1nc(CCCc2cn[nH]c2)n(-c2ccncc2)n1 826841839 CNEJUGKYDMGSDS-UHFFFAOYSA-N 311.349 0.589 0 50 DCAA CC[C@@H](C)[C@@H](NS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)O 829789536 XKEREGFAFJSCFR-BXKDBHETSA-N 315.395 0.997 0 50 DCAA CN1C(=O)C[C@H](C(=O)O)C12CCN(CCc1nccn1C)CC2 1529151972 IESGXJWHWVRXLN-GFCCVEGCSA-N 320.393 0.360 0 50 DCAA CC(=O)N1CCC(N2C[C@@H](O)[C@H](Cc3ccncc3)C2)CC1 1529168645 JPRBKMIZLHBKQH-NVXWUHKLSA-N 303.406 0.928 0 50 DCAA COC[C@H]1[C@@H](NC(=O)CN(C)Cc2cccnc2)[C@H]2CCO[C@H]21 1565512136 NLUNPCVBLCBIRF-YQFWSFKMSA-N 319.405 0.680 0 50 DCAA CN1C[C@H]2COC[C@@H]1CN(C(=O)Cn1nc3ccccc3n1)C2 1704307893 LVUKJTCBMBJCNG-OLZOCXBDSA-N 315.377 0.220 0 50 DCAA O=C(O)[C@H]1COCCN(C(=O)CCc2n[nH]c3c2CCCC3)C1 1775984560 ZAUJUAKMVUUBJY-LLVKDONJSA-N 321.377 0.781 0 50 DCAA O=C1NCCN(CC2COCCOC2)[C@@H]1c1cccc(F)c1 1857692856 XLYBNOVTRXCZCN-OAHLLOKOSA-N 308.353 0.962 0 50 DCAA Cc1cc(O)c(C(=O)NC2CN(C(=O)C3=C(Cl)CC3)C2)nn1 1875332827 NHNAJTFEORLFNY-UHFFFAOYSA-N 322.752 0.718 0 50 DCAA O=S1(=O)CCN(S(=O)(=O)[C@@H]2CC23CCC3)[C@@H]2CCCN21 2325783885 JFFVWZWMQFSYLL-GHMZBOCLSA-N 320.436 0.326 0 50 DCAA O[C@H]1[C@@H]2C[C@H](CNc3nccc(-n4ccnc4)n3)[C@@H](C2)[C@H]1O 2325789662 DSBWQYHZTIWFDG-KLKTVBQGSA-N 301.350 0.452 0 50 DCAA CCn1ncc(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)c1C 2538905 CAWIBQKNCMGPNV-JTQLQIEISA-N 301.368 0.697 0 50 DCAA CN1CCN(C(=O)c2cccc(CN3CCOCC3)c2)CC1 30861204 PRVUXNLZPILCKY-UHFFFAOYSA-N 303.406 0.906 0 50 DCAA O=C(O)[C@H]1CC2=C(C[C@H](C(=O)O)[C@H](C(=O)O)C2)C[C@H]1C(=O)O 43198997 KZHYIAQYXKJZHB-FIRGSJFUSA-N 312.274 0.674 0 50 DCAA CN(CCN[C@@H]1CCN(c2ccc(F)cc2)C1)S(C)(=O)=O 65396923 PWFLWFWTMNHUDW-CYBMUJFWSA-N 315.414 0.885 0 50 DCAA CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@H]1CNCCO1 71662013 IQRGCSCDLAUHSF-OAHLLOKOSA-N 300.362 0.819 0 50 DCAA Cc1cc(C)n(CC(=O)N2CCO[C@@H](C(F)(F)F)C2)c(=O)n1 71768068 IYQQAJDKLZWHDR-SNVBAGLBSA-N 319.283 0.650 0 50 DCAA O=C(CCc1cccnc1)N1CCO[C@]2(CNCCOC2)C1 72128140 NPXDXMPPULVRSQ-MRXNPFEDSA-N 305.378 0.232 0 50 DCAA CNc1nc(C(=O)N2CCNC[C@H]2C(=O)N2CCCC2)cs1 72138821 FUEVFNFNSPLHQT-NSHDSACASA-N 323.422 0.221 0 50 DCAA COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N(C)C)cc1C 72144730 DWTXXQUTZGXOCF-AWEZNQCLSA-N 319.405 0.782 0 50 DCAA O=C(C1CC1)N1CCCN(c2ncnc3c2CCNCC3)CC1 72435895 AXABQCRMELPFPY-UHFFFAOYSA-N 315.421 0.614 0 50 DCAA O=C(CCc1cc2n(n1)CCCNC2)NCCCn1ccnc1 72459045 GNEJFHJAMHNFTF-UHFFFAOYSA-N 316.409 0.712 0 50 DCAA CCOCC(=O)N1CCC2(CC1)CN(CCN(C)C)C(=O)O2 77503669 ZZFDZMUCXPKFLV-UHFFFAOYSA-N 313.398 0.398 0 50 DCAA CCC[C@H]1CN(CCCOC)C[C@@H]1NC(=O)c1cnc[nH]c1=O 91486929 CPOBIPQRXLTVSM-JSGCOSHPSA-N 322.409 0.637 0 50 DCAA Cc1nc(C)n(CCNC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)n1 91562919 UVYPJRIBTYCVNU-LBPRGKRZSA-N 307.398 0.658 0 50 DCAA COCC[C@]1(C(=O)O)CCCN(c2cc(OC)nc(N)n2)C1 92099506 PNSRQVHATUNQRB-CQSZACIVSA-N 310.354 0.775 0 50 DCAA CSCC[C@@H](N)C(=O)N1CCN(Cc2ccccn2)CC1 130994322 GSNQLWAUGUDPRE-CQSZACIVSA-N 308.451 0.806 0 50 DCAA COc1ccc(C(=O)N2CCC[C@@H](N)C2)cc1N1CCNC1=O 158373772 DKLHGQZCTZIHMC-GFCCVEGCSA-N 318.377 0.788 0 50 DCAA O=S(=O)(NCc1ccccc1OC(F)F)N1CCOCC1 170639739 PGQYUNRDGLVGGS-UHFFFAOYSA-N 322.333 0.955 0 50 DCAA O=C(Cc1ccc(F)cc1Cl)NCc1c[nH]c(=O)[nH]c1=O 215618989 YYEWJCVMVULKAF-UHFFFAOYSA-N 311.700 0.715 0 50 DCAA O=C(CCOc1ccccc1)N1C[C@H](O)[C@@H](N2CCOCC2)C1 223536942 FIRISTOVLIJRPX-HOTGVXAUSA-N 320.389 0.359 0 50 DCAA Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCO[C@@H](CC(=O)O)C1 237457449 FDDCWUONZIVOFN-MFKMUULPSA-N 323.393 0.918 0 50 DCAA O=C(NCc1ccccc1Cn1cccn1)[C@@H]1COCCN1 238033345 OBIWIXIFFBETPM-HNNXBMFYSA-N 300.362 0.536 0 50 DCAA CCN1CCN(Cc2nnc([C@H]3C[C@@H](N)C3)n2C2CC2)CC1 244748537 OJJOAMVKYKTNBP-BETUJISGSA-N 304.442 0.955 0 50 DCAA COCCN1CCN(CCC=C(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 247906502 XDBUWAUWTAINJP-CABCVRRESA-N 316.467 0.772 0 50 DCAA CCc1nc(CNC(=O)N2CCN3CCOC[C@@H]3C2)cs1 253419344 MOSJJCCUGGTCTK-LBPRGKRZSA-N 310.423 0.932 0 50 DCAA CO[C@H]1C[C@H](C(=O)N2C[C@@H]3CCC[C@H]3C2)N(S(C)(=O)=O)C1 253431604 SNWFQNQIBQVXBN-ZDEQEGDKSA-N 316.423 0.294 0 50 DCAA O=C(O)C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)n2)CCO1 261737715 NPHSIMODDVVRPF-GFCCVEGCSA-N 316.317 0.583 0 50 DCAA COc1ccc([C@H]2OCC[C@@H]2NC(=O)CN2CCCC2=O)cn1 275360181 JKDUCLOXARUCMV-BLLLJJGKSA-N 319.361 0.659 0 50 DCAA CCN(C(=O)c1cnc2c(c1)c(C)nn2C)[C@@H]1CCNC1=O 282174323 QZBGGYRFMGIBCR-GFCCVEGCSA-N 301.350 0.627 0 50 DCAA COc1ccc(CCC(=O)N2CCC[C@@](O)(C(N)=O)C2)cc1 284824913 CEBGRPHBQTZAQY-INIZCTEOSA-N 306.362 0.467 0 50 DCAA Cc1ccc(CCNC(=O)c2ncn([C@H]3CCCNC3)n2)cn1 299744149 NQZRMCDNLFMJGB-AWEZNQCLSA-N 314.393 0.879 0 50 DCAA C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H](N)Cc2ccccc2)CC1=O 299749367 KCDJNOOAJDGFQD-RZFFKMDDSA-N 301.390 0.682 0 50 DCAA O=C(NC1CCN(c2cnccn2)CC1)c1cnc(O)cn1 299799853 UMDBFRMEFCMUQU-UHFFFAOYSA-N 300.322 0.371 0 50 DCAA CC[C@H](CNC(=O)N1CCN(c2ncccn2)CC1)C(=O)O 316091666 QHLAVDYFXXTMGV-LLVKDONJSA-N 307.354 0.419 0 50 DCAA O=C(NCC1(CO)CCCC1)[C@@H]1CCCN1C1CCNCC1 318896739 JBNWYOZIMGFUOJ-HNNXBMFYSA-N 309.454 0.872 0 50 DCAA CO[C@H](C(=O)N1CCN(C(=O)[C@H](OC)C2CC2)[C@H](C)C1)C1CC1 329933635 QCXITRVXDFZVTD-BYCMXARLSA-N 324.421 0.896 0 50 DCAA CN(C)c1ncn(-c2cccc(NC(=O)c3nccnc3N)c2)n1 352210418 JTWQSVGUWGFQBZ-UHFFFAOYSA-N 324.348 0.958 0 50 DCAA CN(CC(=O)O)C[C@@H]1CN(CCOc2ccccc2)CCO1 370508783 OBPYJHNIQVCMFF-OAHLLOKOSA-N 308.378 0.783 0 50 DCAA CCc1cc(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)n[nH]1 408055482 UTPRTGBVUIPMSU-JTQLQIEISA-N 300.384 0.126 0 50 DCAA COC1([C@H](C)NC(=O)c2cc(S(N)(=O)=O)cn2C)CCC1 412774990 FOLTVMAOASZJKZ-VIFPVBQESA-N 315.395 0.360 0 50 DCAA CCN(C(=O)[C@H]1C[C@H]2CC[C@H]1NC2)[C@H](C)CS(C)(=O)=O 423195124 SFGCNDWRLNBFTP-FVCCEPFGSA-N 302.440 0.656 0 50 DCAA CCc1nc(N2CCN(CCN3CCOCC3)CC2)ncc1C 426621871 XXKQWWRQGXUMKA-UHFFFAOYSA-N 319.453 0.802 0 50 DCAA Cc1ccc2nc(CNC(=O)N3CCNC(=O)C3)[nH]c2c1C 584897965 UAZVQMXEPCRLQL-UHFFFAOYSA-N 301.350 0.821 0 50 DCAA CCCN1C(=O)N[C@H](CC(=O)N2CCn3nc(C)cc3C2)C1=O 584898654 QZQLXHCXGVQPSW-GFCCVEGCSA-N 319.365 0.254 0 50 DCAA CC[C@H]1CN(C)CCCN1C(=O)c1ccc(-n2cnnn2)cn1 614329312 FZDCLBOTTVLVDZ-LBPRGKRZSA-N 315.381 0.614 0 50 DCAA CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)c1ncn(C)n1 617590267 UKKHJWLRLKBUCM-WCQYABFASA-N 318.381 0.929 0 50 DCAA CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@@H](O)C2 823597145 CAOLVWXZRRHBKK-GFCCVEGCSA-N 306.410 0.530 0 50 DCAA CC(C)c1nc(CN2CCC[C@@](O)(Cc3nncn3C)C2)no1 888077235 VPGIUHNXAHRGOT-OAHLLOKOSA-N 320.397 0.891 0 50 DCAA COc1ccccc1S(=O)(=O)N1CCN(c2nc[nH]n2)CC1 907343357 BUWZBZMVYUTSLH-UHFFFAOYSA-N 323.378 0.324 0 50 DCAA O=C(Cn1c(=O)oc2ccccc21)N1CCN2C(=O)OC[C@H]2C1 952971841 MOIVIPHLHVDDAW-SNVBAGLBSA-N 317.301 0.258 0 50 DCAA NC(=O)[C@H]1CC=CC[C@@H]1NC(=O)COCC(F)(F)C(F)F 1565510685 OLXJDMSPNVIBBQ-YUMQZZPRSA-N 312.263 0.840 0 50 DCAA CNCc1ccc(CNC(=O)[C@]23CNC[C@H]2CCOC3)cc1 1615612638 JZDIBWFTOYKASN-WBVHZDCISA-N 303.406 0.648 0 50 DCAA Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](O)[C@@H](C(=O)O)C2)c1 1704339018 BOMPHRAMXWUQAO-NWDGAFQWSA-N 313.375 0.760 0 50 DCAA O=C(CCC(F)(F)F)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1 1857688531 OMMFYCMGYRCSJT-JOYOIKCWSA-N 308.300 0.819 0 50 DCAA O=C(NCc1cc(O)ncn1)[C@@H]1CC(=O)N(c2nccs2)C1 1857734252 GOQKUSPKHDKOBL-MRVPVSSYSA-N 319.346 0.308 0 50 DCAA O=C1CC2(CCN(C(=O)N[C@@H]3CCn4ccnc4C3)CC2)CN1 1875263299 MFZWQUWGZJJPFU-GFCCVEGCSA-N 317.393 0.510 0 50 DCAA C[C@@H]1CCCCN1c1cc(C(=O)N2C[C@@H](N)[C@H](N)C2)ccn1 1875270163 DONXKBFLPLCPLC-MRVWCRGKSA-N 303.410 0.571 0 50 DCAA C[C@@H]1O[C@H](C)Cc2c1nn(C)c2C(=O)N1CC(NC2COC2)C1 1875314018 CXZNVFFNJWUCFB-ZJUUUORDSA-N 320.393 0.255 0 50 DCAA Cn1cc(CN2CCCN(c3ncc4ncnc-4[nH]3)CC2)cn1 2325780447 GZWFFCFFAUOOFO-UHFFFAOYSA-N 312.381 0.750 0 50 DCAA COCCN1CCC[C@@]2(CCCN2C(=O)c2cn(C)cn2)C1=O 2356135834 VETFHDLUYVXWET-MRXNPFEDSA-N 320.393 0.664 0 50 DCAA COC(=O)C[C@H]1C(=O)NCCN1C(=O)c1ccc2ccccn12 2356166509 AUFRNZSYVUDHGP-ZDUSSCGKSA-N 315.329 0.443 0 50 DCAA COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(N)=O)C1 528256 IXKHIEGPBSMGHT-NSHDSACASA-N 312.391 0.890 0 50 DCAA COc1cccc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 615412 UPFUYIIMGLLNHM-UHFFFAOYSA-N 300.318 0.491 0 50 DCAA biogenic CCOC(=O)C1=NO[C@@H](CON2C(=O)c3ccccc3C2=O)C1 3883194 IDBOJVIICNRCEC-SECBINFHSA-N 318.285 0.922 0 50 DCAA CC(C)NC(=O)N[C@@H]1[C@@H](NC(=O)NC(C)C)N(C)C(=O)N1C 4802747 QADUZHOMNVUIAR-UWVGGRQHSA-N 314.390 0.051 0 50 DCAA O=C(Cn1ncc(N2CCCC2)cc1=O)N[C@@H]1CCCOC1 19866688 LZAHJHSKMYJIGH-GFCCVEGCSA-N 306.366 0.139 0 50 DCAA CCCC(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1 35655462 CPZSDJKRIAMCOV-UHFFFAOYSA-N 311.426 0.474 0 50 DCAA CC(C)N1C[C@H](O)[C@@H](NCC(=O)NCCc2ccc(F)cc2)C1 65451733 NJNPOKBILALQKO-HOTGVXAUSA-N 323.412 0.528 0 50 DCAA CN(Cc1ccccc1)[C@H]1CCCN(C(=O)CNC(N)=O)C1 72138687 DRSLPCNIQWKDIJ-AWEZNQCLSA-N 304.394 0.778 0 50 DCAA Cc1nc(NCCN(C)S(C)(=O)=O)c2c(C)nn(C)c2n1 72432795 REBWQAQJGFLEIL-UHFFFAOYSA-N 312.399 0.283 0 50 DCAA CCN1C[C@@H](C(=O)NCc2nc(CSC)no2)CCC1=O 91410174 WXHLWYMESFLHGX-VIFPVBQESA-N 312.395 0.807 0 50 DCAA Nc1nc(CNC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)n[nH]1 91474678 VZYQSSZHJYITIU-UHFFFAOYSA-N 301.285 0.846 0 50 DCAA COCC[C@@]1(CO)CCCN(C(=O)CCc2cnn(C)c2)C1 91663771 FUOUBBGJYIRQFY-INIZCTEOSA-N 309.410 0.990 0 50 DCAA CCOCCS(=O)(=O)N1CCC(CN2CCOCC2)CC1 170663696 XPWLQAXNSJBLCN-UHFFFAOYSA-N 320.455 0.397 0 50 DCAA C[C@H]1CN(C(=O)C[C@H]2CCCCO2)CCN1S(C)(=O)=O 180294556 CABKJOQZVWKTLI-NWDGAFQWSA-N 304.412 0.438 0 50 DCAA CCn1cc(C(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)cn1 219173550 GAOMSEBRRYBBDT-UZANAETPSA-N 303.366 0.879 0 50 DCAA Cc1cc(C)n(CC(=O)N2CCC[C@H]2c2nc(C)n[nH]2)c(=O)n1 222961665 DLDCDOXXDIYZHQ-LBPRGKRZSA-N 316.365 0.650 0 50 DCAA O=C(COC[C@@H]1CCCCO1)N1CCc2[nH][nH]c(=O)c2CC1 244659701 HHKHMUBLRRZTMK-NSHDSACASA-N 309.366 0.216 0 50 DCAA O=C(CN1CCC[C@H]1CO)NC[C@H]1COc2ccccc2O1 247794209 BSYDPSFPONLUCZ-STQMWFEESA-N 306.362 0.399 0 50 DCAA O=S1(=O)CC[C@H](N2CCN(c3ncc(Cl)cn3)CC2)C1 253419889 SWDAUTFJKYGQMS-NSHDSACASA-N 316.814 0.439 0 50 DCAA CCc1cnc(CN(C(C)=O)[C@@H]2CCN([C@H]3CCOC3=O)C2)o1 257365950 CXWGGNKRUDIKNM-OCCSQVGLSA-N 321.377 0.975 0 50 DCAA COC(=O)c1cc(S(=O)(=O)N(C)CCCC(=O)O)oc1C 270526668 SUGIYHQZHVQMCJ-UHFFFAOYSA-N 319.335 0.860 0 50 DCAA Cn1cnc2c(C(=O)N3CCO[C@]4(CCOC4)C3)ccnc21 