smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(C(C)=O)cc(OC)c1OS(=O)(=O)F 1875375856 PYTAZUAUJGYJIN-UHFFFAOYSA-N 278.257 1.500 70 50 CDIA Cc1cc(=O)c(O)c([C@@H](CC(N)=O)CC(C)C)o1 217728999 RKEUPAOPKSFHNR-SECBINFHSA-N 253.298 1.659 70 50 CDIA biogenic Cc1nc(CCCNC(=O)Cn2ccnc2)sc1C 218720641 CVMGPUFSRAEMKC-UHFFFAOYSA-N 278.381 1.705 70 50 CDIA O=S(=O)(F)N1CCc2ncc(C(F)(F)F)cc2C1 1875375292 XPNYPRQPYYABHB-UHFFFAOYSA-N 284.234 1.673 70 50 CDIA CSCCC(=O)NCCc1noc(C2CCC2)n1 217161807 SZGXMJVOIKHPIW-UHFFFAOYSA-N 269.370 1.749 70 50 CDIA O=C(NC1CC1)c1cccc(OS(=O)(=O)F)c1 1875375893 SFINLTLEVCMYTN-UHFFFAOYSA-N 259.258 1.172 70 50 CDIA Cc1ncncc1C(=O)N[C@@H]1c2ccccc2C[C@H]1O 159874750 IRMGDLNTRHMJEE-ZIAGYGMSSA-N 269.304 1.173 70 50 CDIA CN1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1 216994464 WVGVPFAWZXBNIV-ZDUSSCGKSA-N 275.352 1.226 70 50 CDIA COC[C@@H]1CCN(C(=O)c2cc(C)n(C)c2C)C1 218364375 YSKAKLIOZPBSHW-GFCCVEGCSA-N 250.342 1.750 70 50 CDIA Nc1ccc(C(=O)NCC2(Cn3cccn3)CC2)cn1 218409625 RFFLMWIYZZLJQG-UHFFFAOYSA-N 271.324 1.071 70 50 CDIA O=C(O)c1cc(F)c(F)c(S(=O)(=O)Cl)c1 100448621 LYRVUABWLWZHNK-UHFFFAOYSA-N 256.613 1.591 70 50 CDIA O=C(CCCC(=O)c1ccccc1)N[C@@H]1CCOC1 217939088 PGQBZQQMDKKAQJ-CYBMUJFWSA-N 261.321 1.945 70 50 CDIA COc1ccnc(C(=O)NCCn2cnc(C)c2C)c1 218777662 JKQCZCAEBRDYNI-UHFFFAOYSA-N 274.324 1.334 70 50 CDIA O=C(c1c[nH]cc1-c1ccc(F)cc1)N1CCNCC1 159424344 FJIBEYGRJZXHEO-UHFFFAOYSA-N 273.311 1.866 70 50 CDIA C[C@H](N)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 159507978 YMKVJSNGJFXDTP-IINYFYTJSA-N 296.798 1.959 70 50 CDIA O=C1CCCc2c(cccc2OS(=O)(=O)F)N1 1875374159 CSMWJXBRJQKWPO-UHFFFAOYSA-N 259.258 1.555 70 50 CDIA CCOC(=O)C[C@@H](Cc1ccccc1)NC(=O)CCl 147248955 COHRAXAJPHYXRC-GFCCVEGCSA-N 283.755 1.906 70 50 CDIA CC(=O)c1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3O)c1 218573479 IZQKBCRPZVXFTL-FICVDOATSA-N 273.332 1.732 70 50 CDIA Cc1cc(=O)cc(C(=O)N(C)Cc2cccnc2)o1 217348719 WARTWDNYRAVPFM-UHFFFAOYSA-N 258.277 1.615 70 50 CDIA Cc1nnsc1CNC(=O)[C@@H](O)c1ccccc1Cl 218032805 RQPPQEUTAUUQML-NSHDSACASA-N 297.767 1.850 70 50 CDIA CCN(Cc1noc(C2CCC2)n1)C(=O)Cn1ccnc1 218622045 IOXNZNFPAJNFJC-UHFFFAOYSA-N 289.339 1.582 70 50 CDIA CCOC(=O)C1=C(OS(=O)(=O)C(F)(F)F)CCC1 95676407 ZFLPJHGXVFJDCI-UHFFFAOYSA-N 288.243 1.854 70 50 CDIA in-vitro CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ccncc1 160043455 ILLCPZQDENVRRH-JMSVASOKSA-N 275.352 1.553 70 50 CDIA Cc1nonc1CC(=O)NCc1cn2cccc(C)c2n1 217082305 OXDZYMAINNUJJR-UHFFFAOYSA-N 285.307 1.193 70 50 CDIA CC[C@H](N)C(=O)N1CCO[C@@H](c2ccccc2C)C1 160841979 PVKPNXUXSPULAV-UONOGXRCSA-N 262.353 1.632 70 50 CDIA O=c1[nH]c2cc3c(cc2cc1CN1CCCC1)OCO3 218517698 XXKSSRASVHTJHT-UHFFFAOYSA-N 272.304 1.853 70 50 CDIA Cc1cc(CN(C)C(=O)CN(C)Cc2ccncc2)on1 217072612 HUKMLMJBXMRQDZ-UHFFFAOYSA-N 288.351 1.468 70 50 CDIA CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)F)C1 675051868 JOPWFCARHAOTLY-ZETCQYMHSA-N 253.295 1.295 70 50 CDIA CC(=O)N1CCCc2cc(S(=O)(=O)F)ccc21 675066293 HCYRBKSCXFNGFA-UHFFFAOYSA-N 257.286 1.644 70 50 CDIA C[C@@H](Cc1cnccn1)N(C)C(=O)c1ccn(C(F)F)n1 218615186 JOGHIHHMQVXBKX-VIFPVBQESA-N 295.293 1.771 70 50 CDIA CC[C@H](C)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1=O 161291314 YSYZYKSXUCVFNA-NWDGAFQWSA-N 290.363 1.963 70 50 CDIA O=C(c1ccc(OS(=O)(=O)F)cc1)N1CCCC1 1875375876 QZIBKWGYOZNWDU-UHFFFAOYSA-N 273.285 1.516 70 50 CDIA Cc1cc(CC(=O)NCc2nc(-c3ccncc3)n[nH]2)on1 218100972 GBEYMZKOEHPEKN-UHFFFAOYSA-N 298.306 1.022 70 50 CDIA CCc1nccn1CCC(=O)N[C@H](C)Cc1cccnc1 217349812 ZVKITJWEGKTRQY-CYBMUJFWSA-N 286.379 1.978 70 50 CDIA CC[C@H](NC(=O)c1cnoc1C)c1cn2cccnc2n1 217057361 BVHUEQRMOHAXNB-NSHDSACASA-N 285.307 1.907 70 50 CDIA CCc1ncnc(NCC2CCN(C(C)=O)CC2)c1F 159365573 QBNLHLHMCGZCIW-UHFFFAOYSA-N 280.347 1.849 70 50 CDIA C[C@H](c1cccc([N+](=O)[O-])c1)N(C)S(=O)(=O)F 1875373713 LRDISISUBDSOCI-SSDOTTSWSA-N 262.262 1.802 70 50 CDIA Nc1cc(=O)n(C(=O)c2ccc(F)c(F)c2F)o1 216629876 HUDGRUOCZMRMOU-UHFFFAOYSA-N 258.155 1.129 70 50 CDIA Cc1cccc(C(=O)N2CCc3nc(C)[nH]c(=O)c3CC2)n1 217604539 RROROXAQDBCZRI-UHFFFAOYSA-N 298.346 1.023 70 50 CDIA O=C(NC1(CO)CC1)c1cnc(-c2ccccn2)s1 160205564 NQZFXSCBEYQKRF-UHFFFAOYSA-N 275.333 1.460 70 50 CDIA CC1(NS(=O)(=O)c2ccc3c(c2)CCO3)CCOCC1 161066167 XSVSRDLOHXNSOD-UHFFFAOYSA-N 297.376 1.469 70 50 CDIA C[C@@H](NC(=O)c1cc(F)cc(Cl)c1)c1n[nH]c(=O)[nH]1 216963911 ZOIDALHEQDUAIJ-RXMQYKEDSA-N 284.678 1.382 70 50 CDIA CNC[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 161277368 XMONNQXKGBKPON-MRZGDXHCSA-N 287.363 1.009 70 50 CDIA COC(=O)c1ccc(Cl)cc1S(=O)(=O)F 238855441 RUJDNRSOQOOQDW-UHFFFAOYSA-N 252.650 1.785 70 50 CDIA Cc1nc(O)nc(C)c1CCC(=O)NC[C@H]1CCCCO1 217671847 IBKVXOMITJCXPL-GFCCVEGCSA-N 293.367 1.417 70 50 CDIA CC(=O)N1CC(Nc2ccc(O)c3ncccc23)=CC1=O 218561345 SOGHWOMAMDISSM-UHFFFAOYSA-N 283.287 1.625 70 50 CDIA Cc1cc2c(c(=O)[nH]1)[C@H](c1c(C)nn(C)c1C)CC(=O)O2 218273444 KLHNNJJNDKCVKN-JTQLQIEISA-N 287.319 1.475 70 50 CDIA Cc1ncsc1CCNC(=O)c1cc(CO)ccn1 217747999 YUJDMNMLPMASGT-UHFFFAOYSA-N 277.349 1.311 70 50 CDIA Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2cccnc2)o1 217704727 ABYKOSWPODEUAL-SNVBAGLBSA-N 274.276 1.056 70 50 CDIA biogenic Cc1cc(C)nc(NCC(=O)NCCc2ccccn2)n1 218468544 YUAASXFXCKKMDC-UHFFFAOYSA-N 285.351 1.259 70 50 CDIA C[C@@H](CNC(=O)OCc1ccccc1)S(=O)(=O)F 1775955075 NXAQSVWDTPHMEK-VIFPVBQESA-N 275.301 1.601 70 50 CDIA O=C(CCCOCc1ccccc1)N[C@@H]1CCOC[C@H]1O 218266124 HOAPDXFRSXORBW-HUUCEWRRSA-N 293.363 1.249 70 50 CDIA Cc1nonc1CC(=O)N(C)[C@H](C)c1ccon1 