287717143 DQODBPQRVCHKBP-OAHLLOKOSA-N 302.334 0.600 0 50 DCAA O=C(NCCc1ccc(Br)cc1)[C@@H]1C[C@@H](O)CN1 299738377 QARAYBWMYOKEMO-NEPJUHHUSA-N 313.195 0.831 0 50 DCAA COc1ccc([C@H]2[C@@H](C(=O)N[C@@H](C)C(=O)O)CC(=O)N2C)cc1 299740083 VNIWIJPDBCZFQP-WFBYXXMGSA-N 320.345 0.804 0 50 DCAA O=C(CCc1ccc(C(=O)O)cc1)N[C@@H]1CCS(=O)(=O)C1 299749463 KKACKXDHBVSAOA-GFCCVEGCSA-N 311.359 0.621 0 50 DCAA COc1ccc2[nH]c(CNC(=O)[C@H]3CCS(=O)(=O)C3)nc2c1 299773351 FIUFABIQQFGJCK-VIFPVBQESA-N 323.374 0.622 0 50 DCAA CO[C@@H]1CN(C(=O)CCCN2C(=O)CN(C)C2=O)CC[C@@H]1C 330941684 FTDWAXDUVGTFOL-NWDGAFQWSA-N 311.382 0.544 0 50 DCAA CN(C[C@@H]1CCCN(C(=O)[C@](C)(O)C2CC2)C1)S(C)(=O)=O 331923790 FXULCWPMMTXZBE-SMDDNHRTSA-N 318.439 0.277 0 50 DCAA CNS(=O)(=O)[C@H]1CCCN(Cc2cccc3nccn23)C1 362240709 WAWKKDWZHCQWNQ-ZDUSSCGKSA-N 308.407 0.848 0 50 DCAA Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H]1CCC(=O)NC12CCC2 366985031 ZOGKQCKTBACZAG-NSHDSACASA-N 318.377 0.537 0 50 DCAA CCCCN1CCC([C@H](O)c2cn(C)c(=O)n(C)c2=O)CC1 371097539 FYPBHUOALWCYNR-AWEZNQCLSA-N 309.410 0.630 0 50 DCAA C[C@@H]1CN(CCc2nc(O)c3ccccc3n2)C[C@H]1C(N)=O 408473986 WZTQKXCFZDXEEK-ZYHUDNBSSA-N 300.362 0.931 0 50 DCAA CC[C@H](NC(=O)N1[C@H]2CC[C@H]1CC(=O)C2)C(=O)N1CCOCC1 408523905 OJZQADKROFZDRJ-OBJOEFQTSA-N 323.393 0.529 0 50 DCAA NC(=O)C1(NC(=O)Cn2nccc2[C@H]2CCCNC2)CCCC1 426505967 XKJMFIZREIFRBV-LBPRGKRZSA-N 319.409 0.264 0 50 DCAA COCCN(Cc1cnn(C)c1)C(=O)NCc1nccn1C 426530855 OOTRQVYWGPHXMA-UHFFFAOYSA-N 306.370 0.512 0 50 DCAA Cc1ncnc(N[C@@H]2CCN(CC(=O)N(C)C)C[C@H]2O)c1C 426684547 SHWLOWFQJCXXCB-CHWSQXEVSA-N 307.398 0.029 0 50 DCAA C[C@H]1CCCN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1 585090327 GMERVXYHTQYFFU-AAEUAGOBSA-N 323.368 0.960 0 50 DCAA Cc1nnc(COC2CN(C(=O)[C@H]3CCCc4n[nH]cc43)C2)o1 644212500 JKKXXCKIZPIIQD-NSHDSACASA-N 317.349 0.949 0 50 DCAA Cc1nnc2n1C[C@@H](C(=O)N1CCc3ccccc3C1)N(C)C2 644232076 RMZZDZQQMWGKIQ-HNNXBMFYSA-N 311.389 0.985 0 50 DCAA O=C(N[C@H](Cc1ccncc1)C(=O)O)c1cnn2c1CCC2 655602397 YBUUOTVTTBMVBP-GFCCVEGCSA-N 300.318 0.650 0 50 DCAA C[C@@H]1CN(C(=O)c2nc[nH]c3nccc2-3)C[C@@H]1N1CCOCC1 669321496 PYCMMWZOAOZPEB-YPMHNXCESA-N 315.377 0.702 0 50 DCAA COCCC1(C(=O)N2CCC[C@](O)(Cn3ccnn3)C2)CC1 671471888 YMBJZFKEMIEXQL-OAHLLOKOSA-N 308.382 0.448 0 50 DCAA O=C(N[C@H]1COC[C@H]1Oc1cn[nH]c1)c1ccc(CO)cc1 685941760 IDJFDQAXOCUVSU-UONOGXRCSA-N 303.318 0.478 0 50 DCAA Cn1cc(O[C@@H]2COC[C@@H]2NC(=O)Cc2cncc(O)c2)cn1 862921626 ABUYWCOWUJBZQR-UONOGXRCSA-N 318.333 0.026 0 50 DCAA CC(=O)NCc1cc(O[C@H]2CCN(C(=O)CN(C)C)C2)ccn1 886089083 WFQYGYBMBUDBJI-HNNXBMFYSA-N 320.393 0.259 0 50 DCAA Cc1nc(S(=O)(=O)N[C@H]2C[C@H](N(C)C)C2(C)C)cn1C 888095678 QAIAMLXSVIOSGZ-QWRGUYRKSA-N 300.428 0.736 0 50 DCAA CS(=O)(=O)c1ccccc1CN[C@H]1CCCS(=O)(=O)C1 894904549 SWCSXEAPPCEIRU-LBPRGKRZSA-N 317.432 0.757 0 50 DCAA Cc1oc(C2CC2)nc1C(=O)N1C[C@@H]2COCC[C@]2(C(N)=O)C1 952851303 XIOZNBUKUPLTGI-BZNIZROVSA-N 319.361 0.824 0 50 DCAA C[C@H]1CN(C(=O)CN(C)Cc2cnn3c2CNCC3)C[C@@H](C)O1 952889416 CDLFCEJEQGVZCQ-BETUJISGSA-N 321.425 0.054 0 50 DCAA CNS(=O)(=O)CCCn1cc(-c2cccc(OC)n2)nn1 1616038485 NEJLNGYAJWZIIX-UHFFFAOYSA-N 311.367 0.288 0 50 DCAA Cc1cc(C[C@@H]2CN(C(=O)c3cncc(O)c3)C[C@@H]2O)on1 1704338440 AJPYUILJOPUPJF-RISCZKNCSA-N 303.318 0.759 0 50 DCAA CCNc1ncc(CN2C[C@@H](O)[C@H](Cc3cc(C)[nH]n3)C2)cn1 1704353849 UIEBGMUMIWOVOU-UKRRQHHQSA-N 316.409 0.975 0 50 DCAA Cc1cn(CC(=O)N[C@H]2CCCN3CCC[C@@H]23)c(=O)nc1O 1772813920 BDKSMUPSYAPZGY-RYUDHWBXSA-N 306.366 0.000 0 50 DCAA CCOC(=O)c1[nH]nnc1[C@H]1CCCN1CCC(=O)N(C)C 1775986673 MGSMJRLLHNBCSK-SNVBAGLBSA-N 309.370 0.597 0 50 DCAA Cc1nc[nH]c1CC(=O)N[C@@H]1C[C@H]2CO[C@@H](C(C)C)CN2C1 1857725385 UIBOTVHPGMXXFX-VNHYZAJKSA-N 306.410 0.875 0 50 DCAA CC(C)C[C@@H](NC(=O)CCC1(N)CC1)C(=O)N=c1cc[nH][nH]1 2325850991 MNGICOVYQFMPMV-LLVKDONJSA-N 307.398 0.573 0 50 DCAA COc1cc2nn[nH]c2cc1C(=O)N(CC(=O)O)CC1CC1 2325852301 ZKGPNUPUQKENJK-UHFFFAOYSA-N 304.306 0.903 0 50 DCAA Cc1ccc(C(=O)O)cc1S(=O)(=O)NCCCC(=O)O 2671167 OTCCQNUYFQDCIA-UHFFFAOYSA-N 301.320 0.836 0 50 DCAA COc1ccc(N2C[C@@H](C(=O)N3CCN(C)CC3)CC2=O)cc1 19928767 FSHAUEUMDBITQL-ZDUSSCGKSA-N 317.389 0.822 0 50 DCAA CS(=O)(=O)N1CC[C@H](C(N)=O)Oc2ccc(Cl)cc21 35511739 OKZQEUAVWXYYKV-SNVBAGLBSA-N 304.755 0.742 0 50 DCAA COc1ncccc1C(=O)N1C[C@H](N)C[C@H]1C(=O)NC(C)C 67677031 MAJSLXTVFDMZDG-PWSUYJOCSA-N 306.366 0.157 0 50 DCAA CC(C)NC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1n[nH]c2c1CCCC2 67772528 WOGBNELQLACBFY-MFKMUULPSA-N 319.409 0.355 0 50 DCAA CN(C)CCNc1cc(-c2c[nH]c(=O)[nH]c2=O)c2cc[nH]c2n1 72132011 IHJSVYCPHGRJBB-UHFFFAOYSA-N 314.349 0.580 0 50 DCAA Cn1cccc1-c1cc(C(=O)N2CCO[C@@H](C(=O)O)C2)[nH]n1 72469960 CWJKDADCUOGARA-GFCCVEGCSA-N 304.306 0.341 0 50 DCAA NS(=O)(=O)c1ccc(-c2nc(-c3cccnn3)no2)cc1 82097984 WNMIXMCJHVITKI-UHFFFAOYSA-N 303.303 0.841 0 50 DCAA COc1cccc2c1OC[C@H](C(=O)NCCN1CCOC1=O)C2 91519323 LMVUJCDNWKKLEI-GFCCVEGCSA-N 320.345 0.815 0 50 DCAA CN(C)C(=O)N1CCC[C@H](C(=O)N(C)Cc2cnc(N)nc2)C1 95377310 DBFNLXCWFGHECN-LBPRGKRZSA-N 320.397 0.411 0 50 DCAA 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CN(C)c1ccc(C(=O)N2CCC[C@@]3(CNC(=O)C3)C2)cn1 408245524 GSBULZDQZBBVBV-MRXNPFEDSA-N 302.378 0.890 0 50 DCAA Cn1nnc2c1C[C@@H](C(=O)NS(=O)(=O)c1ccccc1)CC2 408474429 WLYYFRCLWSAAFH-JTQLQIEISA-N 320.374 0.425 0 50 DCAA Nc1nc(O)cc(N2CCN(C(=O)CCC(F)(F)F)CC2)n1 426409584 ZCBATGNJNHBZRI-UHFFFAOYSA-N 319.287 0.756 0 50 DCAA Cn1cnnc1CCC(=O)N[C@@H]1CCCN(c2ncccn2)C1 426442699 RCUPIEKWWIEIPS-GFCCVEGCSA-N 315.381 0.323 0 50 DCAA O=C(NCC[C@@H]1COc2ccccc2O1)NCc1nc(O)n[nH]1 426563153 SUYIRNPMHASIMD-SECBINFHSA-N 319.321 0.540 0 50 DCAA CS(=O)(=O)N(Cc1ccccc1)Cc1nnc2n1CCOC2 435663061 LULNJUKBJOONEL-UHFFFAOYSA-N 322.390 0.770 0 50 DCAA CC(=O)c1c(C)nn(CCC(=O)NCCn2ccnn2)c1C 534586699 YFBFAAANUBKPEL-UHFFFAOYSA-N 304.354 0.501 0 50 DCAA Cc1nnccc1C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 583619551 OUFLZFQYVDUBJF-HIFRSBDPSA-N 311.345 0.882 0 50 DCAA CCN1C[C@@H](CNC(=O)c2cccc(-n3cnnc3)c2)CC1=O 584902571 PFRAHKCONZJHLN-GFCCVEGCSA-N 313.361 0.866 0 50 DCAA O=C(N[C@H]1C[C@H](c2ccccc2F)C1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 614371990 HVEPKAFGHGXRCQ-SJWGDGNFSA-N 321.348 0.601 0 50 DCAA N[C@@H]1CCCCCN(C(=O)C(=O)N2CC[C@H](CCCO)C2)C1 633102736 IVFLYQOSNJWQSJ-UONOGXRCSA-N 311.426 0.337 0 50 DCAA O=C(NCc1cccc2c1CCOC2)N1CC[C@H](O)[C@@H](CO)C1 637698748 JGJKPLGIOWHBMB-ZBFHGGJFSA-N 320.389 0.644 0 50 DCAA CNC(=O)C[C@@]1(O)CCCN(C(=O)c2ccc3c(c2)OCO3)C1 644031903 LBWRDOPBKXPJQE-INIZCTEOSA-N 320.345 0.519 0 50 DCAA O=C(N[C@@H]1CCOc2ccccc21)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 646585334 DTGDHUVOVDFSHE-RGCMKSIDSA-N 305.330 0.039 0 50 DCAA C[C@@H]1CN(C(=O)NCc2ncc3c(n2)CCOC3)[C@H](C)CO1 651207904 BRQHHHHLFFMKTP-GHMZBOCLSA-N 306.366 0.868 0 50 DCAA CNC(=O)[C@@H]1CC(=O)N(C2CN(C(=O)C(C)=C3CCCC3)C2)C1 685941284 BYEJFIDXCNEWPK-CYBMUJFWSA-N 319.405 0.682 0 50 DCAA CCOc1ccccc1CNC(=O)[C@@H]1Cn2c(C)nnc2CN1 818056801 HEYJMRCHISXSDY-ZDUSSCGKSA-N 315.377 0.773 0 50 DCAA CCn1nc(C)c([C@H](C)NC(=O)CCCS(N)(=O)=O)c1C 823593368 JURDZHCQRFAOEP-VIFPVBQESA-N 316.427 0.766 0 50 DCAA CN(CCF)S(=O)(=O)c1ccc(OCC(=O)O)c(F)c1 926551137 GQBYQMJUUHRYEC-UHFFFAOYSA-N 309.290 0.879 0 50 DCAA O=C1NCC2(CCOCC2)[C@@H]1NCc1noc2c1CCCC2 933039186 SCNPEFVXIBWMIX-CQSZACIVSA-N 305.378 0.938 0 50 DCAA CNC[C@H](O)CN1CCC(n2c(O)nc3ccccc32)CC1 952878141 ZFEJRBHOHAJHPX-ZDUSSCGKSA-N 304.394 0.959 0 50 DCAA Nc1ccnc(N2CCC(CNC(=O)[C@@H]3CCCO3)CC2)n1 952967232 HDSKBLYPPDNPIF-LBPRGKRZSA-N 305.382 0.570 0 50 DCAA O=C(C(=O)N1CC[C@@H]2OCc3cnnn3[C@@H]2C1)c1ccccc1 1076038533 PQVRZKFHFZXGMU-KGLIPLIRSA-N 312.329 0.833 0 50 DCAA COC(=O)c1cc(NC(=O)c2c(C)c(C)nn(C)c2=O)nn1C 1462209867 OWGNSKZFTWSDCS-UHFFFAOYSA-N 319.321 0.170 0 50 DCAA COC[C@]1(C(=O)O)CCCN1Cc1ccc(C(=O)N(C)C)[nH]1 1606833519 HCNWZBUECBHHJL-HNNXBMFYSA-N 309.366 0.782 0 50 DCAA C[C@H](NC(=O)NCc1ccnc(N2CCN(C)CC2)n1)C1CC1 1615627620 PKZXBCAAHFEKBS-LBPRGKRZSA-N 318.425 0.826 0 50 DCAA CN1CCCC[C@@H]1C(=O)N1CCCN(CCn2cnnc2)CC1 1772707828 ZQIZSDKTABTZAO-OAHLLOKOSA-N 320.441 0.297 0 50 DCAA O=C(Nc1cnn(-c2ccccc2)n1)N1CCCC1(CO)CO 1776002975 OWFYAZWFLVSXSI-UHFFFAOYSA-N 317.349 0.618 0 50 DCAA Cc1c(C(=O)N[C@]2(C(N)=O)C[C@H](O)C2)nc(O)c2ccccc12 1875338721 IXWNRVBHFRGBNP-IKCYDLRASA-N 315.329 0.357 0 50 DCAA CC(=O)N1CCO[C@@H]2CN(C(=O)c3nc([C@@H]4C[C@H]4C)no3)C[C@@H]21 1875392065 MPDSKCCPDUAQQO-KXGXSXBTSA-N 320.349 0.265 0 50 DCAA COCC1(CS(=O)(=O)N[C@@H]2CC[C@H](C)NC2=O)CCC1 2325782643 QGTYSSLRRVNAGZ-WDEREUQCSA-N 304.412 0.390 0 50 DCAA CCOC(=O)c1nnn(-c2nonc2N)c1CN(CC)CC 49017 IYBJLGBQSOUVMG-UHFFFAOYSA-N 309.330 0.251 0 50 DCAA CC(=O)NC1CCN(C[C@]2(O)CCCN(CC3CC3)C2=O)CC1 67956437 UOUUKGQKPVMZGX-QGZVFWFLSA-N 323.437 0.350 0 50 DCAA Cn1nnc(NS(=O)(=O)c2ccccc2Br)n1 127691726 MMILELGVZUPHQG-UHFFFAOYSA-N 318.156 0.773 0 50 DCAA CN(C)C[C@@]1(O)CCN(C(=O)c2ccc(Cn3ccnc3)o2)C1 72150285 VLCKKEQLUOESHC-INIZCTEOSA-N 318.377 0.663 0 50 DCAA CS(=O)(=O)C1(C(=O)N2CC[C@H](OCc3ccncc3)C2)CC1 329646428 BABPKFLLZIHCEX-ZDUSSCGKSA-N 324.402 0.776 0 50 DCAA Cn1c(CN2CC[C@@H](O)c3ccccc3C2)cc(=O)n(C)c1=O 368225998 YRLQSZXXYXWLBP-OAHLLOKOSA-N 315.373 0.523 0 50 DCAA O=C(CN(CCCO)CC(F)(F)F)N1CCOC[C@H]1C1CC1 372318518 LIJAKVXLPALBGW-LBPRGKRZSA-N 324.343 0.871 0 50 DCAA COc1cnc(C(=O)N2CCCC[C@H]2CN2CCOCC2)nc1 340169174 ODGLSLJVGGLGTM-ZDUSSCGKSA-N 320.393 0.812 0 50 DCAA O=C(CN1CCNC(=O)[C@@H]1c1cccs1)NC[C@H]1CCCO1 333298867 MBUNONNCZYAQKU-RISCZKNCSA-N 323.418 0.516 0 50 DCAA Cc1noc([C@H]2C[C@@H](O)CN2[C@H]2CCCN(C(C)C)C2=O)n1 333392519 HGAUAQSDSJEZOQ-FRRDWIJNSA-N 308.382 0.885 0 50 DCAA CCn1ncnc1[C@H](NC(=O)c1nc2ncccn2n1)C1CC1 215319271 XKOYUTBINOTFGE-SNVBAGLBSA-N 312.337 0.617 0 50 DCAA Cc1cc(C)n2cc(CNC(=O)C[C@@H]3NC(=O)NC3=O)nc2c1 216360585 JWDYALTVMXDFCJ-NSHDSACASA-N 315.333 0.165 0 50 DCAA C=CC(=O)NCCC(=O)N1CC[C@@](C(=O)OC)(C(F)(F)F)C1 285960835 AKHHVGFDZVWHFY-GFCCVEGCSA-N 322.283 0.633 0 50 DCAA Cn1ccnc1SCCNC(=O)CSc1nncn1C 215693393 OIYMBZXSSWKDSY-UHFFFAOYSA-N 312.424 0.549 0 50 DCAA NC(=O)CO[C@@H]1COCC[C@H]1NC(=O)CCCc1ccccc1 220164188 OMSJZHNGZINMLC-HUUCEWRRSA-N 320.389 0.785 0 50 DCAA CCc1ccc(CN(C)C(=O)NCCCc2nn[nH]n2)nc1 426580791 NXIJEZYETVKCIB-UHFFFAOYSA-N 303.370 0.931 0 50 DCAA O=C(NCCN1CCNC1=O)[C@H]1CCCN(Cc2ccco2)C1 95362915 HNRDVFYECYECQI-ZDUSSCGKSA-N 320.393 0.633 0 50 DCAA COc1ccnc(C(=O)NCC2(CN3CCN(C)CC3)CC2)c1 426408919 JDGXFPDAADFQOL-UHFFFAOYSA-N 318.421 0.848 0 50 DCAA O=C(Cc1cnc2ncnn2c1O)N[C@@H](CO)c1ccccc1 230273442 IAPLIJLYRSODOD-LBPRGKRZSA-N 