216981923 IZMNZWNWDAXPOF-MRVPVSSYSA-N 250.258 1.128 70 50 CDIA Cn1c(C2CN(S(=O)(=O)F)C2)nc2ccccc21 1875375032 OQWZVELRHHVFDI-UHFFFAOYSA-N 269.301 1.187 70 50 CDIA C[C@H](Cc1cnccn1)N(C)C(=O)c1ccn(C(F)F)n1 218615243 JOGHIHHMQVXBKX-SECBINFHSA-N 295.293 1.771 70 50 CDIA Nc1ccc(OS(=O)(=O)F)cc1OC(F)(F)F 1875389982 BXJYYLLJEXMBRB-UHFFFAOYSA-N 275.179 1.761 70 50 CDIA O=C(CCc1cccnc1)NCCC[C@H]1CCOC1 218376204 BDCYPNRLDCBGDT-AWEZNQCLSA-N 262.353 1.947 70 50 CDIA CC(C)(C)n1ccc(C(=O)NCCN2CCC(O)CC2)c1 218214070 BKPXZSHXZOLXCF-UHFFFAOYSA-N 293.411 1.430 70 50 CDIA Cc1nc2ccc(CNC(=O)CCCn3cncn3)cc2[nH]1 217018424 POODINPAZZDGSW-UHFFFAOYSA-N 298.350 1.559 70 50 CDIA OCCN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 161133515 ALJYYNZKMXDANZ-RYUDHWBXSA-N 275.270 1.805 70 50 CDIA O=S(=O)(F)N1CCOC[C@@H]1c1nc2ccccc2o1 1875374866 HWBFJJFQLKGPAZ-SECBINFHSA-N 286.284 1.415 70 50 CDIA C[C@H](Sc1ccccn1)C(=O)NCCc1cn[nH]c1 217783226 GJEPQZLKDMQVPF-JTQLQIEISA-N 276.365 1.644 70 50 CDIA COc1cc(OC)cc(OS(=O)(=O)C(F)(F)F)c1 100400260 XCOBIQQRDHVTAN-UHFFFAOYSA-N 286.227 1.932 70 50 CDIA CN(CC1(CO)CCOCC1)C(=O)c1ccc(F)c(F)c1 218701303 ZFECXCXXJWHKDP-UHFFFAOYSA-N 299.317 1.826 70 50 CDIA CN1CCN(C(=O)c2ccnnc2)C[C@H]1c1ccccc1 217201780 FLOYISCBJRIPFH-HNNXBMFYSA-N 282.347 1.606 70 50 CDIA O=C(NCCc1cn[nH]c1)[C@@H](O)c1ccc(Cl)cc1 217188237 YQRYHNBCQRJRAS-LBPRGKRZSA-N 279.727 1.455 70 50 CDIA CSCC[C@@H](CO)NC(=O)c1cc(CC(C)C)nn1C 218167218 NSXNXKVDNYSCGH-NSHDSACASA-N 299.440 1.462 70 50 CDIA Cc1ccccc1[C@H]1CN(C(=O)[C@@H](C)N)[C@@H](C)CO1 161468468 PLRGZSFEYXQAFO-OUCADQQQSA-N 262.353 1.631 70 50 CDIA O=C(NC[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc[nH]1 218350428 ZCJCUWSVXQMTPP-LBPRGKRZSA-N 283.331 1.798 70 50 CDIA Cc1nc(CCNC(=O)[C@@H]2CCCO2)nc2c1CCCC2 218296861 UCSLSEATVGOJNT-AWEZNQCLSA-N 289.379 1.502 70 50 CDIA C[C@@H](CCc1ccccc1F)C(=O)N1CC[C@@H](N)C1 160215967 RHMIDRRDVYGPCD-WCQYABFASA-N 264.344 1.954 70 50 CDIA C[C@@H]1CN(c2ccccc2)CCN1C(=O)Cc1cnccn1 217700945 WXAWCKAMRYIUGS-CQSZACIVSA-N 296.374 1.756 70 50 CDIA C[C@@H](NC(=O)c1cnc[nH]1)c1nc(-c2cccnc2)no1 218185372 QRASYMZSCXZBJN-MRVPVSSYSA-N 284.279 1.346 70 50 CDIA O=S(=O)(Cl)CCCCCS(=O)(=O)Cl 220606445 YRBJZWHYOKBNSO-UHFFFAOYSA-N 269.171 1.294 70 50 CDIA CC[C@@H](O)c1cc2n(n1)CCN(c1nccnc1OC)C2 218260477 KJASIZOEUIUKTA-GFCCVEGCSA-N 289.339 1.145 70 50 CDIA O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CC(O)C1 161443851 UDGBZOCHZYPXBL-CQSZACIVSA-N 277.320 1.061 70 50 CDIA COc1cccc2c1OCCCN(C(=O)c1cnc[nH]1)C2 217589900 UAOFPIFTZVOZOB-UHFFFAOYSA-N 287.319 1.843 70 50 CDIA COc1coc(C(=O)N(C)Cc2ccccc2)cc1=O 218477722 MKOWGRNPFKKRHZ-UHFFFAOYSA-N 273.288 1.921 70 50 CDIA O=C1CC[C@@H](c2ccc(OS(=O)(=O)F)cc2)N1 1875374508 UIJIKYIWROHSRJ-VIFPVBQESA-N 259.258 1.231 70 50 CDIA Cc1cc(CC(=O)N[C@H](c2nccn2C)C2CC2)on1 218573273 RZNMBNNSVPHQAZ-ZDUSSCGKSA-N 274.324 1.527 70 50 CDIA O=S(=O)(F)Oc1ccccc1NC1CCOCC1 1875389898 KSMFPKFTBJRIJQ-UHFFFAOYSA-N 275.301 1.871 70 50 CDIA COc1ccc2c(c1)OCCN(S(=O)(=O)F)C2 1875373592 HHXVKDPJDSTWNW-UHFFFAOYSA-N 261.274 1.104 70 50 CDIA CC(C)[C@@H](CO)NC(=O)c1cc(-c2ccsc2)[nH]n1 218216768 QRZNCIIWGCCQLP-GFCCVEGCSA-N 279.365 1.885 70 50 CDIA CC(C)N1CC[C@@H](CNC(=O)CCc2cccnc2)C1 218744003 ZSTRFWGNIXCNPC-HNNXBMFYSA-N 275.396 1.861 70 50 CDIA Cc1cc(CNC(=O)CCCn2nc(C)cc2C)on1 218347520 RQKPIYDPKSGCBZ-UHFFFAOYSA-N 276.340 1.893 70 50 CDIA Cc1noc(C)c1C(=O)N1CCO[C@H](c2cccnc2)C1 218351945 ACROASPEWYXPBR-ZDUSSCGKSA-N 287.319 1.900 70 50 CDIA Cc1cc(NC(=O)COc2c(C)nn(C)c2C)[nH]n1 160863473 BYNMOLQIRNMSQV-UHFFFAOYSA-N 263.301 1.086 70 50 CDIA NC[C@H]1CCCN1C(=O)Cc1cc2ccccc2[nH]c1=O 160320803 FMQNTOJHRXUEIL-CYBMUJFWSA-N 285.347 1.020 70 50 CDIA CC(C)(C)OC(=O)N1CC[C@@H]1CCS(=O)(=O)F 2325904024 GRXSPTXWYRQUAA-MRVPVSSYSA-N 267.322 1.685 70 50 CDIA CC(C)CNC(=O)CC1CCN(S(=O)(=O)F)CC1 1875376223 PICLHRVFXSKUGU-UHFFFAOYSA-N 280.365 1.075 70 50 CDIA Cc1cc(CC(=O)NC[C@H]2CCN(C3CCCC3)C2)on1 218425809 UIWFAEGIBJJWKC-CYBMUJFWSA-N 291.395 1.906 70 50 CDIA N[C@@H]1CCN(C(=O)COc2cc(Cl)cc(Cl)c2)C1 160238201 ZGGGNHFRYOBBAG-SNVBAGLBSA-N 289.162 1.932 70 50 CDIA CN1CCN(Cc2cccc([B-](F)(F)F)c2)CC1 169808425 HYPNQUMXIMFAOR-UHFFFAOYSA-N 257.088 1.488 70 50 CDIA CCN1CCC[C@H]1CNC(=O)c1cc(-c2ccncc2)n[nH]1 218292248 RYNWQHNJSNXTGI-ZDUSSCGKSA-N 299.378 1.686 70 50 CDIA O=C1CC[C@@H](Cc2cccc(OS(=O)(=O)F)c2)O1 1875374329 KORFMXFCEANLRT-VIFPVBQESA-N 274.269 1.528 70 50 CDIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccnc2ccccc12 218411324 OTMCUYYCIUHAFX-LBPRGKRZSA-N 296.330 1.567 70 50 CDIA Cc1ccc(O)c(CN2CCn3nc([C@H](C)O)cc3C2)n1 217919999 FHERBPBMJVMOPH-NSHDSACASA-N 288.351 1.361 70 50 CDIA Nc1[nH]nc(C(=O)NCCc2ccncc2)c1Cl 217506769 YGTWHNGEOBXVJX-UHFFFAOYSA-N 265.704 1.013 70 50 CDIA C[C@H](O)c1cc2n(n1)CCN(Cc1cc(C3CC3)on1)C2 217059277 XYBPHRUYJQVLDJ-JTQLQIEISA-N 288.351 1.818 70 50 CDIA CC1(C)OC[C@H](CN=C=NC[C@@H]2COC(C)(C)O2)O1 16605390 QHHHYLFZGYIBCX-PHIMTYICSA-N 270.329 1.463 70 50 CDIA CNC[C@H]1CCCN1C(=O)c1cn(-c2cccc(C)c2)nn1 161256638 LOCKKASIEFTAFU-CQSZACIVSA-N 299.378 1.400 70 50 CDIA CN(C(=O)c1cncc(OS(=O)(=O)F)c1)C(C)(C)C 1875383881 BTWUBSHYQYCDFH-UHFFFAOYSA-N 290.316 1.545 70 50 CDIA NC(=O)[C@H]1CCCN1Cc1cc(-c2ccccc2)[nH]n1 160375189 FWTRYPYXADSPDS-CQSZACIVSA-N 270.336 1.526 70 50 CDIA Cc1nc(NC(=O)c2ccc(=O)n(C)n2)cc(C2CC2)n1 160104438 ZOLDUNPCRARVNL-UHFFFAOYSA-N 285.307 1.008 70 50 CDIA Cc1ccn(CCC(=O)N(Cc2cnn(C)c2)C2CC2)n1 218780392 BBTBTOYJMIUDFN-UHFFFAOYSA-N 287.367 1.506 70 50 CDIA O=C1CCC2(CCN(C(=O)c3ccc(F)cc3F)CC2)N1 217363327 JNKFDVOBOJAIEP-UHFFFAOYSA-N 