313.317 0.222 0 50 DCAA CC1(C)OC(=O)N(CC(=O)N2CCC(c3ncon3)CC2)C1=O 95500111 XSOYTQUDAFWUBW-UHFFFAOYSA-N 322.321 0.533 0 50 DCAA Cc1nc(C2CC2)ncc1C(=O)NCCS(=O)(=O)N(C)C 97532458 ZESCSBHEXSGWED-UHFFFAOYSA-N 312.395 0.284 0 50 DCAA C[C@]1(C(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)CCCO1 299744839 QEEPAAFQIHUJBW-QMTHXVAHSA-N 307.354 0.110 0 50 DCAA COc1cncc([C@@H](NS(=O)(=O)N(C)C)[C@H]2C[C@@H](O)C2)c1 252527469 CPVJODDRCGLFPY-NDMJEZRESA-N 315.395 0.298 0 50 DCAA O=C(O)[C@H]1CCCN(C2CCN(C(=O)c3nc[nH]n3)CC2)C1 534654470 SETVVBDETQCCFD-JTQLQIEISA-N 307.354 0.206 0 50 DCAA CNC(=O)Cn1cc(NC(=O)c2ccc3c(c2)CCO3)cn1 617158294 PPXAWVXFBRUODY-UHFFFAOYSA-N 300.318 0.816 0 50 DCAA CC(=O)N1CCC[C@@H](CNc2nc(N)c3cnn(C)c3n2)C1 280493069 OQTQLXWPDWLCCU-JTQLQIEISA-N 303.370 0.616 0 50 DCAA O=C(NCc1nncn1C1CCCCC1)c1c[nH]c(=O)cn1 828930825 LHFCSFZJUKHSIR-UHFFFAOYSA-N 302.338 0.797 0 50 DCAA O=S(=O)(c1cccnc1)N1C[C@H](O)[C@@H](N2CCCCC2)C1 828896648 FBIYBBFJISRVOJ-KBPBESRZSA-N 311.407 0.301 0 50 DCAA CO[C@H]1COC[C@@H]1NS(=O)(=O)c1c(C)nn(C(C)C)c1C 824506854 VJUVXBJZHXSOLC-RYUDHWBXSA-N 317.411 0.773 0 50 DCAA Cc1nc(C)c(CC(=O)N2CCN3C(=O)OC[C@H]3C2)c(O)n1 584895446 KQQDBTNAOJUYDK-SNVBAGLBSA-N 306.322 0.005 0 50 DCAA Cn1c(=O)nc(O)c2nc(/C=C(\O)c3cccs3)c(=O)[nH]c21 585152457 JOJQXGNSQCVEDO-ALCCZGGFSA-N 318.314 0.840 0 50 DCAA O=C(c1ccc(CO)o1)N1CCC(O)(CN2CCCC2)CC1 584897024 GJFYBJOBXKVZON-UHFFFAOYSA-N 308.378 0.835 0 50 DCAA CN(C)C(=O)[C@@H]1CN(CC(=O)NC2CCCCCC2)CCO1 670452763 YFSAAXSRKKQMLX-AWEZNQCLSA-N 311.426 0.614 0 50 DCAA Cc1nonc1CNC(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C 873284814 WESLTTZZOXIYJH-JQWIXIFHSA-N 309.370 0.383 0 50 DCAA CCC1(C(=O)NC[C@H]2C[C@H](c3nncn3C)C[C@H]2O)COC1 952848591 JKDYCDQVQBYTIN-QJPTWQEYSA-N 308.382 0.212 0 50 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DCAA Cc1cnc(CNC(=O)c2ccc(Cn3nnnc3C)cc2)[nH]1 426527031 SVHNGFIDKRGIPI-UHFFFAOYSA-N 311.349 0.991 0 50 DCAA COc1ncnc(N(C)C)c1NC(=O)[C@@H]1CCCN(C(C)=O)C1 269190188 LULIJTFORISMMJ-LLVKDONJSA-N 321.381 0.748 0 50 DCAA CO[C@@]12CC[C@@H](OCCO)C[C@@H]1N(c1cc(C)nc(N)n1)CC2 426656940 KUCWHTNSPJEABO-DVOMOZLQSA-N 322.409 0.893 0 50 DCAA CN1CCN(C(=O)CN2CCc3ccccc3C2)C[C@H](O)C1 97743623 SRHIDPVQSDIGNZ-MRXNPFEDSA-N 303.406 0.180 0 50 DCAA COc1ccc2[nH]c(CNC(=O)CN3C(=O)CNC3=O)cc2c1 91818501 JYONTJQMIXUNAY-UHFFFAOYSA-N 316.317 0.345 0 50 DCAA CC[C@@H]1C(=O)N(C)CCN1C(=O)c1nnc2nc(C)ccn12 426397651 WJBVHOXTJIXARC-SNVBAGLBSA-N 302.338 0.126 0 50 DCAA O=C(Cn1ncc(N2CCCCC2)cc1=O)NC[C@@H]1CCCO1 95369049 CJLHMXGGTNRYPI-AWEZNQCLSA-N 320.393 0.529 0 50 DCAA COCC(=O)N1CCC[C@H](c2nnc(Cn3cccn3)n2C)C1 91664079 XUUSKNZUXWSYSY-LBPRGKRZSA-N 318.381 0.412 0 50 DCAA CCC1=NO[C@H](CNC(=O)c2ccc(-n3cnnc3)nc2)C1 97732412 WWNVVTDTPVNZMZ-LBPRGKRZSA-N 300.322 0.947 0 50 DCAA Cc1nccn1CCN(C)CCC(=O)N1CCC(C(=O)O)CC1 244795694 RLYIFXLCFYHJJU-UHFFFAOYSA-N 322.409 0.837 0 50 DCAA O=C1CCCN1C[C@@H](O)CN1CCCN(c2ccccn2)CC1 183782136 CFJRLOWWXMMHTG-HNNXBMFYSA-N 318.421 0.577 0 50 DCAA NC(=O)[C@H](O)C1CCN(Cc2ccc3c(c2)OCCO3)CC1 299741059 CNKKAJFRDOZSSA-OAHLLOKOSA-N 306.362 0.516 0 50 DCAA Cc1nn(C)c(Cl)c1S(=O)(=O)NCCc1ncc[nH]1 534651740 ZWRSFZRGBZPKEP-UHFFFAOYSA-N 303.775 0.626 0 50 DCAA Cc1noc(C)c1CCC(=O)N1CC[C@@H](CS(N)(=O)=O)C1 299791416 CPCAIIAOVDZCGG-LLVKDONJSA-N 315.395 0.361 0 50 DCAA Cn1nc(C(F)(F)F)cc1C(=O)NCCN1CCNC1=O 299773317 DNSTXLFYXUWLME-UHFFFAOYSA-N 305.260 0.194 0 50 DCAA CC(C)Cn1nccc1NC(=O)NCCCN1CCNC(=O)C1 299773562 FYTRZYUKPRQBMD-UHFFFAOYSA-N 322.413 0.483 0 50 DCAA Cc1cc2nc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)cc(C)n2n1 670452178 AHYRARRDTRFDQJ-CQSZACIVSA-N 322.390 0.653 0 50 DCAA CC[C@H]1CN(C(=O)NCc2nonc2C)C[C@@H]1N1CCOCC1 876439402 KPQXUUVTVIVQII-JSGCOSHPSA-N 323.397 0.630 0 50 DCAA O=C(Nc1cnc(N2CCNCC2)nc1)[C@H](O)C1CCCCC1 1771873595 XVZVGTMMDFSBLH-CQSZACIVSA-N 319.409 0.766 0 50 DCAA COCC1(S(=O)(=O)N[C@@H]2CCc3nc(C)nn3C2)CCC1 1463003048 JISLAJPCZJKMMY-LLVKDONJSA-N 314.411 0.390 0 50 DCAA COc1cccc2[nH]cc(CC(=O)N3C[C@@H](O)C[C@H]3CO)c12 274824044 QEIIKXMGMIHWMX-RYUDHWBXSA-N 304.346 0.673 0 50 DCAA O=C1COc2cc(C(=O)N[C@@]3(CCO)CCOC3)ccc2N1 278059998 KBRZVDDUKDKNIZ-HNNXBMFYSA-N 306.318 0.289 0 50 DCAA Cc1nc(C)c(C(=O)NS(=O)(=O)c2cn(C)c(C)n2)s1 408501369 PETQUEWJBZDXOT-UHFFFAOYSA-N 314.392 0.921 0 50 DCAA CNC(=O)[C@@]1(COC)CCCN1Cc1ccc2c(c1)nnn2C 643765095 MBEXLWBSOHBYMD-INIZCTEOSA-N 317.393 0.695 0 50 DCAA CC[C@@H](C(=O)O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 191427577 RVTCBBLKVUDKPQ-NSHDSACASA-N 310.354 0.402 0 50 DCAA O=S(=O)(C[C@@H]1COCCO1)NCCNc1ccccc1 1616036518 WRBCKKXRTYWRLG-ZDUSSCGKSA-N 300.380 0.433 0 50 DCAA Cc1[nH]c(N)nc1C(=O)N1CCNC(=O)[C@@H]1c1cccc(F)c1 1775981912 KFUQHCQSHGTBLI-LBPRGKRZSA-N 317.324 0.753 0 50 DCAA COCCNC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 5543976 CLUSBYPYMJDIMO-UHFFFAOYSA-N 300.380 0.524 0 50 DCAA CCCCCn1c(NCCCO)nc2c1c(=O)[nH]c(=O)n2C 12377495 JGOVZUJAGKTAHC-UHFFFAOYSA-N 309.370 0.408 0 50 DCAA O=C(Nc1cnc2ccccn2c1=O)c1cn2c(n1)CCNCC2 1857739284 HLAYAKNHFBFSHS-UHFFFAOYSA-N 324.344 0.289 0 50 DCAA CN(Cc1nc(-c2ccccn2)no1)C(=O)[C@H]1C[C@H](N)[C@@H](O)C1 1857719293 IVWDTFJVRRKJIY-NHCYSSNCSA-N 317.349 0.188 0 50 DCAA CO[C@@H]1[C@H]2C[C@@H]3CN(S(=O)(=O)[C@@H]4CCO[C@@H]4C)[C@@H]1[C@H]3C2 329082389 SENCLJYPXBNPQQ-GDJPEOAQSA-N 301.408 0.849 0 50 DCAA O=C(O)[C@H]1COCCN1C(=O)c1ccc(-n2ccnn2)cc1 262062584 BXYVKTZHQXPKMQ-GFCCVEGCSA-N 302.290 0.193 0 50 DCAA O=C(O)[C@@H]1CN(C(=O)c2ccccc2Cn2cncn2)CCO1 262053242 FVOWGMWPMXYGIH-ZDUSSCGKSA-N 316.317 0.252 0 50 DCAA C=CC(=O)N(CC)CC(=O)N1CCNC(=O)[C@@H]1c1cccs1 900875162 FCZBEQZTDOEBKQ-AWEZNQCLSA-N 321.402 0.782 0 50 DCAA O=C(NS(=O)(=O)Cc1ccccn1)[C@@H]1C[C@H]1C1CCNCC1 901020470 WHFSMGVKAAGBNX-UONOGXRCSA-N 323.418 0.663 0 50 DCAA C[C@H](c1ccccc1)[C@H](NC(=O)CCc1nn[nH]n1)C(=O)O 2325870479 ZBTZYEGJDPDJKD-RNCFNFMXSA-N 303.322 0.505 0 50 DCAA COC(=O)C1=NN[C@@H]2C(=O)N(c3cc(Cl)ccc3C)C(=O)[C@@H]12 100628293 ZOQPQDXPGPZXDV-ZJUUUORDSA-N 321.720 0.639 0 50 DCAA CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)OC)cc1 55421993 CTSPYXVEGKROAA-CQSZACIVSA-N 306.362 0.949 0 50 DCAA Cc1ccc([C@H](C(=O)N2CCS(=O)(=O)CC2)N(C)C)cc1 65384078 WBMHQLUGMVBXLF-CQSZACIVSA-N 310.419 0.855 0 50 DCAA CCN1CCN(C(=O)Cn2ccccc2=O)C[C@H]1c1ncc[nH]1 328640969 XRUYDNUAVQHHJM-ZDUSSCGKSA-N 315.377 0.477 0 50 DCAA Cn1nncc1S(=O)(=O)NC[C@@H](CO)CC1CCCC1 329549599 ABMOBTVQEZNMKB-NSHDSACASA-N 302.400 0.282 0 50 DCAA CN(C[C@@H]1COCCO1)S(=O)(=O)NCc1ccccc1 71747482 SRTVRSIFUFCMHS-CYBMUJFWSA-N 300.380 0.368 0 50 DCAA Cn1nccc1CCC(=O)N1CCC[C@@H](c2cc(=O)nc[nH]2)C1 216292226 LOJGTRLAJIKYRW-GFCCVEGCSA-N 315.377 0.842 0 50 DCAA CCN(C)C(=O)c1cccc(C(=O)N2CCOC[C@H]2C(=O)O)c1 262460529 IGXARTVZLJCDEQ-ZDUSSCGKSA-N 320.345 0.704 0 50 DCAA C[C@@H]1CCCN(C(=O)c2cnc3sccn3c2=O)[C@H]1CN 237451835 UQYINQKIFHCZEH-KOLCDFICSA-N 306.391 0.955 0 50 DCAA COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N(C)C 72158892 JCQUIVWGZURWBT-ZDUSSCGKSA-N 305.378 0.474 0 50 DCAA O=C(NCCCn1cncn1)c1cc(=O)n(-c2ccccc2)[nH]1 223067994 CXCHQQMSBFALIJ-UHFFFAOYSA-N 312.333 0.577 0 50 DCAA NCCCOc1ccc(F)cc1C(=O)NCc1nc(N)n[nH]1 426544720 IDUQZYSAXRTBBN-UHFFFAOYSA-N 308.317 0.184 0 50 DCAA CCc1noc(CN(CC)C(=O)N[C@H]2CCC(=O)N(C)C2)n1 426438945 VKHCUSVASBIXPK-JTQLQIEISA-N 309.370 0.784 0 50 DCAA CC[C@@H](O)Cn1nc(CC(N)=O)nc1Cc1sc(C)nc1C 96180149 JNMOTQASDNJLID-SNVBAGLBSA-N 323.422 0.741 0 50 DCAA CN1CCC(N2CCC[C@@H](C(=O)NCCc3cnn[nH]3)C2)CC1 426411575 VSZCJTVOAMQNSQ-CYBMUJFWSA-N 320.441 0.270 0 50 DCAA Cc1c(NC(=O)CN2CCN(c3ncccn3)CC2)cnn1C 244852777 UYQCEHAWZGBPEY-UHFFFAOYSA-N 315.381 0.279 0 50 DCAA CN(C)c1nsc(N2C[C@@H](c3c[nH]nn3)[C@@H](CC(=O)O)C2)n1 299793680 HNOJHLBXDNYOBN-JGVFFNPUSA-N 323.382 0.417 0 50 DCAA CCN(Cc1nc(COC)no1)C(=O)CN1CCCCCC1=O 299802806 QFNJTAKRIOXEPV-UHFFFAOYSA-N 324.381 0.967 0 50 DCAA O=C(c1cncc(NCC2(CO)CCOCC2)n1)N1CCCC1 584884928 LVJZLHDDZZYVTH-UHFFFAOYSA-N 320.393 0.914 0 50 DCAA CCn1nc(CO)c2c1CCN(c1ncc(F)c(OC)n1)C2 670462228 JWIUQNNYMAEFDP-UHFFFAOYSA-N 307.329 0.896 0 50 DCAA COc1ccccc1N1CC[C@H](NC(=O)Cc2ccn[nH]2)C1=O 163796080 OTDNZRVSKJYILV-LBPRGKRZSA-N 314.345 0.883 0 50 DCAA NC(=O)[C@]12CCOC[C@H]1CN(C(=O)Cn1cc(C3CC3)cn1)C2 952850245 KBRCETRFXDBWAF-CJNGLKHVSA-N 318.377 0.111 0 50 DCAA C=CC(=O)N1CCC[C@](C)(NC(=O)[C@H]2CCCc3ncnn32)C1 1875384026 JMMHMUUPKPEGFT-WBMJQRKESA-N 317.393 0.839 0 50 DCAA C=CC(=O)N(CC)CC(=O)N1CCN([C@H]2CCCOC2)CC1 1875380675 VYTAFLNEMFAZPG-AWEZNQCLSA-N 309.410 0.344 0 50 DCAA Cc1cc(CNC(=O)[C@@H]2CCCN(CC(N)=O)C2)cc(C)n1 952964751 QFYPUTWKZLCARA-CQSZACIVSA-N 304.394 0.512 0 50 DCAA Cc1cc(=O)c(C(=O)N(C)C[C@@H]2CCCN(CCO)C2)cn1C 952979333 UOLZIPFWHOWOCS-AWEZNQCLSA-N 321.421 0.470 0 50 DCAA CCn1nccc1[C@@H]1OCCC[C@H]1CNC(=O)C1(CO)COC1 888077091 IKFCGOKBRCIABS-GXTWGEPZSA-N 323.393 0.496 0 50 DCAA COCCc1nsc(N2CCN(c3ccnnc3)CC2)n1 895965098 WSYSJJFCRCZVRE-UHFFFAOYSA-N 306.395 0.844 0 50 DCAA CN1CCC2(CC1)CCN(C(=O)[C@H]1NCc3ncncc31)CC2 1775962632 XAIZBHTUGXTZJK-HNNXBMFYSA-N 315.421 0.955 0 50 DCAA CN(CC(N)=O)C[C@H]1CN(c2ncnc3ccccc23)CCO1 275518102 CYUCXUPJWFPNPB-LBPRGKRZSA-N 315.377 0.252 0 50 DCAA CNC(=O)[C@H](O)CNS(=O)(=O)C1=Cc2ccccc2CC1 225436514 VKSHDLWQECGAAP-CYBMUJFWSA-N 310.375 0.000 0 50 DCAA CCc1cnc(O)c(C(=O)N[C@@H](CCSC)C(=O)NC)c1 597653929 NGLOKLYCZZTJAE-NSHDSACASA-N 311.407 0.947 0 50 DCAA Nc1cc(CN2CC[C@@H](S(=O)(=O)N3CCCC3)C2)ccn1 193407803 ZLDNMMDHQKLBOO-CYBMUJFWSA-N 310.423 0.664 0 50 DCAA Cc1ncc(C(=O)N[C@@H](Cc2ccncc2)C(=O)O)c(C)n1 655596150 BIARXAQLCREKHE-ZDUSSCGKSA-N 300.318 0.914 0 50 DCAA COCCN1CC[C@@H](NC[C@@H]2CCO[C@H]2c2nccn2C)C1 657730549 CQZUDFBSSCMYIP-RRFJBIMHSA-N 308.426 0.808 0 50 DCAA O=C(CN1CCN(c2cncc(F)c2)CC1)Nc1cnccn1 660141055 DXFIQHMOXZVWCK-UHFFFAOYSA-N 316.340 0.771 0 50 DCAA O=S(=O)(Cc1c(F)cccc1F)NC[C@@H]1CNCCCO1 573430717 AABYBUWUIIGXCE-JTQLQIEISA-N 320.361 0.763 0 50 DCAA O=C(O)CN1CC[C@H](n2nnnc2/C=C/c2ccccc2)C1=O 663219380 INICQBJORGWDLZ-SYTKJHMZSA-N 313.317 0.702 0 50 DCAA O=C(NC1(c2nn[nH]n2)CCCC1)[C@H]1CCc2nc[nH]c2C1 668871986 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0.390 0 50 DCAA CS(=O)(=O)CCC(=O)NCc1cnn(Cc2ccccc2)c1 77210642 HMYDUCZFWIBJMY-UHFFFAOYSA-N 321.402 0.982 0 50 DCAA Cn1c(CN2CCOCC2)nnc1C1CCN(CCCO)CC1 77318851 MYVMBEFEHMXVSP-UHFFFAOYSA-N 323.441 0.209 0 50 DCAA CN1C(=O)C[C@H](C(=O)O)C12CCN(Cc1cccnc1)CC2 95376880 HEYJKCBSSFMMAJ-CYBMUJFWSA-N 303.362 0.979 0 50 DCAA CN1C(=O)[C@H](CC(=O)NCCSc2ccccn2)N(C)C1=O 97505478 DMBMEPIZBKWPPV-JTQLQIEISA-N 322.390 0.572 0 50 DCAA COC(=O)C1=NN[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 100660506 XAEHOUHENKOUJJ-RKDXNWHRSA-N 307.693 0.330 0 50 DCAA COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)NCc1cnn(C)c1C 170613382 WBCUTVZJNKIQFZ-RYUDHWBXSA-N 315.395 0.490 0 50 DCAA CCN1CCC[C@@H]1CNC(=O)N1CCC(C(=O)N(C)C)CC1 175375799 USNIFFOQZICVOA-CQSZACIVSA-N 310.442 0.981 0 50 DCAA C[C@@H]1CN(CCN2CCC(c3ccnn3CCO)CC2)CCO1 191469426 PAUJCQBDWODPFE-OAHLLOKOSA-N 322.453 0.776 0 50 DCAA Cn1cc(CCC(=O)NC[C@H](O)CN2CCCCCC2)cn1 215850697 VEARGGKBAHGAHE-HNNXBMFYSA-N 308.426 0.706 0 50 DCAA Cc1cn(CC(=O)N[C@H]2COC3(CCCCC3)C2)c(=O)[nH]c1=O 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0.856 0 50 DCAA CCn1cc(CN[C@@H]2CCCN(c3nccn(C)c3=O)C2)cn1 275634965 SPIXULMMINWFRF-CQSZACIVSA-N 316.409 0.755 0 50 DCAA CO[C@H]1C[C@@H](C(N)=O)N(S(=O)(=O)c2cc(C)ccc2F)C1 285058179 OMCWQCHIGOFVHM-ONGXEEELSA-N 316.354 0.397 0 50 DCAA CO[C@@H]1COC[C@H]1n1cc(C(=O)NCc2cccn2C)nn1 289513377 ARUINBOPJRBVCD-CHWSQXEVSA-N 305.338 0.133 0 50 DCAA Cn1cc(C2CCN(CCCN3C(=O)CNC3=O)CC2)cn1 299592645 KPFNBZIQSHVSCB-UHFFFAOYSA-N 305.382 0.541 0 50 DCAA NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Cc1cnn(-c2ccccc2)c1 299741336 DULPDJULXUHNOE-OCCSQVGLSA-N 316.336 0.839 0 50 DCAA CN1CC(=O)N(CC(=O)N2[C@H](C(=O)O)C[C@H]3CCCC[C@@H]32)C1=O 299744451 SGRUPPIAZCSGOB-VWYCJHECSA-N 323.349 0.125 0 50 DCAA O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1C[C@H](O)CN1 299753208 XGVXQWDQKDSOCF-CQDKDKBSSA-N 307.369 0.491 0 50 DCAA O=C(O)[C@@H]1CN(C(=O)COc2ccc3c(c2)CCC3)CCO1 315020249 VNLZGEVIVFUQLV-AWEZNQCLSA-N 305.330 0.866 0 50 DCAA CN1CCN(C(=O)[C@@H](O)c2ccccc2)C[C@@H]1c1ncc[nH]1 328639236 WTSCRVMRJMIRHX-KGLIPLIRSA-N 300.362 0.958 0 50 DCAA Cc1ccc(N2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2=O)o1 367948697 WCPHLIUKQJMELD-NSHDSACASA-N 305.334 0.384 0 50 DCAA CCS(=O)(=O)NCC(=O)N1CCCC[C@H]1c1ccnn1C 374163077 SBQQDXIYQBZBJE-LBPRGKRZSA-N 314.411 0.413 0 50 DCAA Cc1ccc([C@]2(C)NC(=O)N(Cc3nnnn3C)C2=O)cc1C 375189321 UNAOQCXHQXNXTL-HNNXBMFYSA-N 314.349 0.794 0 50 DCAA CN(C)CCn1ccc(NC(=O)[C@@H]2C[C@H]2C2CCNCC2)n1 377816036 BMRQZOFRFWJSSE-UONOGXRCSA-N 305.426 1.019 0 50 DCAA COCCNCC(=O)N1C[C@@H](C)C(=O)N(C)c2ccccc21 378213001 RVODBIFBMNRIMV-GFCCVEGCSA-N 305.378 0.868 0 50 DCAA CCCNS(=O)(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 408361996 KXSIEJUVLHSBDB-KBPBESRZSA-N 318.487 0.189 0 50 DCAA COc1ccnc(N2CC[C@H](Nc3ccc4nccn4n3)C2)n1 434184299 SFDLXYXUAAKKLZ-NSHDSACASA-N 311.349 1.219 0 50 DCAA Cc1cc(C)n(CC(=O)N[C@H](c2nccn2C)C2CC2)c(=O)n1 534639439 UHGQGMCKBVREJL-AWEZNQCLSA-N 315.377 0.861 0 50 DCAA CO[C@@H]1CN(C(=O)NCc2cn([C@H]3CCNC3)nn2)CC[C@H]1C 627232567 FHEVCGQPDHNOIO-KWCYVHTRSA-N 322.413 0.379 0 50 DCAA CCn1cc(O[C@@H]2CN(Cc3nc(C)ccc3O)C[C@H]2O)cn1 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CO[C@@H]1C[C@@H](c2ncc[nH]2)N(S(=O)(=O)c2cnn(C)c2)C1 643720033 SEIOKXLHJGWVCE-KOLCDFICSA-N 311.367 0.294 0 50 DCAA COCCOc1cccc(C(=O)N2C[C@H](O)C[C@H]2COC)c1 652780026 CIQLTLOQNCHHHM-UONOGXRCSA-N 309.362 0.934 0 50 DCAA Cc1ccc2nc(CNC(=O)NC[C@@H]3CNCCO3)[nH]c2c1C 670473498 QBQKYGYQHPAVIX-LBPRGKRZSA-N 317.393 0.967 0 50 DCAA Cc1cscc1C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 674076350 MPYZQGCQIHDNMM-UHFFFAOYSA-N 317.436 0.621 0 50 DCAA CO[C@@H]1CNC[C@@H]1NC(=O)c1cnn(Cc2ccccc2)c1 713856383 RPPCHEJYIANBDN-LSDHHAIUSA-N 300.362 0.648 0 50 DCAA CN(CC1(O)CCOCC1)C(=O)NCC1SCCS1 823392813 OVYJLOUJOLPJCE-UHFFFAOYSA-N 306.453 0.975 0 50 DCAA CN1CCCN(CC(=O)NCCCc2csc(N)n2)CC1 823778322 AOPYZYFNVDUMLN-UHFFFAOYSA-N 311.455 0.412 0 50 DCAA Cc1nc2n(n1)C[C@H](C(=O)N1CCOc3ncccc3C1)CC2 935385151 XJERLEZANCZDKP-CYBMUJFWSA-N 313.361 0.965 0 50 DCAA CN(C)c1ccc(CN2C[C@@H](O)[C@H](Cc3cnccn3)C2)cn1 1704280529 USHWMNDWWHTPOZ-GDBMZVCRSA-N 313.405 0.973 0 50 DCAA CN(C(=O)c1cc(O)ccc1N)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 1704299822 TWNMQMQMAYOSHA-OUAUKWLOSA-N 303.362 0.961 0 50 DCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)CNC(=O)c1ccccc1)C2 1704313646 LGCGKOGYVIITLJ-ZFWWWQNUSA-N 317.389 0.205 0 50 DCAA Cc1nn(CCNC(=O)c2cnc(C(N)=O)cn2)c(C)c1C 1772706483 SFQVWKQYUZNRJG-UHFFFAOYSA-N 302.338 0.127 0 50 DCAA O=C([C@@H]1CCc2ncnn2C1)N1CCC(N2CCOCC2)CC1 1857706619 WZISXZXYXARWKO-CYBMUJFWSA-N 319.409 0.164 0 50 DCAA O=C1[C@H](NC(=O)C2(C(=O)O)CCOCC2)CCCN1C1CC1 1875272546 BIVGMNLDLRQAMQ-LLVKDONJSA-N 310.350 0.137 0 50 DCAA CN(C)C/C=C/C(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 1875376842 KFDZIIFIPZHCQU-GPAKFWEMSA-N 308.403 0.890 0 50 DCAA Cn1cc(N2CC[C@H](NC(=O)[C@@]3(C)CC[C@H](N)C3)C2=O)cn1 2325778445 ZWVFPBKBECZBMF-WBIUFABUSA-N 305.382 0.159 0 50 DCAA O=C(CN1C(=O)c2ccccc2S1(=O)=O)NC[C@H]1CCCO1 532558 QTHJGCUWPAAQCX-SNVBAGLBSA-N 324.358 0.126 0 50 DCAA O=C(O)CNc1ncc(CN2CCC[C@@]23CCCNC3=O)cn1 2356163468 FFFDCHLWTZZVJA-OAHLLOKOSA-N 319.365 0.218 0 50 DCAA CCN1C[C@H](CN(C)Cc2cn(C3CCNCC3)nn2)CC1=O 23428823 NITBILIOHOIXQC-ZDUSSCGKSA-N 320.441 0.503 0 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72156805 AKOIPZLLOSWKBJ-CYBMUJFWSA-N 317.389 0.763 0 50 DCAA O=C(O)[C@H]1CN(C(=O)c2ccc(Cn3ccnc3)o2)CCO1 72424877 LQGZHYBFNVYSHO-GFCCVEGCSA-N 305.290 0.450 0 50 DCAA O=C(c1ccc2[nH]nc(O)c2c1)N1CCN2C(=O)CC[C@H]2C1 613158867 IBTKOLPEFGRFPA-JTQLQIEISA-N 300.318 0.715 0 50 DCAA Cc1nc(N2CCC[C@@]3(CNC(=O)O3)C2)c2cnn(C)c2n1 95363831 YTCJSCFPLXSEDV-CQSZACIVSA-N 302.338 0.751 0 50 DCAA CC(=O)N1CCC2(CCN(Cc3nc(C)no3)C[C@@H]2CO)CC1 97654026 DHOYIPVZIKZFJC-CQSZACIVSA-N 322.409 0.821 0 50 DCAA Cn1nnnc1SCCNc1cc([C@H]2C[C@@H](O)C2)ncn1 244899941 ZTHXAINTWHQFNX-DTORHVGOSA-N 307.383 0.443 0 50 DCAA CCn1ccc(CN2CCN(c3ccnc4nncn34)CC2)n1 252502668 USUQGGOBQANZCF-UHFFFAOYSA-N 312.381 0.663 0 50 DCAA COc1ccc(CNC(=O)[C@@H]2CCN(C)C(=O)C2)cc1C(=O)O 299753462 YHFUQAPOPAHWON-LLVKDONJSA-N 320.345 0.878 0 50 DCAA CC[C@@H](C(=O)NCCn1ccnn1)N1Cc2ccccc2C1=O 534585536 RMDIQQZQZRUWNZ-AWEZNQCLSA-N 313.361 0.829 0 50 DCAA Cn1cncc1C(=O)NCC1CCN(c2ccnc(N)n2)CC1 827591841 AQZWWWGEGQIZSB-UHFFFAOYSA-N 315.381 0.439 0 50 DCAA CC(C)(O)Cn1nc(CC(N)=O)nc1Cc1ccc(CO)cc1 828823340 JWQVWENEKSNILG-UHFFFAOYSA-N 318.377 0.160 0 50 DCAA CC(C)[C@@H]1N(C)C[C@@]12C[C@@H](O)[C@H](NC(=O)c1cnn(C)c1N)C2 685942758 VEHAIEBQHGKGBC-NFFDBFGFSA-N 321.425 0.212 0 50 DCAA C[C@H](NC(=O)[C@H]1CN(C)CCO1)c1cn(-c2cccnc2)nn1 1875361131 QMJLEZZNAPHUDI-SMDDNHRTSA-N 316.365 0.170 0 50 DCAA Cc1nccc(N2CCN([C@@]3(C(N)=O)CCOC3)CC2)c1Cl 886095434 WFHPFRSZICLRNF-HNNXBMFYSA-N 324.812 0.810 0 50 DCAA Cn1ccnc1CN1CC[C@H](NC(=O)c2ccncc2)[C@@H](O)C1 1090013782 PEYZAVRQIROEFP-KBPBESRZSA-N 315.377 0.180 0 50 DCAA O=C(CN1CCN(c2cccs2)C(=O)C1)N1CCOCC1 186086391 RCPUENAVIMPEBB-UHFFFAOYSA-N 309.391 0.256 0 50 DCAA Cc1cccc(CN2CCO[C@@H](CN(C)CC(N)=O)C2)c1C 275769677 RECGRJYBDFIDAA-INIZCTEOSA-N 305.422 0.921 0 50 DCAA Nc1ncn(CC(=O)N2CCC[C@H](Nc3ccccc3)C2)n1 631944401 WRPCWKCHFBXVQP-ZDUSSCGKSA-N 300.366 0.963 0 50 DCAA Cc1ccnc2nc(C(=O)N(C[C@H]3CCCN3)C3CC3)nn12 186505114 PEGPVLJGBAODTJ-LLVKDONJSA-N 300.366 0.789 0 50 DCAA C[C@H](O)CN1CCN(C(=O)c2ncn(C(C)(C)C)n2)[C@@H](C)C1 408359271 LJLDOKBCKDRDIK-RYUDHWBXSA-N 309.414 0.560 0 50 DCAA CNC(=O)c1ccc(/C=C/C(=O)N2CCO[C@H](C(=O)O)C2)cc1 408513430 CZNWTWKDVWAKOZ-LVDDQXARSA-N 318.329 0.371 0 50 DCAA C[C@H](N)[C@H]1CN(S(=O)(=O)c2cccc3cnccc23)CCO1 225495169 MPYSKNFSJOOQSX-SMDDNHRTSA-N 321.402 0.972 0 50 DCAA C[C@@H](NC(=O)[C@H]1CNCCO1)c1cn(-c2ccccc2)nn1 188016651 ZSLJNEPREHWLPP-BXUZGUMPSA-N 301.350 0.433 0 50 DCAA Cc1cc(CNC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)on1 188110707 ABBBSVBSOGFYSQ-LBPRGKRZSA-N 310.398 0.970 0 50 DCAA Cn1cnnc1N1CCN(C(=O)c2ccccc2CCN)CC1 655497179 NBRNOYQLMASCET-UHFFFAOYSA-N 314.393 0.279 0 50 DCAA O=C(CN1CCn2cncc2C1)NC[C@H]1Cc2ccccc2O1 660578493 PSHPDGQJLPGFGX-OAHLLOKOSA-N 312.373 0.819 0 50 DCAA O=C(NCc1noc(C2CC2)n1)N1CC[C@H](N2CCOCC2)C1 677855767 NNEYWZANIWRUGC-LBPRGKRZSA-N 321.381 0.563 0 50 DCAA COC[C@@]12CCCN1C(=O)N([C@@H]1CCN(C(C)C)C1=O)C2=O 1615587649 OWZWZQRCFLKHAA-IAQYHMDHSA-N 309.366 0.439 0 50 DCAA Cc1nn2ncccc2c1C(=O)N1C[C@H]2CCCN2C(=O)[C@H]1C 1772706647 OKTIIVFZNDOBMM-VXGBXAGGSA-N 313.361 0.873 0 50 DCAA Cn1c(SCC(=O)N2CCOCC2)nnc1-c1cccnc1 13633621 FROWVXPPWMOTFA-UHFFFAOYSA-N 319.390 0.828 0 50 DCAA O=C1[C@H]2CN(Cc3cccc(F)c3)CCN2C(=O)[C@@H]2CCCN12 14749456 MZINYJGBZORLQB-LSDHHAIUSA-N 317.364 0.843 0 50 DCAA O=C(N[C@H]1C[C@H]2CO[C@@H](C3CC3)CN2C1)c1cccc(O)n1 1857694899 LLORTQAVYQVMNX-SGMGOOAPSA-N 303.362 0.769 0 50 DCAA CC[C@@]12COC(=O)N1CCN(C(=O)c1nnc3n1CCCC3)C2 1857734880 WVONBVSEMBAXAT-OAHLLOKOSA-N 319.365 0.671 0 50 DCAA CNC(=O)[C@@]1(COC)CCCN1Cc1ncnn1C(C)(C)C 643830116 YNQSYIAYSKENPU-HNNXBMFYSA-N 309.414 0.760 0 50 DCAA Cn1c(C(=O)N2CCC[C@H](CN3CCOCC3)C2)cccc1=O 120682644 SOMMWEBFNQESIV-CQSZACIVSA-N 319.405 0.570 0 50 DCAA NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 4899833 YQHPZEVGWUTGLC-LBPRGKRZSA-N 305.334 0.389 0 50 DCAA in-vitro O=C(CN1CCCC[C@@H](O)C1=O)N1CCC(OCC2CC2)CC1 644374670 HAULXWOVGKOSOJ-OAHLLOKOSA-N 324.421 0.777 0 50 DCAA C[C@H]1CCN(c2cc(N3CC[C@@H](C)[C@H](O)C3)ncn2)C[C@H]1O 253370520 RXJJRYAHUHAZLE-XJFOESAGSA-N 306.410 0.891 0 50 DCAA CNC(=O)[C@H]1CC[C@@H](C(=O)O)N(C(=O)Cc2ccc(F)cc2)C1 823832176 PPBINBMCFZPXDB-AAEUAGOBSA-N 322.336 0.806 0 50 DCAA CCOC(=O)C1CCN(S(=O)(=O)c2cnn(C)c2)CC1 2803969 UNDBHXOUZZLOBH-UHFFFAOYSA-N 301.368 0.384 0 50 DCAA Cc1nn(C)c(CN2CCO[C@H]3CNC[C@H]32)c1Br 299741401 FRBBGIIRLIRWKM-KOLCDFICSA-N 315.215 0.664 0 50 DCAA CCc1ccc(S(=O)(=O)N2CC([C@@H](OC)C(=O)O)C2)o1 2325792394 YHNHPUNGLYWCMX-LLVKDONJSA-N 303.336 0.562 0 50 DCAA O[C@H]1CCCN(c2ccnc(Nc3cccn4nnnc34)n2)C1 2356148322 RBEUFMAZZKQWHE-JTQLQIEISA-N 312.337 0.619 0 50 DCAA CS(=O)(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 4942535 WWUURKNDKYGJMH-UHFFFAOYSA-N 305.377 0.111 0 50 DCAA CCS(=O)(=O)N1CCC(C(=O)NCc2ccncc2)CC1 7468804 PZDIQIWECNGQDT-UHFFFAOYSA-N 311.407 0.760 0 50 DCAA Cc1nccn1CC[C@H]1CCCCN1C(=O)Cn1[nH]nnc1=N 1506419694 VJRUFYWDQJXKCG-GFCCVEGCSA-N 318.385 0.062 0 50 DCAA Cc1cc(C)n(CCN[C@H](C)C(=O)Nc2nccs2)c(=O)n1 65432901 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Cn1ncnc1[C@H]1COCCN1C(=O)c1n[nH]c2c1CCCC2 375312804 ICQPQSHBLRDHBX-GFCCVEGCSA-N 316.365 0.631 0 50 DCAA Cc1nc(CCC(=O)N2CCC(N3CCCC3=O)CC2)n[nH]1 71738685 SMELTIFBHCWQEK-UHFFFAOYSA-N 305.382 0.659 0 50 DCAA Cc1cnn(C[C@@H]2CCCN2C[C@@H](O)CN2CCOCC2)c1 229515705 WIKZCLBNBZWWCH-HOTGVXAUSA-N 308.426 0.349 0 50 DCAA CN(C)c1ccc(CC(=O)N2C[C@H](N(C)C)C[C@H]2C(=O)O)cc1 222886980 LGEGABUJFYPRFG-CABCVRRESA-N 