294.301 1.850 70 50 CDIA COC(=O)c1ccc(S(=O)(=O)F)c(Cl)c1 238850693 CPQRBWWUPYSIFW-UHFFFAOYSA-N 252.650 1.785 70 50 CDIA OCCN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 161133632 ALJYYNZKMXDANZ-NWDGAFQWSA-N 275.270 1.805 70 50 CDIA COC(=O)[C@H]1CCCc2cc(OS(=O)(=O)F)ccc21 1875374467 RPHOYONNAACNHN-NSHDSACASA-N 288.296 1.873 70 50 CDIA CCSc1ccc(C(=O)N[C@H](C)c2n[nH]c(=O)[nH]2)s1 217699566 VZCZMBXXUJLWLM-ZCFIWIBFSA-N 298.393 1.763 70 50 CDIA CCn1nc(C)cc1C(=O)NCc1nnc2ccccn12 218318353 ZIOVPJONTQEVGL-UHFFFAOYSA-N 284.323 1.184 70 50 CDIA CN1CCC[C@@H]1CCN1CCN(c2cccc(O)c2)CC1 161318576 GBGCWCGWDHNHCR-OAHLLOKOSA-N 289.423 1.999 70 50 CDIA O=C(CN1Cc2ccccc2C1=O)NCCc1ccccn1 218616526 XLNUBJITOKAARU-UHFFFAOYSA-N 295.342 1.396 70 50 CDIA C[C@H]1C(=O)NCCN1Cc1ncc(-c2ccccc2F)o1 160353828 MHCUXUGCLCCKQJ-JTQLQIEISA-N 289.310 1.801 70 50 CDIA Cc1c[nH]c(C(=O)NCCNc2ccncc2C)n1 218315248 DLXZOVFQBKMCHF-UHFFFAOYSA-N 259.313 1.263 70 50 CDIA Cc1cnccc1NCCNC(=O)[C@H]1CCC[C@@H](O)C1 218513436 YOOUGEYIVWATGP-QWHCGFSZSA-N 277.368 1.469 70 50 CDIA CO[C@@H]1COCC[C@H]1NC(=O)c1cccc(F)c1 218582013 RLGVQLBMLDELDW-VXGBXAGGSA-N 253.273 1.359 70 50 CDIA CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)F)cc1F 675063178 LZCQGHQDAHOEJY-UHFFFAOYSA-N 299.320 1.634 70 50 CDIA CC(=O)Nc1c(C)ccc(OS(=O)(=O)F)c1C 1875374367 MASQKIQTSRPMTF-UHFFFAOYSA-N 261.274 1.855 70 50 CDIA COc1cc2c(cc1C)CN(S(=O)(=O)F)CC2 1875373883 SOZUOVGBHYGGMB-UHFFFAOYSA-N 259.302 1.576 70 50 CDIA Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1ccc(CO)o1 217158910 VDALBLQZNRGAIZ-ZETCQYMHSA-N 263.297 1.603 70 50 CDIA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(C)nc1 217998650 BFOMRVDHXYKGJD-CHWSQXEVSA-N 264.325 1.314 70 50 CDIA Cc1nnc(SCCNC(=O)c2cnccn2)s1 218458307 UZWSYGDSKJXHPR-UHFFFAOYSA-N 281.366 1.159 70 50 CDIA CC[C@H](NC(=O)CCCN1CCOCC1)c1nc(C)no1 218750201 NMFHTJWLFVRTPR-LBPRGKRZSA-N 296.371 1.058 70 50 CDIA COc1ccnc(C(=O)N(C)Cc2cccnc2)c1 218136804 IERUPMSAULYZGT-UHFFFAOYSA-N 257.293 1.757 70 50 CDIA Cc1cccc(C(=O)NC[C@@H](C)Oc2cccnc2)n1 218220747 JEVSBVSKOOMWJC-GFCCVEGCSA-N 271.320 1.982 70 50 CDIA CC(=O)c1ccc2c(c1O)[C@H](c1cnn(C)c1)CC(=O)O2 218142516 OCJOUVWYSNTAAJ-NSHDSACASA-N 286.287 1.769 70 50 CDIA CC(C)c1nocc1CN1CCN(S(=O)(=O)F)CC1 1875373710 LKUVXPBTVCAQKB-UHFFFAOYSA-N 291.348 1.130 70 50 CDIA N#Cc1ccc(S(=O)(=O)F)c(Br)c1 238851160 FNXGDGSCGDKJKD-UHFFFAOYSA-N 264.075 1.979 70 50 CDIA CC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(F)c(O)c1 218247207 BLARPXXWWOODCD-LLVKDONJSA-N 280.299 1.224 70 50 CDIA Cc1nn(C)c(C)c1C(=O)N1CCC[C@@H](c2nnc[nH]2)C1 218582387 KLZKESOUFHETBC-LLVKDONJSA-N 288.355 1.175 70 50 CDIA CC(C)n1cc(S(=O)(=O)NC2(C)CCOCC2)cn1 160994762 SBJLJVFAOFFDBF-UHFFFAOYSA-N 287.385 1.311 70 50 CDIA C/C=C(\C)CN1CCCn2nc([C@H](O)CO)cc2C1 216907479 PPWOCPDIYYXMTQ-ADLJWPQSSA-N 265.357 1.081 70 50 CDIA CC(C)c1nc(NC(=O)c2cc(-c3ccccn3)n[nH]2)n[nH]1 218541113 QPLMXXMMTPZZBQ-UHFFFAOYSA-N 297.322 1.966 70 50 CDIA Cc1cc(=O)cc(C(=O)NCCc2cccnc2)o1 217377035 DIPRCIBNLSETMM-UHFFFAOYSA-N 258.277 1.316 70 50 CDIA CN1CCC[C@@H](CN(C)C(=O)c2ccncc2O)C1 217919191 BINWYKLDHQJBKC-LLVKDONJSA-N 263.341 1.201 70 50 CDIA Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2ccncc2)o1 217663599 MHVWWFHGRIEVIX-JTQLQIEISA-N 274.276 1.056 70 50 CDIA biogenic COCC[C@@H]1CN(C(=O)Cc2cccc(O)c2)CCO1 218536815 AIYPRRMRRJGNJX-CQSZACIVSA-N 279.336 1.199 70 50 CDIA Cc1n[nH]c(C)c1CNC(=O)CN(C)Cc1cccnc1 217690431 NIEINQGZQASILU-UHFFFAOYSA-N 287.367 1.170 70 50 CDIA Cn1cccc1C(=O)NCCCCCN1CCOCC1 218210714 MSEQJVGEXHREBI-UHFFFAOYSA-N 279.384 1.257 70 50 CDIA CC[C@@H]1[C@@H](NC(=O)c2cc(=O)cc(C)o2)[C@@H]2CCO[C@@H]21 218343213 DCJWLTNMTFXZGP-ZMJPVWNMSA-N 277.320 1.492 70 50 CDIA C[C@@H](Cc1cccnc1)NC(=O)c1ccc(N)nc1 217530597 BCCKTSCCZPLDSA-JTQLQIEISA-N 256.309 1.420 70 50 CDIA C[C@@H](O)c1cc2n(n1)CCN(Cc1cc(C3CC3)on1)C2 217059250 XYBPHRUYJQVLDJ-SNVBAGLBSA-N 288.351 1.818 70 50 CDIA O=C1[C@@H]2CCCC[C@H]2C(=O)N1C[C@@H](O)c1ccccc1 218769294 WUARPIAFAGPMQQ-MGPQQGTHSA-N 273.332 1.895 70 50 CDIA Cc1cc(C[C@@H](C)NC(=O)Cn2cnc3ccccc32)[nH]n1 218664477 NILYTJRHPIAZRS-LLVKDONJSA-N 297.362 1.815 70 50 CDIA CCOCCC(=O)N1CC(Oc2ccc(F)cc2)C1 218202360 NEZJMMWXXZGGLF-UHFFFAOYSA-N 267.300 1.842 70 50 CDIA O=C(NCCCc1ncc[nH]1)[C@@H](O)c1ccccc1Cl 218287984 PCHXIGRBDDQRGI-ZDUSSCGKSA-N 293.754 1.846 70 50 CDIA O=C1CCN(C(=O)[C@@H]2CCc3ccccc3C2)CCN1 217540220 MNSMVNNHCLGPKJ-CQSZACIVSA-N 272.348 1.140 70 50 CDIA Cc1noc(C)c1CCC(=O)N[C@@H]1C[C@@H]2OCC[C@@H]21 218705426 LZTNEZKVIUAZDO-UPJWGTAASA-N 264.325 1.518 70 50 CDIA COC(=O)C[C@@H](c1c(O)c(C(=O)OC)c[nH]c1=O)C(C)C 218037433 UOLFYGFZPBXVDZ-MRVPVSSYSA-N 297.307 1.170 70 50 CDIA biogenic COc1ccc(Cl)cc1C(=O)NCCn1cncn1 218667913 NZNWSFBTGCRXAG-UHFFFAOYSA-N 280.715 1.370 70 50 CDIA O=C(N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1)c1cc[nH]n1 218391904 GZSSSCIRSNMWQX-GHYVTOPFSA-N 275.352 1.733 70 50 CDIA CC(C)[C@@H](O)C1CCN(C(=O)c2cccc(N)n2)CC1 217988037 HWRIKUNFZDMBSK-CQSZACIVSA-N 277.368 1.533 70 50 CDIA O=C(O)c1cc(S(=O)(=O)Cl)c(Cl)cc1O 77285656 CRNODOIWKMVMLY-UHFFFAOYSA-N 271.077 1.671 70 50 CDIA in-vitro O=C(NCCn1cc(Cl)cn1)c1ncc(F)cc1F 218623831 WPTFBWUKKZYDSO-UHFFFAOYSA-N 286.669 1.640 70 50 CDIA O=C(c1cccc(Cl)c1)N1CC(S(=O)(=O)F)C1 675065615 LIVLGYRDKSCECA-UHFFFAOYSA-N 277.704 1.464 70 50 CDIA Cc1cc(CC(=O)NCc2snnc2C)on1 218009461 VXWGBWOSPFBHLT-UHFFFAOYSA-N 252.299 1.002 70 50 CDIA NC[C@H]1CCCN1C(=O)CCc1nncn1-c1ccccc1 160332541 JKLLJKJFQWUMOQ-CQSZACIVSA-N 299.378 1.150 70 50 CDIA O=c1[nH]c2cc3c(cc2cc1CN1CCOCC1)OCO3 