319.405 0.911 0 50 DCAA Cc1nscc1C(=O)NC[C@H]1CCCN1S(C)(=O)=O 179703717 KJNGTIKSOXGDKS-SECBINFHSA-N 303.409 0.605 0 50 DCAA Cc1nonc1CC(=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 222474517 PTCHILYVVQZWML-RWSFTLGLSA-N 302.334 0.944 0 50 DCAA Cc1n[nH]c(SCCNC(=O)COC[C@@H]2CCCO2)n1 223587014 HPVMJBYYYOKDFD-JTQLQIEISA-N 300.384 0.517 0 50 DCAA NCCOc1cccc(C(=O)N2C[C@H](O)[C@@H](N3CCCC3)C2)c1 426584960 YKTUDEUYOPUASU-HOTGVXAUSA-N 319.405 0.305 0 50 DCAA CC1(C)NC(=O)N(CC(=O)N2CCC(c3ncon3)CC2)C1=O 426597283 UIFONHPAIYNYHD-UHFFFAOYSA-N 321.337 0.106 0 50 DCAA COCCN(C)C[C@H]1C[C@@H](CO)CN(C(=O)c2cc(C)[nH]n2)C1 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COc1cccc2c1CC[C@]2(N)C(=O)N(C)Cc1cn(C)nn1 1615552624 FVCCRMJOYPLZJT-MRXNPFEDSA-N 315.377 0.583 0 50 DCAA CC[C@@H](C)[C@@H](C(=O)NCCNc1ncccn1)n1cnnn1 1615151956 LEBVXRAAQURAQM-MNOVXSKESA-N 304.358 0.279 0 50 DCAA CCOc1nc(N2CC(O)(c3cnnn3C)C2)ncc1Cl 1647629855 AUJBDTYCPWLLPJ-UHFFFAOYSA-N 310.745 0.365 0 50 DCAA Cn1c(N2C[C@H]3CNC[C@]3(CO)C2)nc2cc(C(=O)O)ccc21 1772805870 QZONABADBDLVJU-BDJLRTHQSA-N 316.361 0.290 0 50 DCAA COC(=O)CCC(=O)N[C@H]1CC(=O)N(CCc2ccccc2)C1 15062649 OKHZCOKHASGIGA-AWEZNQCLSA-N 318.373 0.899 0 50 DCAA CN(CCn1ccnc1-c1cnn2cccnc12)S(C)(=O)=O 1857688301 BGNAYZZCXKGZLH-UHFFFAOYSA-N 320.378 0.484 0 50 DCAA O=C(NCc1nnnn1-c1ccccc1)[C@@H]1CCn2nccc2C1 1857723720 SEOBMLWNGRZMEO-GFCCVEGCSA-N 323.360 0.738 0 50 DCAA COc1cc(CN2CCNC(=O)[C@@H]2CC(=O)O)cc(OC)c1 1236591 RXOCYZSKLDMEMZ-ZDUSSCGKSA-N 308.334 0.479 0 50 DCAA in-vitro CCN1C[C@@H](C(=O)NC[C@H](n2cncn2)C(F)(F)F)CC1=O 633982010 MWKVBROXYUSAJO-IUCAKERBSA-N 319.287 0.366 0 50 DCAA CNS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 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0.855 0 50 DCAA CCn1ncc(S(=O)(=O)N2CC[C@]3(CCCNC3)C2)c1C 67871675 FNRAFGQJBXDFTE-AWEZNQCLSA-N 312.439 0.976 0 50 DCAA CC(C)(C)c1ncsc1C(=O)NCCN1C(=O)CNC1=O 176833328 GLZNMZXAXMTYQI-UHFFFAOYSA-N 310.379 0.722 0 50 DCAA CO[C@H](C)C(=O)N1CCC[C@@H](N(CC(=O)O)C(C)=O)CC1 328625710 DLCURJUYGWBRGN-ZYHUDNBSSA-N 300.355 0.336 0 50 DCAA C[C@@H](NC(N)=O)C(=O)N1CC[C@H](n2ncc3ccccc32)C1 356745476 OBPIFJGDPKGIPG-PWSUYJOCSA-N 301.350 0.867 0 50 DCAA CC(C)c1nccn1CCC(=O)N1CCn2c(O)nnc2C1 329620259 RCRCJPQHSDWUHY-UHFFFAOYSA-N 304.354 0.736 0 50 DCAA CN1CCN(C(=O)CCN2CCC[C@H]2c2nncn2C)CC1 364714226 QUECWZSRZBHTAI-ZDUSSCGKSA-N 306.414 0.116 0 50 DCAA COc1ccc2[nH]c(CNC(=O)Cn3nnnc3N)cc2c1 216001798 MIWXHGXBSPKNHM-UHFFFAOYSA-N 301.310 0.062 0 50 DCAA O[C@@H](Cn1ccnc1-c1cc2n(n1)CCNC2)c1ccccn1 72433646 ACQCBXNAOPBSLN-HNNXBMFYSA-N 310.361 0.978 0 50 DCAA COc1ccc(CC(=O)N2CCO[C@H](c3nn[nH]n3)C2)cc1F 370862551 QOFHOAFHXPICQR-LBPRGKRZSA-N 321.312 0.490 0 50 DCAA CCC1(CC)NC(=O)N(CC(=O)N2CCC[C@@H]2C(=O)O)C1=O 262066559 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C[C@@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)CNC(N)=O 82120473 XFXBFQGYDPIWIB-SECBINFHSA-N 324.768 0.572 0 50 DCAA CC(C)c1noc(CCNC(=O)[C@@H]2CCCN(C(N)=O)C2)n1 91626413 ZUFINNLMTOPGQD-SNVBAGLBSA-N 309.370 0.642 0 50 DCAA CS(=O)(=O)CCN1C[C@@H](C(=O)O)[C@H](c2ccc(F)cc2)C1 91320831 GLSLAGCAIYHFRA-QWHCGFSZSA-N 315.366 0.970 0 50 DCAA CCOCC(=O)N1CCn2nc(CCC(=O)NC3CC3)cc2C1 91270004 ODEGLVNUHAKSJH-UHFFFAOYSA-N 320.393 0.473 0 50 DCAA Cc1ocnc1C(=O)NCC[C@@H]1CCCCN1S(C)(=O)=O 97679974 KKUHCGCJCCQWHL-NSHDSACASA-N 315.395 0.917 0 50 DCAA N[C@H]1C[C@@H](c2cc(NCCN3CCNC3=O)nc(C3CC3)n2)C1 244695614 JPIXUBSETRVMPY-TXEJJXNPSA-N 316.409 0.996 0 50 DCAA O=C(CCCN1C(=O)CNC1=O)NCc1ccc(C(=O)O)cc1 299747816 FDZBDFNVIWECNF-UHFFFAOYSA-N 319.317 0.333 0 50 DCAA CN(C)CCN1C(=O)CC[C@@H]1CCNC(=O)Cc1cccnc1 299802934 SMZHQLAPDPDACB-OAHLLOKOSA-N 318.421 0.683 0 50 DCAA Cc1ccc(S(N)(=O)=O)cc1NC(=O)NC[C@H]1CCOC1 299801620 XOJCZUAZTKNKJR-SNVBAGLBSA-N 313.379 0.800 0 50 DCAA Cc1cc(C)nc(S[C@H](C)C(=O)NCCN2CCNC2=O)n1 299762649 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302.286 0.463 0 50 DCAA N=c1nc(N2C[C@H](CO)OC3(CCC3)C2)c2c([nH]1)CCCC2 1875301974 ZQXAMHJMLMSLDE-LLVKDONJSA-N 304.394 0.888 0 50 DCAA COCCn1ccnc1CNCc1nc(-c2ccncc2)n[nH]1 952868920 VOBGOEJDEJXKEB-UHFFFAOYSA-N 313.365 0.999 0 50 DCAA Cn1cc(C(=O)N2CC[C@@H](Cc3nccs3)C2)n(C)c1=O 890206867 UKEVRSWLWNFYJS-JTQLQIEISA-N 306.391 0.885 0 50 DCAA O=C1Cc2c(C(=O)N3C[C@H]4CC[C@H]3[C@@H](CO)C4)ccnc2N1 1773662715 UTFVCJVQEBXGEF-CWSCBRNRSA-N 301.346 0.809 0 50 DCAA C[C@H](N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)C(=O)N1CCCC1 134737834 BLCJRJOLZKHRGK-XQQFMLRXSA-N 302.440 0.943 0 50 DCAA CN(CC1=CCCOC1)C(=O)[C@H]1CC[C@@H](C(=O)O)N1C1CC1 630666040 OCBAFLVFZYQSJI-KGLIPLIRSA-N 308.378 0.872 0 50 DCAA Cc1ccc(C(=O)C(=O)NCCc2nnc(S)n2C)cc1 170622206 DEHNOTINNGOCRY-UHFFFAOYSA-N 304.375 0.954 0 50 DCAA CN(C)[C@@H]1CCN(C(=O)NC[C@H](n2cncn2)C(F)(F)F)C1 637642336 UZKWRZJWHDVXEA-ZJUUUORDSA-N 320.319 0.727 0 50 DCAA NC(=O)c1ccc(CNC(=O)[C@H](C(=O)O)C2CCCC2)cn1 663062117 JRJOXMSSEUUKOO-GFCCVEGCSA-N 305.334 0.688 0 50 DCAA 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Cn1cncc1C(=O)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 585127191 SJMFEYOGUOMJEZ-UHFFFAOYSA-N 322.365 0.046 0 50 DCAA OC[C@@H]1c2ccccc2CCN1C[C@@H](O)CC1(O)CCOCC1 630043081 UILPWESNFZQCJJ-DOTOQJQBSA-N 321.417 0.871 0 50 DCAA NC(=O)c1nc(-c2cc(F)c(N3CCOCC3)c(F)c2)no1 904090729 LDCIRWGEBJBDPN-UHFFFAOYSA-N 310.260 0.950 0 50 DCAA NS(=O)(=O)C1CN(C[C@@H](O)c2ccc(F)cc2Cl)C1 930733586 CQURYHSASJRELN-LLVKDONJSA-N 308.762 0.485 0 50 DCAA Cc1cc(O)nc([C@H](C)N2CCN(c3n[nH]c(C)n3)CC2)n1 931630838 XZEOZOGQGRMEIB-JTQLQIEISA-N 303.370 0.800 0 50 DCAA Cc1noc([C@@H]2CN(C3CN(Cc4ncc(C)[nH]4)C3)CCO2)n1 952849924 VLSVCJHQDDDVMS-ZDUSSCGKSA-N 318.381 0.667 0 50 DCAA Cc1nonc1CC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1 1529111409 XSSSWJSXGCJJFC-GDBMZVCRSA-N 317.345 0.882 0 50 DCAA CCc1cc(C)nc(N2CCC(O)(Cn3ccnn3)CC2)n1 1615566361 DCIDDRVSUFJZHC-UHFFFAOYSA-N 302.382 0.970 0 50 DCAA CN1C[C@@H]2COC[C@H](C1)N(C(=O)c1ccc(N(C)C)nc1)C2 1704315228 XKYPJKUCBNBVST-JSGCOSHPSA-N 304.394 0.550 0 50 DCAA CC[C@]12COC(=O)N1CCN(C(=O)c1cnn3ccn(C)c13)C2 1857680104 BLQHSUZWIYCGBD-HNNXBMFYSA-N 317.349 0.730 0 50 DCAA O=C(N[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12)c1cc(-c2ccccc2)[nH]n1 1875251578 WUNGKJCXCGAPTA-GBJTYRQASA-N 315.329 0.334 0 50 DCAA COC(=O)/C=C/CNC(=O)[C@@H]1CCCN1C(=O)c1ccco1 1875311949 PVYFCIHHSNWPQH-FOKSMMDQSA-N 306.318 0.730 0 50 DCAA CCCc1nc(C(=O)N2CCO[C@H](c3nnnn3C)C2)cs1 2100477195 NZMICERRDFHQPW-JTQLQIEISA-N 322.394 0.833 0 50 DCAA O=C([C@@H]1CNCCC12CCC2)N1CCC[C@@]2(CCNC2=O)C1 2325789178 AVFUBBHDJWIQDA-SUMWQHHRSA-N 305.422 0.895 0 50 DCAA CCC(=O)N(C)[C@@H](CNC(=O)[C@@H]1CCNC1=O)c1ccccc1 2325868570 BLZSIMHYYVOBSB-KGLIPLIRSA-N 317.389 0.848 0 50 DCAA C[C@H]1NC(=O)O[C@]12CCN(C(=O)c1n[nH]c3cc(N)ccc13)C2 2325875810 CIOUKPOEKMRKFF-GLEZIHRCSA-N 315.333 0.858 0 50 DCAA NCc1nc(C(=O)N2CCC[C@@]3(CCc4c[nH]nc43)C2)co1 2356162488 KZIPQGARNVNRLV-OAHLLOKOSA-N 301.350 0.977 0 50 DCAA Cc1ccc(OCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 355415 XTFKBKAXUQVWEH-UHFFFAOYSA-N 312.391 0.478 0 50 DCAA CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 818538 PYASVNRLFSRGKQ-SNVBAGLBSA-N 300.355 0.972 0 50 DCAA CCN[C@@H]1C[C@@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 1530620 IAVUPMFITXYVAF-HTRCEHHLSA-N 324.449 0.612 0 50 DCAA biogenic,in-vitro O=C1CCc2cc(S(=O)(=O)N3CCC[C@H]3C(=O)O)ccc2N1 2929127 GHHKQGBWJHGJPB-LBPRGKRZSA-N 324.358 0.809 0 50 DCAA CCOc1ccc(S(=O)(=O)N[C@H](C)C(N)=O)cc1Cl 16527273 IJUWMXLNELHINP-SSDOTTSWSA-N 306.771 0.891 0 50 DCAA CN1CCN(CCNS(=O)(=O)Cc2ccc(F)cc2)CC1 22933222 SLYBWVBHIMYHQE-UHFFFAOYSA-N 315.414 0.493 0 50 DCAA CS(=O)(=O)N1CC[C@@H](C(=O)NC2CC2)Oc2ccccc21 38850119 MJAVUEPHMQKLDU-ZDUSSCGKSA-N 310.375 0.882 0 50 DCAA CCc1cc(N2CC[C@H](NC(C)=O)C2)nc(N2CCOCC2)n1 65387556 VLXMHFNNAMFNJE-AWEZNQCLSA-N 319.409 0.590 0 50 DCAA NC(=O)NCCN1CC=C(CNC(=O)C2CCCCC2)CC1 65530889 ANYMMVOIZLYPRD-UHFFFAOYSA-N 308.426 0.983 0 50 DCAA O=C(N[C@@H]1CCNC1=O)c1cc(COc2ccccc2F)[nH]n1 67787688 IXTFDJFVYBRKCP-LLVKDONJSA-N 318.308 0.746 0 50 DCAA Nc1nc(C(=O)NC[C@@H]2CCN(Cc3ccccc3F)C2)n[nH]1 67851355 YKJRRMNBWMALOE-JTQLQIEISA-N 318.356 0.778 0 50 DCAA Cc1n[nH]cc1C(=O)N1CCc2nc(N(C)C)[nH]c(=O)c2CC1 67954848 LNTLJEATXHFHGJ-UHFFFAOYSA-N 316.365 0.108 0 50 DCAA CC[C@H]1CN(C(CO)CO)CCC(=O)N1Cc1ccccc1 71746616 WZXLIPXSUCLMLX-HNNXBMFYSA-N 306.406 0.853 0 50 DCAA Cc1cc(C)n2nc(C(=O)N3C[C@H]4[C@@H]5CC[C@@H](O5)[C@H]4C3)nc2n1 71753075 PTEXTLRAFYLPDI-FNFFVJSTSA-N 313.361 0.991 0 50 DCAA CCOC(=O)C(Cc1ccccn1)(NC(C)=O)C(=O)OCC 71770658 WOBDOPGGSAELPK-UHFFFAOYSA-N 308.334 0.625 0 50 DCAA CCc1nc(C)c(C(=O)N2CCc3c(nc(N)[nH]c3=O)C2)o1 72140054 GXGANSUVCUXMII-UHFFFAOYSA-N 303.322 0.409 0 50 DCAA O=C(CCc1cc2n(n1)CCNC2)N1CCCn2cncc2C1 72426847 IFOREDRBMDUQJI-UHFFFAOYSA-N 314.393 0.548 0 50 DCAA NCCN1C(=O)CC[C@H]2CN(C(=O)C3CCOCC3)CC[C@H]21 72475780 HBUHBFDZEQJXNM-UONOGXRCSA-N 309.410 0.211 0 50 DCAA CN(C)c1nc(N[C@@H]2CCNC[C@H]2O)cc(C(F)(F)F)n1 77519224 LXNFUJXPSMTLDJ-HTQZYQBOSA-N 305.304 0.696 0 50 DCAA O=C(NCCN1CCCC[C@@H]1CO)Nc1cccc2[nH]nnc12 96165856 ANYJOQUWGZENKK-LLVKDONJSA-N 318.381 0.926 0 50 DCAA CC(=O)N1CCN(C(=O)C2(c3ccccc3F)CC2)C[C@H](O)C1 97675562 YJQNKLRVQIPEGK-CYBMUJFWSA-N 320.364 0.909 0 50 DCAA CN(CCCc1nccn1C)c1nccc(N2CC[C@@H](O)C2)n1 106263426 GIXBLQUMIOKYON-CYBMUJFWSA-N 316.409 0.850 0 50 DCAA CN(Cc1nccn1C)c1nccc(N2CCC[C@@H](O)C2)n1 106272277 GGQPIBUIDBKLLR-GFCCVEGCSA-N 302.382 0.808 0 50 DCAA CC(C)[C@H]1CN(C)CCN1C(=O)CS(=O)(=O)C(C)(C)C 153555306 RSZWVEBTNWWBSL-GFCCVEGCSA-N 304.456 0.998 0 50 DCAA O=C(CCC(=O)N1CCOCC1)N[C@@H]1c2ccccc2C[C@@H]1O 175318195 PVAYPHUXDBYRJI-WMLDXEAASA-N 318.373 0.400 0 50 DCAA COCc1noc(CN2CCCC[C@H]2C(=O)N2CCOCC2)n1 182210044 NKNWMHJGCBXCDI-LBPRGKRZSA-N 324.381 0.429 0 50 DCAA Nc1nc(NCCCN2CCOCC2)cc(C2CC(N)C2)n1 222910390 DPODQYHWVRWQKA-UHFFFAOYSA-N 306.414 0.398 0 50 DCAA CC(C)(C)CCS(=O)(=O)N1CCC[C@H](S(N)(=O)=O)C1 224016082 KJQDYBAGMXVPPE-JTQLQIEISA-N 312.457 0.505 0 50 DCAA O=C(NCc1cccnc1OCC(F)(F)F)[C@@H]1C[C@H](O)CN1 238091608 SROCEUXGROCTFR-UWVGGRQHSA-N 319.283 0.362 0 50 DCAA Cc1cc(N2CCN(CC(=O)NC[C@H]3CCCO3)CC2)ccn1 252496805 PSCQBMVEKZJEGT-MRXNPFEDSA-N 318.421 0.807 0 50 DCAA CC(C)[C@H](NC(=O)c1cccc(CS(N)(=O)=O)c1)C(=O)O 262223774 UGPJYFNNCHIJLT-NSHDSACASA-N 314.363 0.314 0 50 DCAA C[C@@](O)(CNS(=O)(=O)CCc1cccc(Cl)c1)C(=O)O 263490765 ORFBFLJVWZVAOY-GFCCVEGCSA-N 321.782 0.638 0 50 DCAA C[C@H](Cn1cncn1)NC(=O)N[C@H]1c2ccccc2C[C@H]1O 263902364 JMVKUZCDYMMTJW-HONMWMINSA-N 301.350 0.624 0 50 DCAA CNC(=O)[C@H]1CCCN(C(=O)CN2Cc3ccccc3C2=O)C1 264677239 IHRUCDYERJOUHI-ZDUSSCGKSA-N 315.373 0.627 0 50 DCAA CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1ccc(OC)nn1 275477063 YPEZAFVGGAXKFL-GWCFXTLKSA-N 317.349 0.962 0 50 DCAA COC[C@@H]1C[C@H](OC)CN1C(=O)c1ccnc(N2CCCC2)n1 284550991 IQHPMVKDHNAWDV-STQMWFEESA-N 320.393 0.953 0 50 DCAA Cc1cnn(C)c1S(=O)(=O)N1CCOc2c1c(C)nn2C 286142933 WXUGRNYVSBGMNU-UHFFFAOYSA-N 311.367 0.358 0 50 DCAA COc1cccc(N2CCC[C@H](NC(=O)[C@@H]3C[C@H](O)CN3)C2)c1 299749218 JMMSHDJEQYRWLG-NOLJZWGESA-N 319.405 0.503 0 50 DCAA CC(=O)Nc1ncc(S(=O)(=O)N[C@H]2C[C@@](C)(O)C2)s1 331801860 SEDGMZMGXXSDMY-WKFQBHICSA-N 305.381 0.293 0 50 DCAA Cn1cc([C@@H](NC(=O)N2CCO[C@@H](CO)C2)C(F)(F)F)cn1 334104402 TXKIUEYLOSGEOU-NXEZZACHSA-N 322.287 0.426 0 50 DCAA COc1cc(C)nc(N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)n1 344224912 LEYFBUBCULMIGF-QMTHXVAHSA-N 316.365 0.911 0 50 DCAA CN(Cc1nnnn1CC1CCOCC1)[C@H]1CCCCNC1=O 369369711 LHNBRKTYSSUTFT-ZDUSSCGKSA-N 322.413 0.200 0 50 DCAA C=CC(=O)NCc1ccc(C(=O)N[C@@H]2CCCN(C)C2=O)cc1 490584133 WJFNPYOJCRRJIR-CQSZACIVSA-N 315.373 0.839 0 50 DCAA CN1CCO[C@@H](CNC(=O)c2ccccc2-n2cnnc2)C1 534590846 LPZZDBCETGDAAC-LBPRGKRZSA-N 301.350 0.328 0 50 DCAA O=C(Cc1ccc(Cl)c(F)c1)N[C@@H]1CS(=O)(=O)C[C@H]1O 573624461 RMCDHGRQNIUVAT-GHMZBOCLSA-N 321.757 0.296 0 50 DCAA CCCN(C)CC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CCNCC1 574202300 KDSYFNJXCOYMID-CJNGLKHVSA-N 310.442 0.091 0 50 DCAA CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)Cn2cccc(C)c2=O)C1 583619656 ZAWBRSHICMWMKO-NEPJUHHUSA-N 317.349 0.263 0 50 DCAA Cc1nn[nH]c1C(=O)N(C)C[C@H]1CC(=O)N(C2CCCC2)C1 584888187 NCSGHJZIXUWREX-LLVKDONJSA-N 305.382 0.976 0 50 DCAA Nc1ccc(C(=O)N[C@H]2CCCCN(CC(=O)O)C2=O)cc1 585138050 KVSJAUSGYTVJII-LBPRGKRZSA-N 305.334 0.464 0 50 DCAA CN(C)c1n[nH]c(CNC(=O)N2CCC[C@@H]2[C@@H]2CCC[C@H]2O)n1 637788599 DVFXSYGSISPCSJ-QJPTWQEYSA-N 322.413 0.706 0 50 DCAA C[C@]12CN([C@@H](C(N)=O)c3ccccc3)C[C@]1(C)C(=O)NC2=O 639952011 IDNVYBZEXNYIOF-HFBAOOFYSA-N 301.346 0.198 0 50 DCAA C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](n2cc(C(=O)O)nn2)C1 668292121 ADMZYKLXYBHCNV-QJPTWQEYSA-N 322.365 0.955 0 50 DCAA CC(C)(C)n1cc(CN2CC[C@@](O)(Cn3ccnn3)C2)nn1 671492748 IZZLOAKMNXOVAE-AWEZNQCLSA-N 305.386 0.262 0 50 DCAA CC(=O)N1C[C@H](NC(=O)c2nc[nH]n2)CC[C@@H]1C(F)(F)F 886051585 HWTUFHVVONKEPT-HTQZYQBOSA-N 305.260 0.476 0 50 DCAA O=C(O[C@@H]1CCOC1)N1CCC[C@](O)(C2(C(=O)O)CCC2)C1 1609016750 MMVQQABCFWXMEG-IAQYHMDHSA-N 313.350 0.994 0 50 DCAA Cc1cc(C[C@@H]2CN(C(=O)c3cnn(C)c3C)C[C@@H]2O)on1 1704351118 TZFFGRPFOFHOTB-RISCZKNCSA-N 304.350 0.701 0 50 DCAA CCCN(C(=O)c1cnc(C(N)=O)cn1)[C@@H]1CCCC[C@H]1O 1772702362 BFBUBNSLJAKVMF-CHWSQXEVSA-N 306.366 0.731 0 50 DCAA CN1CCc2[nH]nc(C(=O)N3CCC(C4(O)CC4)CC3)c2C1 1772811831 YHVKMRGWWMAXDH-UHFFFAOYSA-N 304.394 0.775 0 50 DCAA O=C1CO[C@@]2(CCN(c3ncnc4cccc(F)c34)C2)CN1 1772816756 ZZGCHGZNDAYFQX-HNNXBMFYSA-N 302.309 0.864 0 50 DCAA N[C@H]1CN(C(=O)c2ccc(Cn3ccnn3)o2)CC12CCC2 1775962411 JQMSSZRXEXAZAR-ZDUSSCGKSA-N 301.350 0.873 0 50 DCAA O=C([C@@H]1CCCc2c[nH]nc21)N1CC[C@H](N2CCNCC2)C1 1875255656 UUBLQRQPXLRKRU-UONOGXRCSA-N 303.410 0.336 0 50 DCAA Cn1cc(C(=O)N=c2nc3nccc(C4CC4)n3[nH]2)ccc1=O 2356167762 BBMNPIPXSQTXPO-UHFFFAOYSA-N 310.317 0.375 0 50 DCAA Cn1c(=O)c2c(nc(NCCc3ccccc3)n2C)n(C)c1=O 280496 PDMRCZKKXHBCCP-UHFFFAOYSA-N 313.361 0.625 0 50 DCAA biogenic COc1ccc(C(=O)N2CCC3(CC2)CNC(=O)CO3)cn1 2356169297 OTZDXUOVKTWNPY-UHFFFAOYSA-N 305.334 0.211 0 50 DCAA COCc1nnc(NC(=O)CN2[C@H]3CC[C@@H]2C[C@H](O)C3)s1 102514827 ICBHXSOYKAKCTR-MYJAWHEDSA-N 312.395 0.611 0 50 DCAA CCOC(=O)C1=NN[C@H]2C(=O)N(c3cccc(C)c3C)C(=O)[C@@H]12 100544185 NSDBTGQATAHIJG-VXGBXAGGSA-N 315.329 0.684 0 50 DCAA C[C@H](NC(=O)CN1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1)C1CC1 229312496 MISFJFNXPIYAGY-KANYHAFZSA-N 322.409 0.211 0 50 DCAA Cc1cnn(C)c1S(=O)(=O)N1CCC[C@@H](C)[C@H]1C(=O)O 424367348 LOJNOTQLIGLVCV-SCZZXKLOSA-N 301.368 0.602 0 50 DCAA CN1C(=O)C[C@@H](CNc2ncc(F)cn2)[C@@H]1c1cnn(C)c1 328612740 PPXNMJYJPADSIF-TVQRCGJNSA-N 304.329 0.981 0 50 DCAA Cc1ccc(NC(=O)CN(C)C(=O)Cn2nnnc2C)cc1 123255129 IARIRIFAFYBNJZ-UHFFFAOYSA-N 302.338 0.387 0 50 DCAA CC(C)C[C@H](NC(=O)[C@H](O)[C@H](N)Cc1ccccc1)C(=O)O 2545165 VGGGPCQERPFHOB-HZSPNIEDSA-N 308.378 0.533 0 50 DCAA biogenic,in-vitro COC[C@@H]1CN(CC(=O)Nc2cc(C)nn2C)CC(C)(C)O1 284493453 HQFCDEGSHYKPNZ-LBPRGKRZSA-N 310.398 0.793 0 50 DCAA Cc1[nH]c(=O)[nH]c(=O)c1-c1cccc(CN2CCOCC2)c1 32580964 PIJGZGDOETUVJT-UHFFFAOYSA-N 301.346 0.871 0 50 DCAA Cc1cc(C2CCC2)nc(N2CCN(S(N)(=O)=O)CC2)n1 71760996 ZCBJQXWNBFTOJB-UHFFFAOYSA-N 311.411 0.378 0 50 DCAA CCS(=O)(=O)NCc1ccc(C(=O)N2CC(C)(O)C2)cc1 332011962 SZYXTDQZSYDMTR-UHFFFAOYSA-N 312.391 0.333 0 50 DCAA NC(=O)Cn1cc(NC(=O)[C@H]2CCCN2c2ccccc2)cn1 369327397 RNEZPSQEAOGKTN-CQSZACIVSA-N 313.361 0.976 0 50 DCAA O=C(CN1CC[C@@](O)(C2CC2)C1)NCc1ccc2c(c1)OCO2 370082131 LQFKFJAUGYONEZ-KRWDZBQOSA-N 318.373 0.878 0 50 DCAA Cc1n[nH]c(C)c1S(=O)(=O)N1CCNC[C@@H]1c1cccnc1 261922294 ZQXZEKSKYYVPLF-CYBMUJFWSA-N 321.406 0.757 0 50 DCAA N[C@@H](Cc1ccccc1)C(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 238075266 MRTDGBDRDRTVMV-HRCADAONSA-N 304.390 0.963 0 50 DCAA NC(=O)c1cc(Cl)cc(S(=O)(=O)NCCCC(=O)O)c1 262184693 FZEVSKQLHMENCD-UHFFFAOYSA-N 320.754 0.582 0 50 DCAA C[C@H](C(=O)O)N(C)S(=O)(=O)C1CN(C(=O)C2CCCC2)C1 262477572 VEPOVOXWJHQLMY-SECBINFHSA-N 318.395 0.122 0 50 DCAA COc1nc2c(cc1C(=O)N1CCC[C@@](O)(CO)C1)CCC2 72150673 NBJKGZULQMKDOM-INIZCTEOSA-N 306.362 0.538 0 50 DCAA CN(Cc1cccc2ncccc12)C(=O)C[C@@H]1NC(=O)NC1=O 72475613 GPXMFCOUYFVMOP-ZDUSSCGKSA-N 312.329 0.791 0 50 DCAA CCNC(=O)c1ccc(N[C@H]2CCO[C@@H]2c2ccnn2C)nn1 343486705 ZJIAXZGDWQDONY-HZMBPMFUSA-N 316.365 0.902 0 50 DCAA 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COCCNC(=O)c1cccc(N2C[C@H](C(=O)O)CC2=O)c1C 199392146 YNWQXOZIRLXXIG-LLVKDONJSA-N 320.345 0.809 0 50 DCAA Cn1ncc(Cl)c1S(=O)(=O)N1CC[C@H](CC(=O)O)C1 227867101 NETZNWYYQLLPHU-SSDOTTSWSA-N 307.759 0.559 0 50 DCAA CC1=C(C(=O)N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)Cn2nnnc2N1C 241897332 TXSOUVVKQJCZOP-VHDGCEQUSA-N 322.372 0.851 0 50 DCAA OC[C@@H]1O[C@H](Nc2cccc3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O 245377326 JRKZPBBOEFJXRA-NPJQDHAYSA-N 305.330 0.052 0 50 DCAA CCO[C@@H](C)C(=O)NC[C@H](CNC(=O)[C@@H](C)OCC)OC 252512113 MRJCXINXHLDZDA-GDNZZTSVSA-N 304.387 0.084 0 50 DCAA COCCN(CC(=O)O)C(=O)c1ccc2c(c1)CCN2C(C)=O 262366875 FLBXIFOPRXFGKA-UHFFFAOYSA-N 320.345 0.769 0 50 DCAA CC(C)(C)C(=O)N1CCC[C@H](C(=O)NC[C@@](C)(O)C(=O)O)C1 262442652 UUWWTFIQZZBOAK-ZUZCIYMTSA-N 314.382 0.223 0 50 DCAA Cc1n[nH]c(C)c1CN1CCN(c2cncc3ncnn23)CC1 275495175 BRTAZNXCYPVMSP-UHFFFAOYSA-N 312.381 0.786 0 50 DCAA O=c1nc(CCNS(=O)(=O)c2ccc3c(c2)CCCC3)[nH]o1 279322863 GIIATKMKWLJYKT-UHFFFAOYSA-N 323.374 0.763 0 50 DCAA 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CC1CCN(CC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 181280851 PHBVJFALFNPLFP-ZDUSSCGKSA-N 317.455 0.211 0 50 DCAA COCc1cc(CNC(=O)C2CCN(C(=O)C3CC3)CC2)n[nH]1 91907463 NHSKJDKIXHQHPM-UHFFFAOYSA-N 320.393 0.821 0 50 DCAA COCCN(CC(=O)O)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 268883870 AMRMHRVWAMWUAN-NSHDSACASA-N 324.333 0.188 0 50 DCAA O=C1C[C@H](C(=O)O)C2(CCN(CCCn3ccnc3)CC2)N1 91736753 UCGPGTOUGVZBPA-GFCCVEGCSA-N 306.366 0.329 0 50 DCAA NC(=O)[C@H](O)C1CCN(C[C@H](O)c2ccc(Cl)cc2)CC1 299749651 LDKMUCSOOGQVEX-UONOGXRCSA-N 312.797 0.932 0 50 DCAA Cc1ccc2nc(CCNC(=O)N(C)C[C@H](O)CO)[nH]c2c1 534665568 VRMLKIDCNILSMN-NSHDSACASA-N 306.366 0.408 0 50 DCAA Cc1cccc(=O)n1CCCNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1N 299798377 RGWACAORMDMMSV-CLWVCHIJSA-N 301.390 0.812 0 50 DCAA Cc1cc(C(=O)NCCN2CCCOC2=O)c(=O)n(C)c1C 299756631 GFBCFXHWJZYHOM-UHFFFAOYSA-N 307.350 0.574 0 50 DCAA CN1CCN([C@@H]2CCN(C(=O)c3c(O)cccc3F)C2)CC1 584898153 HVMYZUBPTQEDAI-GFCCVEGCSA-N 307.369 0.993 0 50 DCAA 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C[C@H]1CN(C(=O)c2ccnc(C3CC3)n2)CCN1S(C)(=O)=O 408120979 ZYUSLBMMUBBRHX-JTQLQIEISA-N 324.406 0.460 0 50 DCAA C[C@@H](NC(=O)CC(C)(C)C)C(=O)NC1(C(=O)O)CCOCC1 663143772 JEYZGTOFRCDETD-SNVBAGLBSA-N 314.382 0.677 0 50 DCAA NC(=O)N[C@H](CO)C(=O)N1CCC(c2cccc(F)c2)CC1 1615590738 PQFJSKLUPGVELQ-CYBMUJFWSA-N 309.341 0.561 0 50 DCAA O=C([C@H]1CCCCn2nnnc21)N1CCC(C2(O)CC2)CC1 1772808202 ISPZQMQJMUQKKQ-LBPRGKRZSA-N 305.382 0.704 0 50 DCAA CNC(=O)Cc1nc(-c2c(C)ncn2C)n(CC(F)(F)F)n1 1857715162 FKKMSDFFESUYRX-UHFFFAOYSA-N 316.287 0.838 0 50 DCAA COc1cccc(C(=O)N2C[C@H]3COC[C@@H](C2)C(=O)N3)c1OC 1857711805 FNWFRRMLHNPIEE-MNOVXSKESA-N 320.345 0.291 0 50 DCAA Cc1cc(C(=O)N2CC[C@@]34OCCN3C(=O)C[C@@H]24)nc(C)n1 1857715729 FMAFINIGRYQPPP-DOMZBBRYSA-N 302.334 0.267 0 50 DCAA NC(=O)C[C@]1(O)CCCN(CCc2ccc3c(c2)CCO3)C1 643805335 IBQJWTQTSKQWMJ-QGZVFWFLSA-N 304.390 0.866 0 50 DCAA C[C@H](C(=O)O)N1CCN(c2nnnn2-c2ccccc2)CC1 237466018 AWJDOSKFQRKXJR-LLVKDONJSA-N 302.338 0.257 0 50 DCAA C[C@@]1(C(=O)Nc2cccc3c2NC(=O)CO3)CCNC(=O)C1 906118482 IWPMFIWXMLTOCL-OAHLLOKOSA-N 303.318 0.872 0 50 DCAA CC[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1C(=O)N1CCOC[C@H]1CC 932958717 OFLAFHADNPKQII-TUVASFSCSA-N 324.421 0.897 0 50 DCAA CCS(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 120069 AQTZIMLAUBWICR-UHFFFAOYSA-N 300.355 0.933 0 50 DCAA CN(C)S(=O)(=O)c1ccc(N2CC[C@H](N)C2)c2nonc12 2556800 SZJGHUNJZRXXCA-QMMMGPOBSA-N 311.367 0.011 0 50 DCAA O=C(NC[C@H](O)c1cccc(O)n1)C1(Cn2cccn2)CC1 2356153584 NCTWPVLXUCPXGX-LBPRGKRZSA-N 302.334 0.614 0 50 DCAA O=C1NC[C@H]2CN(C(=O)CCc3n[nH]c4c3CCCC4)C[C@@H]12 2356157748 OXRHOQMOTQBRMB-CMPLNLGQSA-N 302.378 0.426 0 50 DCAA CCCCN1N=C(C)Cn2c1nc1c2c(=O)n(CC)c(=O)n1C 10328952 RDDMDSOKPVPGBV-UHFFFAOYSA-N 318.381 0.913 0 50 DCAA C[C@@H](Oc1cccnc1)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 330534497 USBPOOXEHOGYCE-ZYHUDNBSSA-N 313.379 0.128 0 50 DCAA CC(C)C[C@H](NC(=O)[C@@H](O)[C@@H](N)Cc1ccccc1)C(=O)O 7996813 VGGGPCQERPFHOB-IHRRRGAJSA-N 308.378 0.533 0 50 DCAA biogenic,in-vitro 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DCAA COCc1noc(CCNC(=O)[C@@H]2Cc3ccccc3O2)n1 222854116 VLYDYOBGXVNCKU-LBPRGKRZSA-N 303.318 0.878 0 50 DCAA O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3nnc[nH]3)cc2o1 225448210 JCOWPRZEMXTZSA-UHFFFAOYSA-N 315.698 0.693 0 50 DCAA CC(C)OC[C@H](O)CN[C@H]1CCCC[C@@H]1NS(C)(=O)=O 225671324 QYJAOJYZANTWEG-AGIUHOORSA-N 308.444 0.222 0 50 