218050529 UPFGTGWAJFVYAQ-UHFFFAOYSA-N 288.303 1.089 70 50 CDIA biogenic CCc1ncc(NC(=O)NCCn2ccnc2)cn1 161190218 GTOHWUVXHXGQCU-UHFFFAOYSA-N 260.301 1.057 70 50 CDIA COc1ccnc(C(=O)N2C[C@H]3CC[C@@H](C2)N(C)C3)c1 218102713 VRIXKXGEVCZNIC-RYUDHWBXSA-N 275.352 1.256 70 50 CDIA CN(Cc1ccon1)C(=O)c1ncc(F)cc1F 217456765 HNOWIZUGVLEQFI-UHFFFAOYSA-N 253.208 1.620 70 50 CDIA CCn1nc(C)c([C@H](C)NC(=O)CN2CCOCC2)c1C 218293668 CWORJCVHJCRLKE-NSHDSACASA-N 294.399 1.029 70 50 CDIA COCCn1cncc1CNC(=O)c1cc(C)oc1C 218761620 AAONSMHCJPCOCA-UHFFFAOYSA-N 277.324 1.669 70 50 CDIA C[C@H]1CN(c2ccccc2)CCN1C(=O)Cc1cnccn1 217701040 WXAWCKAMRYIUGS-AWEZNQCLSA-N 296.374 1.756 70 50 CDIA Cc1cc(C(=O)NCCc2scnc2C)cc(=O)[nH]1 217205556 MLMNDLCXSMXLLT-UHFFFAOYSA-N 277.349 1.421 70 50 CDIA O[C@@H]1COCC[C@H]1NC1CCN(C2CCCC2)CC1 218118920 QNALVYRXWXXZLJ-HUUCEWRRSA-N 268.401 1.133 70 50 CDIA O=C(c1ccccc1)N1CCC[C@@H](CS(=O)(=O)F)C1 521397008 GXSJJNSQYRGIAZ-LLVKDONJSA-N 285.340 1.838 70 50 CDIA CN(CCc1ccncc1)C(=O)c1cccc(N)n1 217865347 NYPRUMCGUOKXLI-UHFFFAOYSA-N 256.309 1.374 70 50 CDIA N[C@@H]1CCN(C(=O)CCCOc2ccc(F)cc2F)C1 160189241 UYFSVTGYNXWPIR-LLVKDONJSA-N 284.306 1.683 70 50 CDIA O=S(=O)(F)Oc1ccc(Oc2ncccn2)cc1 1875378665 AHBCHLXJEDLJET-UHFFFAOYSA-N 270.241 1.862 70 50 CDIA CSc1ncccc1C(=O)N1C[C@@H]2CC[C@H](C1)[C@@H]2O 217769680 HLHGCHQVKHUYAP-IAZYJMLFSA-N 278.377 1.646 70 50 CDIA COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1S(=O)(=O)F 1875368272 FKOZCZNEVZPWBY-MNOVXSKESA-N 293.360 1.645 70 50 CDIA CC(=O)Nc1cccc2c1CCN(S(=O)(=O)F)C2 1875370376 MMTVZMPKWWPMFT-UHFFFAOYSA-N 272.301 1.217 70 50 CDIA COC(=O)c1cc(S(=O)(=O)Cl)ccc1F 59104250 OIQQZWQRLDURLP-UHFFFAOYSA-N 252.650 1.540 70 50 CDIA in-vitro Nc1[nH]nc(C(=O)NCCc2cn[nH]c2)c1-c1ccccc1 217214218 NBEMCQOKTGYSDE-UHFFFAOYSA-N 296.334 1.355 70 50 CDIA COc1ccc(CN(C)S(=O)(=O)F)c(OC)c1 1875373913 ULNLEOKTVFFSLP-UHFFFAOYSA-N 263.290 1.350 70 50 CDIA Cc1ncsc1CN1CCCn2nc(CO)cc2C1 217465207 OLWCLUKQHDXJCZ-UHFFFAOYSA-N 278.381 1.546 70 50 CDIA CC[C@@H](Cn1ccnc1)NC(=O)c1c(C)cc(C)[nH]c1=O 217927819 KVOCHSBGMKBJSW-LBPRGKRZSA-N 288.351 1.397 70 50 CDIA O=C1[C@@H]2[C@@H]3CCC[C@]4([C@@H]5C[C@H]5C=C[C@@]324)N1S(=O)(=O)Cl 257358036 RIAGORKKYGEIKN-WJEOCHJQSA-N 299.779 1.673 70 50 CDIA CNC[C@@H]1CCCN1C(=O)Cc1cc(F)ccc1F 161246571 ZBXWEMQQPCGIFC-LBPRGKRZSA-N 268.307 1.718 70 50 CDIA CSCC[C@@H](CO)NC(=O)CCc1cc(Cl)no1 218341685 ZOYAPMNHLFAVOP-QMMMGPOBSA-N 292.788 1.491 70 50 CDIA NC[C@@H]1CCCN1C(=O)/C=C/c1c(F)cccc1F 160201482 AKTNUSGHKAPJOE-FGEFZZPRSA-N 266.291 1.928 70 50 CDIA CC(C)c1nc(CNC(=O)c2n[nH]c3ccccc23)no1 217427352 LETGEPUGCRWIDB-UHFFFAOYSA-N 285.307 1.999 70 50 CDIA Nc1[nH]nc(C(=O)N[C@H]2COC3(CCCC3)C2)c1Cl 218534933 FZOMTNYSIKKNNR-SSDOTTSWSA-N 284.747 1.477 70 50 CDIA O=C(NCCCS(=O)(=O)F)OCc1ccccc1 950757428 BXOVUKGJCSDQLX-UHFFFAOYSA-N 275.301 1.602 70 50 CDIA CC[C@@H](C)N(CCS(=O)(=O)F)Cc1cc(C)nn1C 1875382726 NQURCWGAGYYXQW-LLVKDONJSA-N 291.392 1.628 70 50 CDIA CCNc1nc(C)c(C(=O)NCCc2cn[nH]c2)s1 217391720 PRMKIXZDJCMJRT-UHFFFAOYSA-N 279.369 1.579 70 50 CDIA O=[N+]([O-])c1cc(S(=O)(=O)Cl)cc2c1OCC2 100004488 KFYKLVMQGONPLM-UHFFFAOYSA-N 263.658 1.457 70 50 CDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccncc1Cl 218374649 OFWDXLSZMNBRRF-YGNMPJRFSA-N 296.754 1.515 70 50 CDIA CC(=O)N1CC(Nc2ccc(Cn3cncn3)cc2)=CC1=O 218488201 BOIHREFBTQNELE-UHFFFAOYSA-N 297.318 1.011 70 50 CDIA CC1(C)OB(c2ccc(S(=O)(=O)F)cc2)OC1(C)C 536948667 XHAPVQLJEKERJW-UHFFFAOYSA-N 286.133 1.644 70 50 CDIA COC(=O)c1cc(OS(=O)(=O)F)ccc1N(C)C 1875374416 OZHRECNISFCUIJ-UHFFFAOYSA-N 277.273 1.132 70 50 CDIA C[C@H](CNC(=O)OCc1ccccc1)S(=O)(=O)F 1775955074 NXAQSVWDTPHMEK-SECBINFHSA-N 275.301 1.601 70 50 CDIA CSc1ccccc1C(=O)N[C@@H]1C[C@@H](CO)N(C)C1 218613999 WZROWJDJNCJZMT-MNOVXSKESA-N 280.393 1.203 70 50 CDIA O=C(NCCc1ccncc1)[C@H](O)c1ccc(F)cc1 217164979 HLKBTYOBUUYDFY-CQSZACIVSA-N 274.295 1.613 70 50 CDIA COc1cccc2c(O)c(C(=O)NCCN(C)C)cnc12 218413460 HIPLHQLGHYFBPN-UHFFFAOYSA-N 289.335 1.240 70 50 CDIA O=S(=O)(Cl)Cc1cc(Br)no1 257926723 JYCJLFVEXBSOMP-UHFFFAOYSA-N 260.496 1.506 70 50 CDIA N[C@@H]1CCN(C(=O)c2cccc(OC[C@@H]3CCCO3)c2)C1 160203821 BDRUMZAKXWFQPI-HIFRSBDPSA-N 290.363 1.418 70 50 CDIA CN(Cc1cnccn1)C(=O)Cc1ccc(O)c(F)c1 217139728 ZACJTMBWLOZYEN-UHFFFAOYSA-N 275.283 1.522 70 50 CDIA COc1cc(CCC(=O)N[C@H](CO)c2ccccc2)on1 217888716 GHIACDLQQDCARV-CYBMUJFWSA-N 290.319 1.466 70 50 CDIA biogenic CC1(C)C[C@@H](NC(=O)c2c[nH]nn2)c2ccccc2O1 159857972 GMSQURYETJEDRB-SNVBAGLBSA-N 272.308 1.837 70 50 CDIA N[C@@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)C1 160231354 IJLHATVBWCREKW-CABCVRRESA-N 291.370 1.350 70 50 CDIA CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)F)CC1 259515695 UYAGDJINCUAKSL-UHFFFAOYSA-N 281.349 1.933 70 50 CDIA CCOc1ncccc1CNC(=O)[C@@H]1CCCCO1 160901837 WZNPAQNQVZUNDI-LBPRGKRZSA-N 264.325 1.666 70 50 CDIA Cc1c(N(CCS(=O)(=O)F)CC2(F)CC2)cnn1C 1875382643 KRKBNWZJALHVEQ-UHFFFAOYSA-N 293.339 1.336 70 50 CDIA C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1)c1ccc(C(C)(C)C)cc1 217754133 WEGAQGJCAJBCGM-GLQYFDAESA-N 290.407 1.884 70 50 CDIA CC[C@H](Oc1cccc(C)c1)C(=O)N1CC[C@@H](N)C1 160293445 QNEMBTXPBFNRJI-OCCSQVGLSA-N 262.353 1.712 70 50 CDIA O=S(=O)(Cl)N1CCCC[C@@H]1C(F)(F)F 100587284 HHYSBNILYUIIAS-RXMQYKEDSA-N 251.657 1.887 70 50 CDIA CS(=O)(=O)c1ccccc1S(=O)(=O)Cl 59796813 XPJTUCSESGEMOI-UHFFFAOYSA-N 254.716 1.018 70 50 CDIA CC(=O)N1CC(Nc2ccc3oc(=O)ccc3c2)=CC1=O 218052277 UXLIODIBRRUASL-UHFFFAOYSA-N 284.271 1.478 70 50 CDIA biogenic Cc1cc(C(=O)O)cc(S(=O)(=O)Cl)c1F 100517848 LJWWWHXBINZZCP-UHFFFAOYSA-N 252.650 1.760 70 50 CDIA in-vitro CCN1C[C@H](NC(=O)c2ccc(Cl)s2)[C@@H](OC)C1 218746054 VOUQUTFFERBVHY-IUCAKERBSA-N 288.800 1.850 70 50 CDIA O=C(CCCc1ccc(F)cc1)N[C@@H]1CCOC[C@H]1O 218547582 XHULDJYOOXKKAN-ZIAGYGMSSA-N 281.327 1.414 70 50 CDIA Cc1ccc2ncccc2c1CNC(=O)[C@@H]1CCC(=O)N1 217596970 RFXVYAKSKWEJCX-AWEZNQCLSA-N 283.331 1.438 70 50 CDIA CC(=O)Nc1ccc(OS(=O)(=O)F)c(F)c1 1875374747 ZZMHVIIAKKKNJB-UHFFFAOYSA-N 251.210 1.377 70 50 CDIA CCc1ccc(CN(CCO)Cc2nccn2C)nc1 217990028 SQKPBKMUVRFZNO-UHFFFAOYSA-N 274.368 1.372 70 50 CDIA O=C(c1cc[nH]n1)N1CCC[C@H](Cn2ccnc2)C1 217931029 OEDRUAAHROSSHS-LLVKDONJSA-N 259.313 1.159 70 50 CDIA Cn1nc(CCl)c(S(=O)(=O)Cl)c1Cl 1535640732 XZKABZNMYIIJDE-UHFFFAOYSA-N 263.533 1.740 70 50 CDIA Cc1ccc2[nH]c(C(=O)N[C@@H]3CCOC[C@H]3O)cc2c1 218187367 XURXWSJFTXVHEE-TZMCWYRMSA-N 274.320 1.356 70 50 CDIA CCCc1cc(CN(C)C(=O)[C@H](O)C(C)C)n[nH]1 217405894 CUIVTWGWYGSFRX-GFCCVEGCSA-N 253.346 1.338 70 50 CDIA CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CS(=O)(=O)F)C1 675050594 BUYXYGBEHUIPJB-DTWKUNHWSA-N 281.349 1.979 70 50 CDIA C[C@H]1CN(C(C)(C)CNC(=O)[C@H]2CCCO2)C[C@@H](C)O1 218516898 ZYIVSBNMMMKPAF-FRRDWIJNSA-N 284.400 1.169 70 50 CDIA O=S(=O)(OCC(F)(F)C(F)F)C(F)(F)F 100040072 OSWSZHMBICDPQH-UHFFFAOYSA-N 264.118 1.753 70 50 CDIA CCc1n[nH]c(SCC(=O)N(C)Cc2ccon2)n1 217875625 YIRYKNDMLURDBK-UHFFFAOYSA-N 281.341 1.106 70 50 CDIA CCc1nnc(CNC(=O)Cc2cc(C)no2)s1 218379188 GLCMIJRKGWZOEJ-UHFFFAOYSA-N 266.326 1.256 70 50 CDIA CC(C)CSCCCNC(=O)[C@@H]1CSC(=O)N1 160687224 AQNGDXFSCHCAMC-VIFPVBQESA-N 276.427 1.707 70 50 CDIA CCNC(=O)C(C)(C)CNc1ccc2nccnc2n1 161353653 SHYPIMBFPZLOJY-UHFFFAOYSA-N 273.340 1.599 70 50 CDIA O=S(=O)(F)CCn1nccc1-c1ccncc1 883953070 GMGRAKZDRRJWID-UHFFFAOYSA-N 255.274 1.244 70 50 CDIA COc1cccc(OC2CN(C(=O)[C@@]3(C)CCCO3)C2)c1 218493906 CWDFQVJOJRRBPO-MRXNPFEDSA-N 291.347 1.854 70 50 CDIA CN1C[C@@H](CN(C)C(=O)c2sccc2Cl)CC1=O 217080573 ZZQKWIQJVVSZPX-QMMMGPOBSA-N 286.784 1.952 70 50 CDIA O=S1(=O)C[C@@H](S(=O)(=O)Cl)c2ccccc21 59305960 JBUKOSFZXFIOAW-MRVPVSSYSA-N 266.727 1.084 70 50 CDIA in-vitro CCCN(C[C@H]1CCCO1)C(=O)c1cc(C)[nH]c(=O)c1 217421166 LJCGESLARWXXIC-CYBMUJFWSA-N 278.352 1.715 70 50 CDIA C[C@@H](N)C(=O)NCc1cc2cc(Cl)ccc2[nH]1 218121524 RPCQHQZNPFUVHR-SSDOTTSWSA-N 251.717 1.785 70 50 CDIA Cn1nccc1CCNC(=O)c1cc2ccccc2n1C 217966965 RHPVHIIHDVOAKF-UHFFFAOYSA-N 282.347 1.884 70 50 CDIA Cc1cc2c(cc1S(=O)(=O)Cl)NC(=O)CO2 100018240 XYHQQBUPFYZCTB-UHFFFAOYSA-N 261.686 1.253 70 50 CDIA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)Cn1ccc(=O)cc1 218007650 TWFZTQVQXIVHEQ-SECBINFHSA-N 274.324 1.066 70 50 CDIA CSCC[C@H](O)C(=O)NCc1cc(CC(C)C)no1 218742813 CQVRODXWZKSODR-LBPRGKRZSA-N 286.397 1.603 70 50 CDIA CC(C)c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2)cc1 217830348 CLARUPUMSWGCBT-GLQYFDAESA-N 276.380 1.710 70 50 CDIA COc1ccc(OS(=O)(=O)F)cc1[N+](=O)[O-] 1875374258 HONHQFVHIQCYEE-UHFFFAOYSA-N 251.191 1.197 70 50 CDIA COc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-] 100011434 PWYNJONRUFAOFG-UHFFFAOYSA-N 251.647 1.531 70 50 CDIA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1ccc2[nH]nnc2c1 217172076 ADGLSZPQEWXFQR-SSDOTTSWSA-N 284.323 1.789 70 50 CDIA CC[C@@H](NC(=O)CCCN1CCOCC1)c1nc(C)no1 218750159 NMFHTJWLFVRTPR-GFCCVEGCSA-N 296.371 1.058 70 50 CDIA COCc1nc2n(n1)C[C@@H](Nc1nc3ccccc3o1)CC2 161352669 WWHFUZXJEPUYID-JTQLQIEISA-N 299.334 1.993 70 50 CDIA Cc1n[nH]c(C)c1CCN(C)C(=O)c1cccn1C 217165555 MYXKAHMFMHAIBL-UHFFFAOYSA-N 260.341 1.680 70 50 CDIA CC(=O)N1CC(Nc2cccc([C@@H](C)O)c2)=CC1=O 217995237 IOOVCVVRAYMRPB-SECBINFHSA-N 260.293 1.424 70 50 CDIA biogenic Cn1cnc(-c2ccc(OS(=O)(=O)F)cc2)n1 1875374334 KSNKRBFAHSTICA-UHFFFAOYSA-N 257.246 1.075 70 50 CDIA O=C(N[C@@H]1CCOC[C@H]1O)c1ccc(N2CCCC2)cc1 218275175 ZRAAYPLKQLDFAW-HUUCEWRRSA-N 290.363 1.166 70 50 CDIA Cc1cc(C[C@@H](C)NC(=O)c2c(C)noc2C)n[nH]1 161255270 KGKHJCRPTKAMTM-SSDOTTSWSA-N 262.313 1.684 70 50 CDIA C[Si](C)(C)c1ccncc1OS(=O)(=O)C(F)(F)F 169794822 HJIBLRJECSPWKZ-UHFFFAOYSA-N 299.346 1.855 70 50 CDIA Cn1cc(-c2ccc(OS(=O)(=O)F)cc2)cn1 1875374211 FTZSXFKSZKMGMT-UHFFFAOYSA-N 256.258 1.680 70 50 CDIA CNCCN(C)C(=O)c1ccc(SCCO)cc1 218003245 KKGFPEZZCSBILI-UHFFFAOYSA-N 268.382 1.062 70 50 CDIA C[C@H](C(=O)N(C)Cc1ncc[nH]1)c1ccc(O)cc1 217687916 LTANMSRDMKCZLG-JTQLQIEISA-N 259.309 1.877 70 50 CDIA O=C(O)c1cc(S(=O)(=O)F)c(Br)s1 238855264 RBXUGCWTJMZCBD-UHFFFAOYSA-N 289.103 1.867 70 50 CDIA O=C1CCCN1CCc1ccc(S(=O)(=O)Cl)cc1 100647133 OWXSEHBZLVVXLE-UHFFFAOYSA-N 287.768 1.779 70 50 CDIA CN1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1c1ccccc1 217126572 HTBZPPFHEXTFES-OAHLLOKOSA-N 284.363 1.468 70 50 CDIA COc1ccccc1C[C@@H](C)N(C)S(=O)(=O)F 1875374901 JAAWHAHMKVNBJX-SECBINFHSA-N 261.318 1.772 70 50 CDIA CCN(CC)CCCNc1cc(C2CC(N)C2)nc(N)n1 218260632 YQHMBYCAOWFJSP-UHFFFAOYSA-N 292.431 1.407 70 50 CDIA COc1ccc(CN2C(=O)CC[C@@H]3CNCC[C@@H]32)cc1 159975719 DFXFPZSZUGMODA-HIFRSBDPSA-N 274.364 1.796 70 50 CDIA Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2ccco2)o1 217723936 RXTVAUCYKMHVEN-QMMMGPOBSA-N 263.249 1.254 70 50 CDIA biogenic COc1ccc([C@@H]2C[C@H](C)N(C(=O)[C@@H](C)N)C2)cc1 161311618 QNQAVPCXMIRZSD-DMDPSCGWSA-N 262.353 1.747 70 50 CDIA Cc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)N)[C@H](C)CO1 161468122 PLRGZSFEYXQAFO-BZPMIXESSA-N 262.353 1.631 70 50 CDIA CC(=O)Nc1nc(C)c(S(=O)(=O)Cl)s1 95736167 NXGKPRKPUCSEIL-UHFFFAOYSA-N 254.720 1.337 70 50 CDIA in-vitro Cc1n[nH]c([C@H]2CCCN2C(=O)CN2CCCCCC2)n1 216914678 