DCAA Cc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@H]2CCN(C)[C@H]2C1 248131446 NFQXNFWDAVLWPP-RISCZKNCSA-N 323.418 0.419 0 50 DCAA CSCC[C@@H](CO)NC(=O)[C@H]1CCCN(c2ncccn2)C1 252508025 XAPDIKUTUXHZRC-STQMWFEESA-N 324.450 0.923 0 50 DCAA Cn1nccc1N1CCC[C@@H](NC(=O)CC2OCCCO2)C1 253392607 IYOTWKQTYOTFQF-GFCCVEGCSA-N 308.382 0.658 0 50 DCAA CNS(=O)(=O)c1csc(C(=O)NCCCCC(=O)O)c1 262314318 DEPJLNUBHMPZKE-UHFFFAOYSA-N 320.392 0.641 0 50 DCAA O=C(O)Cn1ccc(NC(=O)CS(=O)(=O)C2CCCC2)n1 262947881 IKVDSFPEKLQTDR-UHFFFAOYSA-N 315.351 0.264 0 50 DCAA CCNC(=O)N1CCN(C(=O)Cc2ccc(C(=O)O)cc2)CC1 263351746 PWGOTXZBUWVBCY-UHFFFAOYSA-N 319.361 0.801 0 50 DCAA Cc1cc(C)n(CC(=O)N2CCN(C)[C@@H](c3nccn3C)C2)n1 275332784 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314.170 0.960 0 50 DCAA in-vitro Cc1ccoc1C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)O)C1 237017182 JTDAMPRBXVIJKZ-LLVKDONJSA-N 308.334 0.983 0 50 DCAA O=C(O)[C@H]1CS(=O)(=O)CCN1C(=O)C1CC2(C1)CC2(F)F 852945174 ODGCJRUFSMSOBS-JKDSDDBFSA-N 323.317 0.132 0 50 DCAA c1nn(C2CCN(CCO[C@@H]3CCOC3)CC2)c2c1CNC2 923383891 NVCFKWDPJMQAKC-OAHLLOKOSA-N 306.410 0.929 0 50 DCAA NS(=O)(=O)C[C@H]1CCN(C(=O)c2ccc(C(=O)O)s2)C1 426593507 AJIVJWVKLLVINC-ZETCQYMHSA-N 318.376 0.197 0 50 DCAA CN(C)c1nc(N2CCn3c(CN)nnc3C2)nc2ccccc12 2325817983 LTQANPXOFBCQJF-UHFFFAOYSA-N 324.392 0.766 0 50 DCAA NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1 896918 GJQPMPFPNINLKP-UHFFFAOYSA-N 305.164 0.288 0 50 DCAA fda O=C(O)CN1C(=O)/C(=C2\SC(=O)NC2=O)c2ccccc21 1216011 CHXJLJYUCDNPOZ-KTKRTIGZSA-N 304.283 0.812 0 50 DCAA COc1ccc(OC)c(NC(=O)C(=O)NC[C@@H]2CCCO2)c1 2501289 VFWCHPITFIBGJU-NSHDSACASA-N 308.334 0.938 0 50 DCAA COc1ccccc1CCNC(=O)CN1CCC[C@H](C(N)=O)C1 7448528 VPTAAHYHWJNCFX-AWEZNQCLSA-N 319.405 0.551 0 50 DCAA 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301.306 0.599 0 50 DCAA CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)Cn1cccnc1=O)C2 97766647 DNOBSKZTELMIED-QWHCGFSZSA-N 318.377 0.103 0 50 DCAA CN(C)C(=O)NCC(=O)N1CC[C@H](Cc2cccc(CO)c2)C1 91707733 UAMCDUKLDFZRQR-CQSZACIVSA-N 319.405 0.841 0 50 DCAA CN1C(=O)C[C@H](C(=O)N2CCOC[C@H]2C(=O)O)c2ccccc21 299748222 GMNNQWRLEYJHNO-AAEUAGOBSA-N 318.329 0.449 0 50 DCAA COc1ccc(C(=O)N2CC[C@H]3OCc4cnnn4[C@H]3C2)cn1 299763874 GFAWGWRPGWHYPG-QWHCGFSZSA-N 315.333 0.668 0 50 DCAA CCOCC(=O)N[C@@H]1CCN(Cc2csc(C)n2)C[C@H]1O 299783259 ZLNDQERSDNSPHN-CHWSQXEVSA-N 313.423 0.539 0 50 DCAA CN(C)S(=O)(=O)CCNC(=O)c1n[nH]c2c1CCCCC2 291561341 NZFTVUNACQMCMG-UHFFFAOYSA-N 314.411 0.300 0 50 DCAA CCNC(=O)[C@@H]1CCN(S(=O)(=O)c2cccc(OC)c2)C1 823123301 AADKNVJHDFNZCP-LLVKDONJSA-N 312.391 0.842 0 50 DCAA O=C(NCCN1CCCC1=O)c1ccccc1N1CCOCC1 580958527 DWALRFMVUPFABR-UHFFFAOYSA-N 317.389 0.875 0 50 DCAA COc1ccnc(NC(=O)[C@@H]2CC(=O)N(C3CN(C)C3)C2)c1 952888642 URLAZRVYVXYZDC-SNVBAGLBSA-N 304.350 0.191 0 50 DCAA 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0 50 DCAA NC(=O)CC[C@@H](NC(=O)CCc1ccc2[nH]ccc2c1)C(=O)O 2325805601 VPQQRKZTCXVXAH-CYBMUJFWSA-N 317.345 0.935 0 50 DCAA CC(=O)N1CCCC[C@H](NC(=O)c2cccc(C(N)=O)c2)C1 943357041 NIWGHJVYXHFVSV-AWEZNQCLSA-N 303.362 0.916 0 50 DCAA Cn1cc(S(=O)(=O)Nc2ncn(Cc3ccccc3)n2)cn1 2803842 WDSZELCUJCVZAM-UHFFFAOYSA-N 318.362 0.861 0 50 DCAA C[S@](=O)CC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O 2875373 OHBLCPSPVBXNBB-XTZNXHDOSA-N 305.377 0.187 0 50 DCAA Cn1nnnc1SCCC(=O)NC1Cc2ccccc2C1 19642560 XSXIWQJLKMYJSX-UHFFFAOYSA-N 303.391 0.976 0 50 DCAA COC(=O)[C@H]1Cc2nc[nH]c2CN1C(=O)c1ccc(OC)o1 20109918 IKMFUKBECAPUGN-SNVBAGLBSA-N 305.290 0.751 0 50 DCAA Cc1cc(C(=O)N2CCN3CCN(C)C[C@@H]3C2)c(=O)n(C)c1C 65373412 DDFDEKHPVBVYRS-CQSZACIVSA-N 318.421 0.074 0 50 DCAA Cc1cc(C)n(-c2ccc(C(=O)N(C)C[C@H](O)CO)cc2)n1 65374568 XAWZQBPIZIWPHH-HNNXBMFYSA-N 303.362 0.914 0 50 DCAA Cn1ccn2ncc(C(=O)NC[C@H](O)CN3CCCCCC3)c12 65469024 WMCSECOESYYZDP-ZDUSSCGKSA-N 319.409 0.640 0 50 DCAA O=C(NC1(CO)CCCC1)c1cc(CN2CCOCC2)on1 67674736 OPECSACEIAKVJU-UHFFFAOYSA-N 309.366 0.542 0 50 DCAA Cc1ccc(C(=O)N2CCC3(CC2)C(=O)NCCN3C)cc1O 67677615 QJGRSHLRKPWLFO-UHFFFAOYSA-N 317.389 0.737 0 50 DCAA COCC(=O)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 82230627 BZZMNIUUWUAABD-UHFFFAOYSA-N 319.409 0.762 0 50 DCAA COc1cc2c(cc1CNC(=O)CN1C(=O)CNC1=O)CCC2 92019650 NSALIHZBTZMMFQ-UHFFFAOYSA-N 317.345 0.352 0 50 DCAA CCCN1CCC(Cc2noc(CN3C(=O)CNC3=O)n2)CC1 95354748 PFYXIUXCBLHZRX-UHFFFAOYSA-N 321.381 0.786 0 50 DCAA CCc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)o1 95372667 VERWPZVIYQIDIB-UHFFFAOYSA-N 302.338 0.453 0 50 DCAA Cn1cc(C(=O)N2CCN(Cc3ccoc3)C[C@@H](O)C2)cn1 97323912 DNZQEHSSVRLDTI-CQSZACIVSA-N 304.350 0.332 0 50 DCAA CC(=O)N1CCN(C2CCN(Cc3ccco3)CC2)C[C@@H](O)C1 97634940 FFBIKTUDBPOIDZ-INIZCTEOSA-N 321.421 0.769 0 50 DCAA CCC(CC)C(=O)N1CCN(Cc2n[nH]c(C)n2)C[C@H](O)C1 97694615 HUYJFGMHXXEYBS-ZDUSSCGKSA-N 309.414 0.554 0 50 DCAA O=C(NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)[C@H](O)c1ccccc1 104279196 VXRTUXGMCSLHLX-ODXJTPSBSA-N 312.325 0.558 0 50 DCAA 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DCAA Cn1ccn2ncc(C(=O)NC[C@@H](O)c3cccc(O)n3)c12 2356138729 GJYAYKAKRDHKRM-LLVKDONJSA-N 301.306 0.237 0 50 DCAA CCCN1CCC(N2CCN(S(=O)(=O)CC)CC2)CC1 4703362 FYIJVCQDBULOTD-UHFFFAOYSA-N 303.472 0.828 0 50 DCAA Cc1ccc(S(=O)(=O)NCCO)cc1C(=O)N1CCCC1 6703603 DKDLFRGXYWOXBQ-UHFFFAOYSA-N 312.391 0.502 0 50 DCAA COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cncc(-n2ccnn2)c1 344800667 FPGJPGUMPGWDSY-UONOGXRCSA-N 317.349 0.538 0 50 DCAA CC(C)O[C@H]1CN(C(=O)CCC(=O)NC2CCCC2)C[C@@H]1O 55099212 PAUGYAZMNRIECT-KBPBESRZSA-N 312.410 0.822 0 50 DCAA Cc1nc(CC(=O)N2CCc3ccccc3[C@@H]2C(=O)O)n[nH]1 863981661 FIDSPBAJNHITTB-CQSZACIVSA-N 300.318 0.866 0 50 DCAA CCN1CCN(C(=O)[C@]2(O)CCSC2)C[C@H]1c1ncc[nH]1 328614601 ALZCHUCWIJUZEH-FZMZJTMJSA-N 310.423 0.483 0 50 DCAA COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC 2094 PJSFRIWCGOHTNF-UHFFFAOYSA-N 310.335 0.877 0 50 DCAA biogenic,world O=C(O)CO[C@H]1CCOC[C@H]1NC(=O)c1cc(C2CC2)no1 218724378 ORFBVBXIBZIKJZ-MNOVXSKESA-N 310.306 0.541 0 50 DCAA O=C([C@@H]1C[C@@H](F)CN1c1ncnc2n[nH]cc12)N1CCOCC1 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0.577 0 50 DCAA O=C(O)[C@H]1C[C@H]2CC[C@H]1N2C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 844242351 PEIMQUJLSOPGIY-PKZYVASSSA-N 318.333 0.227 0 50 DCAA O=C(Nc1cnn(-c2ccccn2)c1)N[C@@H](CO)c1ncc[nH]1 1669349936 TYAFBAISYRDGGS-NSHDSACASA-N 313.321 0.846 0 50 DCAA O=C(O)[C@@H]1c2ccccc2OCCN1C(=O)Cn1cccn1 911052735 KCCXBQBCVQERQG-AWEZNQCLSA-N 301.302 0.930 0 50 DCAA CN(C)[C@@H]1CN(C(=O)CCc2ccon2)C[C@@H]1n1ccnn1 862937651 JUAZIHILWHAWSE-OLZOCXBDSA-N 304.354 0.212 0 50 DCAA O=C(O)C1(CNS(=O)(=O)c2ccccc2C2CC2)COC1 2325792259 QGHXSNUZZFCUFZ-UHFFFAOYSA-N 311.359 0.944 0 50 DCAA C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(=O)N1CCOCC1)C(=O)N2 316929 DZOGEVYEXFQKMC-QEORTHHSSA-N 316.357 0.874 0 50 DCAA biogenic O=C(O)CS(=O)(=O)CC(=O)NCc1ccccc1Cl 2561430 ABUVYSJJCDGUFZ-UHFFFAOYSA-N 305.739 0.456 0 50 DCAA COCCN1CC2=C(C1=O)[C@H](c1ccc(O)cc1)NC(=O)N2C 6668398 UTCYXFWTPXHWPV-AWEZNQCLSA-N 317.345 0.831 0 50 DCAA O=C(O)c1cccc2c1C(=O)OI2(=O)O 12649527 YGABLFBBILUMGY-UHFFFAOYSA-N 324.026 0.935 0 50 DCAA in-vitro 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O=C(c1cc(O)nc2ccc(F)cc12)N1CC[C@@H](NCCO)C1 1875278103 YYXLKZWLANYVFE-LLVKDONJSA-N 319.336 0.876 0 50 DCAA O=C(N[C@H]1CCc2nnc(O)cc2C1)c1ccc2c(c1)C(=O)NC2 1875361571 VSHINFLVFPGCIQ-LBPRGKRZSA-N 324.340 0.713 0 50 DCAA COCC1(CS(=O)(=O)N[C@H]2CC[C@@H](C)NC2=O)CCC1 2325782641 QGTYSSLRRVNAGZ-MNOVXSKESA-N 304.412 0.390 0 50 DCAA COCc1noc(CCNC(=O)c2cnc3ccnn3c2C)n1 2325819457 FRKIBXUCDFSIAB-UHFFFAOYSA-N 316.321 0.540 0 50 DCAA CNc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(NC)n1 23472 JELFWSXQTXRMAJ-UHFFFAOYSA-N 308.367 0.943 0 50 DCAA in-vivo CCOc1ccc(Oc2nc(N(C)C)nc(N(C)C)n2)nn1 117780 WOVQZMMYDDRUCV-UHFFFAOYSA-N 305.342 0.985 0 50 DCAA CCOC(=O)Cc1nnc(-c2nnc(CC(=O)OCC)o2)o1 121191 ZNDGGLCASGMKCB-UHFFFAOYSA-N 310.266 0.331 0 50 DCAA COCCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n1C 2434985 LFAAUOYEEHONCX-UHFFFAOYSA-N 314.345 0.871 0 50 DCAA Cn1ccnc1[C@@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)C1CC1 67880373 CRPNJVZDICUMTH-NSHDSACASA-N 319.365 0.318 0 50 DCAA CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCn1ccnn1 347172280 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0 50 DCAA COc1cccc(C(=O)NCC(=O)N2CC[C@H](O)C2(C)C)c1 361158253 CTPGDWFZCGJXOR-ZDUSSCGKSA-N 306.362 0.797 0 50 DCAA O=C(COCC(F)(F)C(F)F)NCc1cc2n(n1)CCNC2 82114952 OFXFYQYHGCWXBJ-UHFFFAOYSA-N 324.278 0.520 0 50 DCAA COc1ccnc(C(=O)N2CCC(CO)(CN(C)C)CC2)c1 426427884 DWISAYZBXDJZTN-UHFFFAOYSA-N 307.394 0.867 0 50 DCAA C[C@H]1Oc2ccccc2N(CC(=O)N2CC[C@@H](C(=O)O)C2)C1=O 269174652 JAOXJDALUZVXST-GHMZBOCLSA-N 318.329 0.734 0 50 DCAA Cc1cc(=O)cc(C(=O)N2C[C@H](CO)[C@H](CN3CCCC3)C2)o1 91562945 QVSKPBLUEXVIKV-ZIAGYGMSSA-N 320.389 0.725 0 50 DCAA COCCc1noc(CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)n1 91665837 FUWCUODDWYHCLD-SNVBAGLBSA-N 324.381 0.522 0 50 DCAA O=C(Cn1ccc2ccccc2c1=O)N1CCS(=O)(=O)CC1 95512077 LMAOZUFOQNCXHK-UHFFFAOYSA-N 320.370 0.259 0 50 DCAA Cn1cc(CC(=O)N2C[C@@H](C(=O)O)[C@H](C(F)(F)F)C2)cn1 299741485 FFLXTEDITHVULU-RKDXNWHRSA-N 305.256 0.684 0 50 DCAA C[C@H](N)[C@H]1CCCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C1 299739804 RNCIGAGBPHZCAB-RWMBFGLXSA-N 317.455 0.386 0 50 DCAA Cn1cc([C@@H](NC(=O)c2cccc(O)n2)[C@H]2C[C@@H](O)C2)cn1 253535149 DTKGVRFZZGHCFC-PXWWUCIGSA-N 302.334 0.763 0 50 DCAA Cc1cc(C(=O)N[C@H](c2cnn(C)c2)[C@H]2C[C@@H](O)C2)nc(N)n1 252536556 IVYBTPOKRGZEIF-NDMJEZRESA-N 316.365 0.343 0 50 DCAA CC(C)NC(=O)CNC(=O)c1cccc(-c2nccc(N)n2)c1 534581133 LGCATOGWEUTVSJ-UHFFFAOYSA-N 313.361 0.980 0 50 DCAA CCc1cc(CN2C[C@@H](c3cn(C)nn3)[C@@H](CC(=O)O)C2)[nH]n1 299790139 AQTYBLWWUKBUNW-GXFFZTMASA-N 318.381 0.791 0 50 DCAA CC[C@H](C)[C@@H](CO)NC(=O)[C@@H](c1ccccc1)n1cnnn1 575443431 FWCSRZFMNNWAEL-IACUBPJLSA-N 303.366 0.786 0 50 DCAA COc1cccc2c1OC[C@@H](NC(=O)c1cc(O)nc(O)n1)C2 670450466 NECAVSXSGMLVHJ-VIFPVBQESA-N 317.301 0.630 0 50 DCAA CC[C@@H](CO)Nc1cc(N2C[C@@H](OC)C[C@H]2COC)ncn1 871100757 APETZKYRFKNMNV-AVGNSLFASA-N 310.398 0.900 0 50 DCAA C/C=C/c1cn([C@@H]2CN(C(=O)[C@H]3CN(C)CCO3)C[C@@H]2C)nn1 1875323437 IWAWOZHRUOKXTL-ZNSQAGSRSA-N 319.409 0.661 0 50 DCAA Cc1n[nH]c(C)c1C[C@@H](C)C(=O)N1Cc2n[nH]cc2[C@@H]1C(N)=O 1875349146 OBDUOCRUMFXTBM-FUXBKTLASA-N 316.365 0.497 0 50 DCAA