JWZVCUYJAVSGEQ-CYBMUJFWSA-N 291.399 1.653 70 50 CDIA CN(CCC1CCOCC1)C(=O)[C@H](N)Cc1ccccc1 161403198 HOJXUQFRKGQIRV-MRXNPFEDSA-N 290.407 1.832 70 50 CDIA CCc1nccn1CCC(=O)NCc1cnn2cccnc12 217126030 DFUNIXAESANTEX-UHFFFAOYSA-N 298.350 1.195 70 50 CDIA O=C1[C@@H]2[C@@H]3CCC[C@]4([C@@H]5C[C@H]5C=C[C@]324)N1S(=O)(=O)Cl 257358035 RIAGORKKYGEIKN-VUPKHAIFSA-N 299.779 1.673 70 50 CDIA CC(=O)N1CC(Nc2ccc3nc(C)cc(O)c3c2)=CC1=O 218609878 WRHJVKDXWFMJIE-UHFFFAOYSA-N 297.314 1.933 70 50 CDIA COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)F 675066634 SWYNTVOZSFGUQU-UHFFFAOYSA-N 261.274 1.055 70 50 CDIA O=S(=O)(F)N1CCC[C@@H](Cn2cnc3ccccc32)C1 1875373995 XFFVUVXDFBGOJM-NSHDSACASA-N 297.355 1.963 70 50 CDIA CC[C@H](NC(=O)c1cnn(C)c1)c1c(C)noc1C 160326473 DMDUIXQWOFPBQR-NSHDSACASA-N 262.313 1.906 70 50 CDIA CN(C)[C@@H]1[C@@H](NC(=O)c2cccn2C2CC2)[C@H]2CCO[C@H]21 218468939 UDZLYIOHOZWOBP-FAAHXZRKSA-N 289.379 1.270 70 50 CDIA Cc1[nH]c2ccccc2c1CCNC(=O)c1cc(N)[nH]n1 217372083 LCVDDLLWIBEHNK-UHFFFAOYSA-N 283.335 1.754 70 50 CDIA C[C@H](Cc1cccnc1)NC(=O)c1cc(Cl)c[nH]c1=O 217866090 OMMSUEWIYRZYKR-SECBINFHSA-N 291.738 1.784 70 50 CDIA CSCCCN1CCN(Cc2ccccc2)C[C@@H](O)C1 217017604 FMIUBDJFHMPITD-INIZCTEOSA-N 294.464 1.918 70 50 CDIA Cc1cc(C(=O)NCc2nc(-c3cnccn3)n[nH]2)c(C)o1 217172552 ATEWKDKYHDNIGK-UHFFFAOYSA-N 298.306 1.402 70 50 CDIA O=C(c1ccccc1OCC1CC1)N1CCNCC1 159402059 RHPGRHOBAMQJHZ-UHFFFAOYSA-N 260.337 1.521 70 50 CDIA COC(=O)N1CCCC[C@@H]1C(=O)NCc1snnc1C 218734515 OGWJUPQYWNSAAW-SECBINFHSA-N 298.368 1.084 70 50 CDIA CC(C)c1nc(NC(=O)c2cc(-c3ccncc3)n[nH]2)n[nH]1 218595865 ZFTUUCRZSLYLTB-UHFFFAOYSA-N 297.322 1.966 70 50 CDIA COCC1(CNC(=O)Cn2ccnc2)CCCC1 218144685 BURBAGJYMREKNB-UHFFFAOYSA-N 251.330 1.206 70 50 CDIA O=C(c1ccncc1O)N1CCC[C@@H](Cn2ccnc2)C1 218671530 UJBDTPKAHPDGJW-LBPRGKRZSA-N 286.335 1.536 70 50 CDIA CC[C@@H](Cn1ccnc1)NC(=O)c1nn(C)c2ccccc12 218255774 ACPYQVZKCJQHMN-LBPRGKRZSA-N 297.362 1.978 70 50 CDIA CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CS(=O)(=O)F 1857785248 ZVOHHXZEWHDKDA-HTQZYQBOSA-N 267.322 1.589 70 50 CDIA Cc1cc(CC(=O)N2CCC[C@@H]2c2nc(C)n[nH]2)on1 218012211 WRBAMCRATPONKZ-LLVKDONJSA-N 275.312 1.316 70 50 CDIA C[C@@H](CO)NC(=O)Cc1csc(-c2ccccn2)n1 218299699 PKFHSFGXCZHMDK-VIFPVBQESA-N 277.349 1.245 70 50 CDIA Nc1[nH]nc(C(=O)N[C@@H]2COC3(CCCC3)C2)c1Cl 218534855 FZOMTNYSIKKNNR-ZETCQYMHSA-N 284.747 1.477 70 50 CDIA CN(Cc1n[nH]c2c1CCC2)C(=O)c1cccn1C 218745079 UXGZREQRBMIXOY-UHFFFAOYSA-N 258.325 1.509 70 50 CDIA C[C@@]1(c2ccccc2)CN(C(=O)[C@@H]2CSCN2)CCO1 159644767 YYJDMSCADYGIIB-ZFWWWQNUSA-N 292.404 1.423 70 50 CDIA CN(C)[C@@H]1C[C@@H](CO)N(C(=O)c2ccc(Cl)s2)C1 218514365 IFBHCLSGPUWBAB-BDAKNGLRSA-N 288.800 1.539 70 50 CDIA Cc1cc(NC(=O)Cn2nc(C3CC3)nc2C2CC2)no1 161508618 ZQDPLDOHACBNBN-UHFFFAOYSA-N 287.323 1.968 70 50 CDIA CN(CCc1ccncc1)C(=O)c1ccc(CO)o1 217462445 QGKJGQHAAHYSFY-UHFFFAOYSA-N 260.293 1.482 70 50 CDIA CC1(CNC(=O)c2cc(=O)[nH]c3ccc(F)cc23)COC1 217762667 DBNYWUAULHFDGE-UHFFFAOYSA-N 290.294 1.434 70 50 CDIA CCc1nc(C)sc1CNC(=O)c1ccc(=O)[nH]c1 218070127 FXQMPVDIZKEEEM-UHFFFAOYSA-N 277.349 1.632 70 50 CDIA COc1ccc(O)c(C(=O)N[C@@H](C)c2n[nH]c(C)n2)c1 217786810 MEMMCJWLPVQPOG-ZETCQYMHSA-N 276.296 1.318 70 50 CDIA Nc1cc(OS(=O)(=O)F)cc(C(F)(F)F)c1 1875390104 YLUWWEVASHVILJ-UHFFFAOYSA-N 259.180 1.881 70 50 CDIA O=S(=O)(F)c1cc2c(cc1Br)OCCO2 675062853 CDAMGLKFKXCDMY-UHFFFAOYSA-N 297.101 1.879 70 50 CDIA COc1ccccc1C/C(C)=C/C(=O)N1CC[C@@H](N)C1 160234528 WBSXXBXSWBGVMB-IEZBTEQYSA-N 274.364 1.744 70 50 CDIA Cc1cnn(-c2ccc(C(=O)N3CC[C@@H](N)C3)cc2)c1 160230174 QKWZOIFZTQWDQV-CYBMUJFWSA-N 270.336 1.354 70 50 CDIA CN(CCc1ccccc1[N+](=O)[O-])S(=O)(=O)F 1875375010 NXDTXYWWJKITSM-UHFFFAOYSA-N 262.262 1.283 70 50 CDIA Cc1oncc1C(=O)NCCc1noc(C2CCC2)n1 216944235 CZCNAKASMIRQFH-UHFFFAOYSA-N 276.296 1.606 70 50 CDIA COc1cc(OC)c(NC(N)=O)cc1Br 161048727 KLNKNINFPNUAAC-UHFFFAOYSA-N 275.102 1.957 70 50 CDIA Cc1ccccc1[C@H]1CN(C(=O)CCN)[C@@H](C)CO1 161468007 VBWJZMQXVUUYKV-GXTWGEPZSA-N 262.353 1.632 70 50 CDIA O=C([C@H]1CCC[C@H](O)C1)N(CCO)Cc1ccccc1F 218643946 FQNYDWDGNAQWDH-JSGCOSHPSA-N 295.354 1.698 70 50 CDIA COCC(=O)N[C@H](c1ccncc1)c1ccc(OC)cc1 218481058 CBJFMHPOMBHHNY-INIZCTEOSA-N 286.331 1.942 70 50 CDIA CCCO[C@H]1CCCN(C(=O)c2cnc(O)cn2)C1 217590387 FKXIOTAQXSSYSN-JTQLQIEISA-N 265.313 1.213 70 50 CDIA Cc1c(F)cc(S(=O)(=O)Cl)cc1C(=O)O 328579328 ALDGQGJEEIQSFI-UHFFFAOYSA-N 252.650 1.760 70 50 CDIA Cc1cc(CN(C)C(=O)CSc2nnc(N)s2)on1 217082724 QDVHWBMUYWQISG-UHFFFAOYSA-N 299.381 1.167 70 50 CDIA C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1)c1ccc(C(C)(C)C)cc1 217754302 WEGAQGJCAJBCGM-NILFDRSVSA-N 290.407 1.884 70 50 CDIA COC(=O)c1ccc(S(=O)(=O)Cl)cc1OC 216653811 TZMUMMFORBEOTJ-UHFFFAOYSA-N 264.686 1.409 70 50 CDIA COc1ccccc1C[C@H](C)N(C)S(=O)(=O)F 1875374902 JAAWHAHMKVNBJX-VIFPVBQESA-N 261.318 1.772 70 50 CDIA C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1)c1ccc2c(c1)CCCC2 217844080 HYMTVKIFCYHIPP-IUIKQTSFSA-N 288.391 1.465 70 50 CDIA C[SiH](C)[Si]([SiH](C)C)([SiH](C)C)[SiH](C)C 199873229 FKGZHILWPVEUNC-UHFFFAOYSA-N 264.742 1.696 70 50 CDIA CN(C)C[C@H]1[C@@H]2CN(C(=O)c3ccc(F)c(O)c3)C[C@H]12 216928770 CJEYLIRRKCYXTP-CNDDSTCGSA-N 278.327 1.411 70 50 CDIA N[C@H]1CC[C@@H](C(=O)NCCc2nc3c(s2)CCCC3)C1 216867666 CLIZVMYNGIQUHE-MNOVXSKESA-N 293.436 1.808 70 50 CDIA O=C(CCCn1cccc1)NCCc1nnc2ccccn12 159449322 GIZCIZZUGOHIGG-UHFFFAOYSA-N 297.362 1.670 70 50 CDIA O=C1N[C@H]2CCC[C@@H]1CN(C(=O)c1ccc3[nH]ccc3c1)C2 217852188 IPQFBZBUDDNCAR-KGLIPLIRSA-N 297.358 1.909 70 50 CDIA O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1n[nH]c2c1CCCC2 218395555 VVWVSXZDUFNRGE-ZHAHWJHGSA-N 261.325 1.196 70 50 CDIA Cc1c(F)cc(C(=O)O)cc1S(=O)(=O)Cl 100513195 DIXGDMOYQRKMCG-UHFFFAOYSA-N 252.650 1.760 70 50 CDIA Cc1ccc(-c2ocnc2C(=O)N2CC[C@@H](N)C2)cc1 160258606 AYAMIQYDPNZMMM-GFCCVEGCSA-N 271.320 1.823 70 50 CDIA O=S(=O)(F)c1c[nH]c2ncc(Br)cc12 675065443 DVHXQAYBSISIGP-UHFFFAOYSA-N 279.090 1.984 70 50 CDIA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1ccc3[nH]nnc3c1)C2 217745854 BVKDETLHMQJUAU-YABSGUDNSA-N 286.335 1.455 70 50 CDIA COC(=O)c1cc(S(=O)(=O)Cl)c(C)cc1O 148810985 GNEJTBDFHDQPOE-UHFFFAOYSA-N 264.686 1.415 70 50 CDIA O=C(c1ccc(S(=O)(=O)F)cc1)N1CCCC1 675065779 PZEDVKRTCJGGHG-UHFFFAOYSA-N 257.286 1.581 70 50 CDIA C[C@@H]1CN(C[C@@H](O)c2ccc3c(c2)OCCO3)C[C@@H](C)O1 217600422 OCZGBUAQOXVNJM-YRGRVCCFSA-N 293.363 1.600 70 50 CDIA CCOC(=O)/C=C/c1ccc(S(=O)(=O)F)cc1 675066343 IHSQJKXTCKRMPR-VMPITWQZSA-N 258.270 1.921 70 50 CDIA COCc1nc(CNC(=O)c2ccc(Cl)s2)no1 218482513 ZYLGRXAFRIVJQS-UHFFFAOYSA-N 287.728 1.861 70 50 CDIA O=C(N[C@H]1CCCNC1=O)c1ccc(N2CCCC2)cc1 218467160 XKIFRGBFGFRPOU-AWEZNQCLSA-N 287.363 1.295 70 50 CDIA O=S(=O)(Cl)c1ccc(OCC(F)(F)F)nc1 97945866 QEDNFZJYFXUQDH-UHFFFAOYSA-N 275.635 1.950 70 50 CDIA in-vitro O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)c1cc[nH]c1 218029426 HJCHDKLXEIQHBT-ZNMIVQPWSA-N 285.347 1.522 70 50 CDIA O=S(=O)(Cl)c1cnc2[nH]nc(Cl)cc1-2 1857784414 WOVXYSPZMORUMJ-UHFFFAOYSA-N 252.082 1.490 70 50 CDIA CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1ccncc1 160043218 ILLCPZQDENVRRH-ZOWXZIJZSA-N 275.352 1.553 70 50 CDIA CCCN1CC[C@@H](NC(=O)CN(C)Cc2cccnc2)C1 217503348 QQVPSCNIQODMKV-OAHLLOKOSA-N 290.411 1.114 70 50 CDIA COc1ccc([C@@H](O)C(=O)NCc2c(C)n[nH]c2C)cc1 217471579 ZWHFWSPUKIVDCI-CQSZACIVSA-N 289.335 1.385 70 50 CDIA Cc1nc(N)sc1C(=O)NCC[C@H]1CCCCO1 217136580 UGKAKDDKZOGFLH-SECBINFHSA-N 269.370 1.723 70 50 CDIA CC[C@@H](NC(=O)Cc1ccc(N(C)C)cc1)C1CC(O)C1 218417995 HYAXFVQCELKQPE-AVVWSFFYSA-N 290.407 1.961 70 50 CDIA COC[C@H](NC(=O)c1ccc(N)nc1)c1ccccn1 218091504 IQHCWCHAEBDOOE-LBPRGKRZSA-N 272.308 1.176 70 50 CDIA CN1CCc2cc(OS(=O)(=O)F)c(F)cc2C1 1875375934 VXQSTYOMKMAGLO-UHFFFAOYSA-N 263.265 1.407 70 50 CDIA O=C1[C@H]2/C=C\C/C=C\C=C/[C@H]2N1S(=O)(=O)Cl 101137981 IMYGNGUQRJDLQF-PKRJGPDASA-N 259.714 1.369 70 50 CDIA C[C@H](c1ccncn1)N(C)C(=O)Cc1ccccn1 217725028 IRVMMCBZYHQAKI-LLVKDONJSA-N 256.309 1.634 70 50 CDIA Cc1noc(CNC(=O)Nc2cnn(C(C)(C)C)c2)n1 161296580 SFOXNMJIVNBHRD-UHFFFAOYSA-N 278.316 1.651 70 50 CDIA CC(C)Oc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H](O)CN2)cc1 217754827 TYQPVPKVUWPXNV-NJZAAPMLSA-N 292.379 1.374 70 50 CDIA CCC[C@](C)(O)C(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 159767332 GPDFWGFYIWFKNI-KWCYVHTRSA-N 287.425 1.708 70 50 CDIA CO[C@@H]1CCN(C(=O)c2cnc(SC)nc2)C1 218627781 ULRJSRMBFQBODL-SECBINFHSA-N 253.327 1.059 70 50 CDIA O=C1CC[C@H](Cc2ccc(OS(=O)(=O)F)cc2)O1 1875374375 MRLDGNPNFLCXQK-SNVBAGLBSA-N 274.269 1.528 70 50 CDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cncc(Cl)c1 218286447 IDROYAFRMXKYKA-LOWDOPEQSA-N 296.754 1.515 70 50 CDIA CC(=O)N1CCc2sc(S(=O)(=O)F)cc2C1 675066557 NFOABKDOFPTQOH-UHFFFAOYSA-N 263.315 1.311 70 50 CDIA CN(C(=O)c1scc2c1CCCC2)[C@H]1COC[C@@H]1O 218692823 BDKJGBOVGPVLEJ-RYUDHWBXSA-N 281.377 1.459 70 50 CDIA CC1(C(=O)Nc2cncc(OS(=O)(=O)F)c2)CCC1 1875388298 VMXFELNKGYYRJA-UHFFFAOYSA-N 288.300 1.803 70 50 CDIA CCOc1ccccc1OCC(=O)N1CC[C@@H](N)C1 160221493 DFDCZOZNKDNVRM-LLVKDONJSA-N 264.325 1.024 70 50 CDIA O=C([C@H]1CCCO1)N1CCC(OCc2ccccn2)CC1 218637835 FKOSAYHTQPGLQR-OAHLLOKOSA-N 290.363 1.768 70 50 CDIA CN1CCC[C@@H]1CCN(CCO)Cc1ccccc1 161407977 DPWROUIZULKTNM-MRXNPFEDSA-N 262.397 1.965 70 50 CDIA CC1(CNC(=O)[C@@H](O)c2cccc(Cl)c2)COC1 217125096 HJCJBNZUZWJNHB-NSHDSACASA-N 269.728 1.526 70 50 CDIA CC(C)[C@H](C)N(CCS(=O)(=O)F)Cc1ccon1 1875382902 WTTAYTDESCEDPD-JTQLQIEISA-N 278.349 1.820 70 50 CDIA COC(=O)CSc1ccccc1OS(=O)(=O)F 1875374371 MKEZIIPKQKRNDH-UHFFFAOYSA-N 280.298 1.545 70 50 CDIA C[C@H](CO)N(C)C(=O)c1cccc(NC(=O)C2CC2)c1 160403292 AWQLJYNGCIMDHA-SNVBAGLBSA-N 276.336 1.488 70 50 CDIA CO[C@H](C)CC(=O)NCCNC1CCCCCC1 159729340 GSHHRTKPJXYHPN-GFCCVEGCSA-N 256.390 1.840 70 50 CDIA N[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3)nc2)C1 160319793 VIXWGSNECHUFMM-CYBMUJFWSA-N 268.320 1.317 70 50 CDIA CC(C)(C)OC(=O)N1CC[C@](C#N)(CS(=O)(=O)F)C1 1775955543 CNCHBOKTQLVXAM-LLVKDONJSA-N 292.332 1.436 70 50 CDIA O=C1CC[C@@H]2CNCC[C@@H]2N1Cc1cccc(F)c1 160002977 SQNMZFJQDRIHOE-OCCSQVGLSA-N 262.328 1.926 70 50 CDIA Cc1ccc(CCNC(=O)C[C@H]2C=CS(=O)(=O)C2)o1 218236482 USRGRNSFQYCSQT-LLVKDONJSA-N 283.349 1.195 70 50 CDIA CC[C@H](N)C(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O 159941170 KQOHZPRZBBBVNI-AAEUAGOBSA-N 293.342 1.127 70 50 CDIA CC(=O)N1C[C@H](C)Oc2ccc(S(=O)(=O)Cl)cc21 100648359 DHCMABHNRHWHSV-ZETCQYMHSA-N 289.740 1.748 70 50 CDIA CC(=O)N1CC(Nc2ccc(Cl)c(C(N)=O)c2)=CC1=O 218561559 GOSUSCOWQLZSAI-UHFFFAOYSA-N 293.710 1.123 70 50 CDIA OC[C@@H](O)CSCc1noc(C2CCCCC2)n1 159864003 ONPXJMRYHXKVDJ-SNVBAGLBSA-N 272.370 1.704 70 50 CDIA O=C(O)c1cc(S(=O)(=O)Cl)cc(F)c1F 100440857 CXNWVFAMWRNPLN-UHFFFAOYSA-N 256.613 1.591 70 50 CDIA C[C@@H](Sc1ccccn1)C(=O)NCCc1cn[nH]c1 217783142 GJEPQZLKDMQVPF-SNVBAGLBSA-N 276.365 1.644 70 50 CDIA Cn1cc([C@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cn1 217754270 JBHHHOYTCMMFEE-LLVKDONJSA-N 296.282 1.968 70 50 CDIA biogenic Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(O)c(Cl)c1 218185744 