COc1ccc(CCNC(=O)C[C@@H]2CN(C)C[C@H]2O)c(F)c1 1875403965 NGIJUNZPHJFCAO-IUODEOHRSA-N 310.369 0.806 0 50 DCAA N=c1nn[nH]n1CC(=O)NCc1csc(-c2cccs2)n1 952862875 RFBIWKXHNQCBEL-UHFFFAOYSA-N 321.391 0.587 0 50 DCAA CCS(=O)(=O)N1CCC[C@@H](CNC(=O)C2CCOCC2)C1 952871681 AXWXIMYMAVPQBN-LBPRGKRZSA-N 318.439 0.591 0 50 DCAA Cc1cc(C(=O)NCc2nnc(O)n2C)c2c(C)noc2n1 585130202 KJGKCBLHWJGNGJ-UHFFFAOYSA-N 302.294 0.604 0 50 DCAA Cc1cc(C)n([C@@H](C)CC(=O)NS(=O)(=O)[C@@H]2CCOC2)n1 408387976 UAMLBHMPJAAENL-NWDGAFQWSA-N 315.395 0.686 0 50 DCAA CN(CCN(C)C1CC1)C(=O)CCN1C(=O)CCNC1=S 408517186 BQPNQIFLYOCYMK-UHFFFAOYSA-N 312.439 0.036 0 50 DCAA C[C@@H]1C(=O)NCCCN1C(=O)Cc1nn(C)c2ccccc12 576098696 IZZBAFGLOYZJPT-LLVKDONJSA-N 300.362 0.853 0 50 DCAA Cc1nn(C)c(Cl)c1CN1CC[C@@](O)(Cn2ccnn2)C1 794156366 RVIBLPPAMZKSFR-ZDUSSCGKSA-N 310.789 0.610 0 50 DCAA O=C(N[C@]12CCC[C@H]1NCC2)c1ccc(Cn2ccnn2)o1 1615547768 QABQGENNQMVRBO-HIFRSBDPSA-N 301.350 0.934 0 50 DCAA CN(Cc1nncn1C)C(=O)Cc1nnc(O)c2ccccc12 1641626998 CPCLVVKTZWJMLI-UHFFFAOYSA-N 312.333 0.665 0 50 DCAA O=C(CSc1nnnn1-c1ccccc1)Nc1nnc[nH]1 19849818 ATZXZJPCYDGDOH-UHFFFAOYSA-N 302.323 0.511 0 50 DCAA O=C1N=C(O)[C@]2(N1)C1CN3CCN(C1)CC2(c1ccccc1)C3 19866129 NDEYEWNCRURSJL-QWFMPGPPSA-N 312.373 0.604 0 50 DCAA CC(C)C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCc2cncn2C1 408523087 ORUGOLSWZHUIDQ-TZMCWYRMSA-N 304.394 0.819 0 50 DCAA CNC[C@H]1CCCN(S(=O)(=O)c2cc(Cl)cnc2N)C1 237317739 JQDZORUEDUSBOV-SECBINFHSA-N 318.830 0.937 0 50 DCAA O=C(O)C[C@@H]1COCCN1C(=O)COCCc1ccccc1 263314770 QBBBVLCJPCKFDJ-CQSZACIVSA-N 307.346 0.948 0 50 DCAA COC(OC)C(=O)N1CCN(CCO[C@H]2CCCCO2)CC1 857706524 YENWLXWWPGPYDC-ZDUSSCGKSA-N 316.398 0.293 0 50 DCAA Cc1cc(C)n(CCC(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)n1 1704324670 CVWOYYJGTIKUOD-GJZGRUSLSA-N 306.410 0.679 0 50 DCAA CN(C)c1nccnc1N1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 1704313000 DHEYVZQPFSFQPM-CZUORRHYSA-N 305.426 0.826 0 50 DCAA COc1ccc2oc(CNC(=O)[C@@H]3CN(C)CC[C@@H]3O)nc2c1 2100477660 FUCUIWBZPSTXIK-YPMHNXCESA-N 319.361 0.765 0 50 DCAA COC(=O)N(C)CCCN(C)c1nc(O)c2c(ncn2C)n1 2325792969 ZBADDYZOYXCOSR-UHFFFAOYSA-N 308.342 0.593 0 50 DCAA Cn1nnc(NS(=O)(=O)c2ccc(/C=C/C(=O)O)cc2)n1 127094443 CYNPLBJLMJMEIZ-QPJJXVBHSA-N 309.307 0.109 0 50 DCAA CCS(=O)(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1 120116 YNLRQQPHNZRGRG-UHFFFAOYSA-N 312.391 0.803 0 50 DCAA CC(C)(C)NC[C@H](O)COc1cccc2c1C[C@@H](O)[C@@H](O)C2 1530731 VWPOSFSPZNDTMJ-AEGPPILISA-N 309.406 0.635 0 50 DCAA biogenic,in-vitro COc1ccc(C)cc1S(=O)(=O)N1CCN(C(C)=O)CC1 7667697 NTETVDXHPLHYPO-UHFFFAOYSA-N 312.391 0.856 0 50 DCAA C[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccccc3)CN2C1=O 14749172 MPEHIJVTCBBZJS-DLOVCJGASA-N 302.334 0.296 0 50 DCAA C[C@@]1(C(=O)N2CCC(n3cc(CO)nn3)CC2)CCCCO1 23506723 UXKYAHHPDIFWEU-HNNXBMFYSA-N 308.382 0.893 0 50 DCAA O=C(CC[C@H]1NC(=O)NC1=O)NCCc1c[nH]c2ccccc12 41295394 GIYCPAVXJVWHRA-CYBMUJFWSA-N 314.345 0.815 0 50 DCAA CN1CCN(C(=O)c2ccccc2-c2ncc[nH]2)C[C@@H]1C(=O)O 67726651 QZDFUEOEUBRTCR-CYBMUJFWSA-N 314.345 0.918 0 50 DCAA CC(C)(O)CCc1cccc(C(=O)N2CC[C@](O)(CO)C2)c1 72409553 AUKWIEAYNDQENQ-QGZVFWFLSA-N 307.390 0.959 0 50 DCAA CC(C)n1cc(C(=O)NCCN2CCC[C@@H](C(N)=O)C2)cn1 77471855 MAZSWEJUNYUGJK-GFCCVEGCSA-N 307.398 0.391 0 50 DCAA O=S(=O)(NC[C@@H]1C[C@H](F)CN1)c1ccc(-n2cccn2)cc1 82106843 AZHJBVVNNKHLIB-RYUDHWBXSA-N 324.381 0.851 0 50 DCAA COc1ccc2c(c1)C[C@@H](C(=O)NCCN1CCNC1=O)CO2 91433806 ZYOMLLBQKJCNPB-GFCCVEGCSA-N 319.361 0.388 0 50 DCAA O=C(NCCc1c[nH]cn1)[C@@H]1CC(=O)N(Cc2ccncc2)C1 91518837 NKKXNHMLDLVDEW-CYBMUJFWSA-N 313.361 0.512 0 50 DCAA COCc1noc(CCNC(=O)[C@@H]2CCCN(C(C)C)C2)n1 95512738 XXNOFZVKPOQORL-GFCCVEGCSA-N 310.398 0.995 0 50 DCAA Cc1nc(CN2CCN(C(=O)c3ccc(C)n3C)CC2)n[nH]1 118682876 DDRLCWWCZDVVQY-UHFFFAOYSA-N 302.382 0.718 0 50 DCAA CC(C)(C)n1cc(NC(=O)N2CCS(=O)(=O)CC2)cn1 161519990 DOIAYRQNAACZTI-UHFFFAOYSA-N 300.384 0.900 0 50 DCAA COc1ccnc(N2CCN(C(=O)[C@H](C)n3cncn3)CC2)c1 170924066 MZPFRXRPQVQQMO-LBPRGKRZSA-N 316.365 0.592 0 50 DCAA Cc1ccn2ncc(C(=O)N[C@H](C)c3nnnn3C3CC3)c2n1 190287450 FSEGWJOBEFIHCQ-SECBINFHSA-N 312.337 0.850 0 50 DCAA O=C(NCCc1noc([C@H]2CCCO2)n1)c1ncccc1O 215597439 JWWWOSLHRFQOTK-SNVBAGLBSA-N 304.306 0.994 0 50 DCAA Cc1cc(N)n(CC(=O)N2CCC[C@@H](N3CCCC3=O)C2)n1 215963446 AKQPRTYCLBEYDL-GFCCVEGCSA-N 305.382 0.387 0 50 DCAA Cc1cc(C)n2c(C(=O)NCCc3nnc(N)s3)nnc2n1 220166813 RKORLKNALYULGP-UHFFFAOYSA-N 318.366 0.147 0 50 DCAA O=c1ccc(-n2cncn2)nn1CN1CCO[C@H]2CCCC[C@H]21 230254555 UJYKBDURWXERMH-OLZOCXBDSA-N 316.365 0.425 0 50 DCAA CNC[C@H]1CCCN1C(=O)c1ccc(S(N)(=O)=O)c(F)c1 237257166 YAJRBSFBEWEWCJ-SNVBAGLBSA-N 315.370 0.297 0 50 DCAA O=C(O)[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 238035319 BIGNPTUELQVBPA-BDAKNGLRSA-N 322.283 0.863 0 50 DCAA Cc1nc(N(C)C)ncc1C(=O)N1C[C@@H]2CCC[C@@H](C1)C(=O)N2 248098794 HCPKHJSHUVZZRG-RYUDHWBXSA-N 317.393 0.592 0 50 DCAA O=C(O)CCNC(=O)CCn1c(O)nc(=O)c2ccccc21 262267849 UHKSOBCZPTUXBJ-UHFFFAOYSA-N 305.290 0.083 0 50 DCAA CCCC(=O)N1CCC[C@@H](C(=O)N2CCOC[C@H]2C(=O)O)C1 262406541 ARYJCMSPOUWRFY-NEPJUHHUSA-N 312.366 0.337 0 50 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305.378 0.917 0 50 DCAA O=C(NCC1CCN(CCn2ccnc2)CC1)[C@@H]1CCOC1 952868982 CTYQQCTYRKBKJB-OAHLLOKOSA-N 306.410 0.748 0 50 DCAA Cc1cc(N)cc(CNS(=O)(=O)N2CCC[C@H]2C(=O)O)c1 952885115 ZOHPIDKWIYAFBK-LBPRGKRZSA-N 313.379 0.461 0 50 DCAA COCCN(CCOC)C1CN(C(=O)O[C@H]2CCOC2)C1 952964954 YPMDVHYVFZZAAZ-ZDUSSCGKSA-N 302.371 0.191 0 50 DCAA CSCCN1CCC(NC(=O)[C@H](C)Cn2cncn2)CC1 952971759 XXLWWCSLIPIODR-GFCCVEGCSA-N 311.455 0.858 0 50 DCAA CCc1noc([C@@H]2CC[C@H](NC(=O)N[C@H]3C[C@H](C(N)=O)C3)C2)n1 1478984894 OCWBTWDQAVDWEW-CHWFTXMASA-N 321.381 0.831 0 50 DCAA CN(CCNC(=O)N[C@H]1CCNC[C@@H]1O)CCc1ccccc1 1565512678 DPHVLXJNKQJMMZ-HOTGVXAUSA-N 320.437 0.183 0 50 DCAA O=C(O)CC[C@@H]1C[C@H](C(=O)NCCC(=O)Nc2ncc[nH]2)CO1 1595002354 SVRRXQUZHQFMSO-VHSXEESVSA-N 324.337 0.124 0 50 DCAA CN1CCC[C@]2(CO)CCN(C(=O)c3cc(O)ccc3N)C[C@@H]12 1704302612 AGOUFSFTAHAQOC-NVXWUHKLSA-N 319.405 0.893 0 50 DCAA COc1ccc(-c2cnc(CNS(=O)(=O)N(C)C)[nH]2)cc1 1775991609 RZXBYAUFGITBIZ-UHFFFAOYSA-N 310.379 0.981 0 50 DCAA 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Cc1ncccc1CN1C[C@H]2COC[C@@H]1CN(CC(=O)O)C2 2356159343 WQYHRHUNKDTCTL-ZFWWWQNUSA-N 305.378 0.607 0 50 DCAA CCn1cc(NC(=O)c2c(Cl)c(C)nn2C)c(C(N)=O)n1 2781265 GTJOUHUQJZJDHH-UHFFFAOYSA-N 310.745 0.950 0 50 DCAA C=COCCNS(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)O2 12417103 YMSJRZMKFSPNKE-SECBINFHSA-N 312.347 0.844 0 50 DCAA Cc1cccc2nc(C(=O)N3CC[C@H](CO)[C@H](O)C3)c(F)n12 72154906 NGVCSYDJRUVMMQ-GHMZBOCLSA-N 307.325 0.597 0 50 DCAA Nc1n[nH]c(C(=O)N2CCC[C@H](N3CCCC3=O)C2)c1Cl 215546453 ZPFKWMJPDGHJNV-QMMMGPOBSA-N 311.773 0.872 0 50 DCAA Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1C[C@@H]2OCCN(C)[C@@H]2C1 229885194 VNKFGBHXSURZPN-XZJROXQQSA-N 320.437 0.757 0 50 DCAA Cn1c(CCCNC(=O)[C@H]2C[C@H](O)CN2)nc2ccccc21 237729724 LRFMFCZMIPJRCT-WCQYABFASA-N 302.378 0.345 0 50 DCAA O=C(O)[C@@H]1CCCCN1C(=O)c1cccc(-n2cnnn2)c1 238046651 GQANNTCCHPEGPP-LBPRGKRZSA-N 301.306 0.742 0 50 DCAA CN(CC(=O)O)C[C@H]1CN(C(=O)[C@@H]2Cc3ccccc32)CCO1 262927632 LPTVZIVXQPGSLO-DZGCQCFKSA-N 318.373 0.570 0 50 DCAA Cc1cccc(N2CCN(C(=O)[C@@H]3C[C@H](O)CN3)CC2)c1C 299745325 XZUCNUXHBFNHHR-GJZGRUSLSA-N 303.406 0.675 0 50 DCAA CSCC(=O)N1CC[C@@H](NC(=O)c2cc(C)on2)[C@H](O)C1 299796451 OACXETSYQMUOCK-MWLCHTKSSA-N 313.379 0.038 0 50 DCAA CN(C[C@H](O)CN1CCOCC1)C[C@H]1CCc2nccn2C1 328638156 OZFLHCPAMQNMCH-CABCVRRESA-N 308.426 0.070 0 50 DCAA CO[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)[C@H]2CCCOC2)C1 329046882 VHFVBQQSLLNYTI-IHRRRGAJSA-N 310.394 0.651 0 50 DCAA C[C@H](C(=O)N1CCOC[C@H]1c1ncon1)N(C)CC(F)(F)F 330753839 DRWLVIKCIOHFLN-BDAKNGLRSA-N 322.287 0.852 0 50 DCAA C[C@@H](C(=O)N(C)C)S(=O)(=O)Nc1n[nH]c2cccc(F)c12 331193183 RVBMLEGDLLOAAK-ZETCQYMHSA-N 314.342 0.920 0 50 DCAA COc1ccc(C(=O)N(C2CC2)[C@@H](C)CS(C)(=O)=O)nn1 331908071 COQUCUODTVEAPD-VIFPVBQESA-N 313.379 0.523 0 50 DCAA CC(C)(C)N1C[C@@H](C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)CC1=O 332903160 MKBSKMUWCLVQEN-RYUDHWBXSA-N 321.421 0.761 0 50 DCAA NC(=O)Cn1cc(NC(=O)[C@@H]2CCCN2c2ccccc2)cn1 369327396 RNEZPSQEAOGKTN-AWEZNQCLSA-N 313.361 0.976 0 50 DCAA CC(=O)NCc1cc2n(n1)CCN([C@@H](C)C(=O)N1CCCC1)C2 426478095 VZZOCQJDPFNQNH-LBPRGKRZSA-N 319.409 0.346 0 50 DCAA CN1CCCN(CC(=O)NCc2ccc3nc(O)[nH]c3c2)CC1 584896558 NUUVVKVHTSALHN-UHFFFAOYSA-N 317.393 0.522 0 50 DCAA CN(C(=O)CN(C)S(C)(=O)=O)[C@@H](C(=O)O)c1ccccc1 584908022 YVDJUJAGLAWPOH-GFCCVEGCSA-N 314.363 0.162 0 50 DCAA CSC[C@@H](C)C(=O)N(C)CCn1cnc2c(N)ncnc21 585131067 KJHMOCLGBDSXJZ-SECBINFHSA-N 308.411 0.866 0 50 DCAA Cc1noc([C@H]2CN(CC(=O)NCC(F)(F)F)C[C@@H](C)O2)n1 625907345 STZBHDLIOSAMMV-VXNVDRBHSA-N 322.287 0.818 0 50 DCAA NC(=O)C[C@@]1(O)CCCN(C(=O)COCc2ccccc2)C1 643994298 BPMQHQKWGYQGBC-INIZCTEOSA-N 306.362 0.432 0 50 DCAA Cc1cc(N2CCN(CCn3cnnc3C)CC2)nc(N)n1 670439104 KPRHMXNZSYCERW-UHFFFAOYSA-N 302.386 0.089 0 50 DCAA CN(C)C(=O)CN1CC[C@@H](N2CCOC(C)(C)C2)CCC1=O 670473406 HYAKDBDLQNNCDK-ZDUSSCGKSA-N 311.426 0.567 0 50 DCAA C[C@@H](CCC(=O)NCc1csc(N)n1)N1CCN(C)CC1 821751211 UPZDDAWTBKPPCG-NSHDSACASA-N 311.455 0.758 0 50 DCAA Cc1nc(CC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)c(C)s1 885298407 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DCAA CC[C@@]12COC(=O)N1CCN(C(=O)CCc1ccc(O)nn1)C2 1857674150 UDULZVKZZVCDLB-OAHLLOKOSA-N 320.349 0.558 0 50 DCAA Cn1nc(C(=O)O)nc1N1CCN(C(=O)c2ccco2)CC1 1857714635 ZZCMGDCVHMQPOZ-UHFFFAOYSA-N 305.294 0.069 0 50 DCAA C=CC(=O)N1CCC(C(=O)N2CCC3(CCNC3=O)CC2)CC1 1875369247 CUVKWQVGXHWPMQ-UHFFFAOYSA-N 319.405 0.540 0 50 DCAA CN(C)C/C=C/C(=O)N[C@H]1CCC[C@H]1N1CCCN(C)CC1 1875375887 RSIQFPLWFAKIAQ-NJEVBOHQSA-N 308.470 0.779 0 50 DCAA O=C(NCc1ccnc2ccccc12)[C@@]1(c2nn[nH]n2)CCOC1 2325865104 MYSXGDGMNZFDKD-INIZCTEOSA-N 324.344 0.722 0 50 DCAA Cn1cnc2nc(N3CCC[C@@H](CS(C)(=O)=O)C3)ncc21 2356162968 NHOCRWKBJCYAOK-SNVBAGLBSA-N 309.395 0.624 0 50 DCAA COc1ccccc1CC(=O)N1CCO[C@@H](c2nnn(C)n2)C1 2356167288 MHRJKOBWMVKKAS-CYBMUJFWSA-N 317.349 0.361 0 50 DCAA C[C@H](CNC(=O)c1cncc(O)c1)NC(=O)c1cncc(O)c1 2099979 LMMZHPWDSHTAMF-SECBINFHSA-N 316.317 0.436 0 50 DCAA biogenic NC(=O)c1ccc(S(=O)(=O)c2ccc(C(N)=O)s2)s1 2904780 LAPJHYGHTIUKKU-UHFFFAOYSA-N 316.385 0.840 0 50 DCAA CC(=O)Nc1ccc(S(=O)(=O)NCCn2cncn2)cc1 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