IRKXSKKEULUGCR-MRVPVSSYSA-N 295.726 1.378 70 50 CDIA C[C@H](NC(=O)c1cccc(F)c1O)c1nncn1C 218246039 SBTMTQYVUWOSFZ-ZETCQYMHSA-N 264.260 1.151 70 50 CDIA NC[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c2cc(F)ccc12 160206931 XQHKQAJGINBHPC-JTQLQIEISA-N 289.310 1.231 70 50 CDIA Cc1ccccc1[C@H](O)CNC(=O)[C@@H](N)C(C)C 159844133 QVJMFZNEIHZUTF-OLZOCXBDSA-N 250.342 1.128 70 50 CDIA CCCN(C[C@@H]1CCCO1)C(=O)c1cc(C)[nH]c(=O)c1 217421077 LJCGESLARWXXIC-ZDUSSCGKSA-N 278.352 1.715 70 50 CDIA CCN1CCC(CN(C)C(=O)Cc2cnccn2)CC1 218375357 SHPYASIAMBUSFV-UHFFFAOYSA-N 276.384 1.209 70 50 CDIA CCc1ccc(CNC(=O)c2cnc(O)cn2)nc1 217678559 CMQQRTTVTWUNFD-UHFFFAOYSA-N 258.281 1.070 70 50 CDIA COc1cn(CC(=O)Nc2cccnc2)c(C)cc1=O 218262746 HGXKJJRJBKYYSF-UHFFFAOYSA-N 273.292 1.199 70 50 CDIA COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Cl 59098589 YTXALTVDBABPNL-UHFFFAOYSA-N 284.742 1.026 70 50 CDIA CC[C@H](NC(=O)c1cc(=O)cc(C)o1)C1CC(O)C1 218443849 XUZDDPAIAGGKPU-NHNAUAITSA-N 265.309 1.228 70 50 CDIA Cc1nc(N)sc1C(=O)NC[C@@H]1CCCCCN1 218080299 PZSBOTSQHAQVEJ-VIFPVBQESA-N 268.386 1.296 70 50 CDIA O=C(Cc1c(F)cccc1F)N[C@H]1C[C@@H]2OCC[C@H]12 218685769 UJUBWZCAMOHRSM-JCOFBHIZSA-N 267.275 1.801 70 50 CDIA CC(=O)N1CC(Nc2ccc3nccnc3c2)=CC1=O 218446223 QJBZJAPZUBOAKQ-UHFFFAOYSA-N 268.276 1.314 70 50 CDIA CCn1ncnc1CN1CCC(O)(c2cccnc2)CC1 217073927 LEPAOVNEFCOVKJ-UHFFFAOYSA-N 287.367 1.177 70 50 CDIA CSCC[C@H](O)C(=O)N(C)Cc1cccnc1 216923983 NXUHFBYDFSDCAV-NSHDSACASA-N 254.355 1.154 70 50 CDIA Cn1cc([C@H](NC(=O)c2ccsc2)C2CC(O)C2)cn1 218330843 IKBACYUAPYSNHC-KGPNIALWSA-N 291.376 1.724 70 50 CDIA C[C@H](N)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 159508132 YMKVJSNGJFXDTP-HZMBPMFUSA-N 296.798 1.959 70 50 CDIA O=C(COc1ccc(F)cc1)NCCSc1cnn[nH]1 218529223 OIAWHFFPXIBPBQ-UHFFFAOYSA-N 296.327 1.231 70 50 CDIA Cc1ccccc1[C@@H]1CN(C(=O)CCN)[C@H](C)CO1 161467606 VBWJZMQXVUUYKV-OCCSQVGLSA-N 262.353 1.632 70 50 CDIA O=C(N[C@@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1cnco1 218635829 XFOLINPJPBFDNR-AVGNSLFASA-N 287.319 1.182 70 50 CDIA CCc1ccc(CNC(=O)CN2CCCCCC2=O)nc1 218567064 HXBZUVTUTIFNFC-UHFFFAOYSA-N 289.379 1.663 70 50 CDIA C[C@@H](NC(=O)c1ccn(C(F)F)n1)c1nnc(N)s1 218527187 LJWBYGZBIIIQLG-SCSAIBSYSA-N 288.283 1.203 70 50 CDIA Cc1nc(N)sc1C(=O)N[C@H](C)c1c(C)n[nH]c1C 217033821 TURIPXYLSAKLEB-RXMQYKEDSA-N 279.369 1.865 70 50 CDIA Cc1ccccc1[C@H]1CN(C(=O)[C@@H]2CCCNC2)CCO1 160842499 POZJYQDKORJMPN-GDBMZVCRSA-N 288.391 1.895 70 50 CDIA Cc1ccccc1[C@@H](O)CNC(=O)[C@@H](N)C(C)C 159844253 QVJMFZNEIHZUTF-STQMWFEESA-N 250.342 1.128 70 50 CDIA CN(C)[C@@H]1[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 217146457 RWCAMPUTJDIBQY-PJXYFTJBSA-N 251.399 1.915 70 50 CDIA COC(=O)c1cc(C)c(S(=O)(=O)Cl)s1 95676434 YWBXGHFHMHUSKH-UHFFFAOYSA-N 254.716 1.771 70 50 CDIA O=C(c1ccc(F)cc1)C1CN(S(=O)(=O)F)C1 1875375159 SPFGBCRPOZWBSK-UHFFFAOYSA-N 261.249 1.155 70 50 CDIA O=S(=O)(Cl)c1cc2nc(O)[nH]c2cc1Cl 100153709 JYUMRCXNUJXZHH-UHFFFAOYSA-N 267.093 1.849 70 50 CDIA Cc1ccc(OS(=O)(=O)C(F)(F)F)c([N+](=O)[O-])n1 100117245 TZAHUIAESWUDID-UHFFFAOYSA-N 286.187 1.527 70 50 CDIA CCO[C@@H]1COCC[C@H]1NC(=O)CCc1ccccc1 217991571 XDPQMOMSXOFCLG-HUUCEWRRSA-N 277.364 1.929 70 50 CDIA Cn1cc([C@@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cn1 217754184 JBHHHOYTCMMFEE-NSHDSACASA-N 296.282 1.968 70 50 CDIA biogenic COc1ccnc(CNC(=O)c2cc(C)nc(C)n2)c1 217661411 HCAZAUTXGLILCO-UHFFFAOYSA-N 272.308 1.427 70 50 CDIA Cc1cc(C[C@@H](C)NC(=O)Cc2cccnc2)n[nH]1 161116875 NRLPYOWLDIDUBJ-SNVBAGLBSA-N 258.325 1.403 70 50 CDIA CCc1nccn1CCC(=O)N[C@@H](C)Cc1cccnc1 217349733 ZVKITJWEGKTRQY-ZDUSSCGKSA-N 286.379 1.978 70 50 CDIA O=C(COCC(F)(F)C(F)F)NCCc1cnccn1 218771883 YLOIRRUUVQESOF-UHFFFAOYSA-N 295.236 1.052 70 50 CDIA CO[C@@]1(C)C[C@H](OC(=O)Cn2c(C)csc2=O)C1(C)C 159670630 GVBLFBUVPSJEKZ-HZMBPMFUSA-N 299.392 1.965 70 50 CDIA C[C@@H]1Oc2ccc(S(=O)(=O)Cl)cc2NC1=O 59681269 VDOUTDKFANTPPX-YFKPBYRVSA-N 261.686 1.334 70 50 CDIA O=C(O)c1cc(F)cc(S(=O)(=O)Cl)c1F 100511840 LGBNVUCZKQWBFQ-UHFFFAOYSA-N 256.613 1.591 70 50 CDIA CN1CCC2(CCCN(C(=O)Cn3ccnc3)CC2)CC1 218480854 KYZROPAAEKIFRI-UHFFFAOYSA-N 290.411 1.608 70 50 CDIA CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)F)C1 307342125 KGUFPZQZPDWHAW-QMMMGPOBSA-N 267.322 1.685 70 50 CDIA Cc1ccccc1SCC(=O)N[C@H](C)c1n[nH]c(=O)[nH]1 217123353 VIDXYJPYHDZDFF-SECBINFHSA-N 292.364 1.376 70 50 CDIA Cc1cnc(S(=O)(=O)F)c(Br)c1 1857781313 ITILXMSHGLYJFA-UHFFFAOYSA-N 254.080 1.811 70 50 CDIA COc1ccc(F)c(F)c1C(=O)NCCc1nccn1C 218722454 XFYCNNYIJOGJEQ-UHFFFAOYSA-N 295.289 1.679 70 50 CDIA O=C(Cc1cc(Cl)ccc1Cl)N1CCNCC1 159375706 YQUUUKKPMHTHIL-UHFFFAOYSA-N 273.163 1.968 70 50 CDIA Cn1cc(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)cn1 1875374572 XADUICSAMVMBAB-UHFFFAOYSA-N 299.283 1.266 70 50 CDIA O=[N+]([O-])c1ccccc1OS(=O)(=O)C(F)(F)F 106873251 XGEKGCZJDVVOJA-UHFFFAOYSA-N 271.172 1.823 70 50 CDIA C[C@]1(c2ccccc2)CN(C(=O)[C@H]2CSCN2)CCO1 159644888 YYJDMSCADYGIIB-UKRRQHHQSA-N 292.404 1.423 70 50 CDIA Cc1n[nH]c(C)c1CNC(=O)[C@H](N)CC(C)(C)C 218047401 HENZUUAIZVRSSQ-LLVKDONJSA-N 252.362 1.406 70 50 CDIA C[C@@H](NC(=O)COCC(F)(F)C(F)F)c1cnn(C)c1 217713836 OKADTLUSUNYMAU-SSDOTTSWSA-N 297.252 1.514 70 50 CDIA Cc1n[nH]c(C)c1CNC(=O)c1ccc(O)cc1F 217923209 BYPQDSQRRWKUME-UHFFFAOYSA-N 263.272 1.801 70 50 CDIA COc1cc([C@@H](C)O)cc(OC)c1OS(=O)(=O)F 1875374530 VJZSMVXFGPGYEY-ZCFIWIBFSA-N 280.273 1.350 70 50 CDIA CCOCCC(=O)N[C@@H](C)c1nnc(C(C)C)o1 218654070 XRFUHIJGLUQLGR-VIFPVBQESA-N 255.318 1.797 70 50 CDIA CC[C@@H](C)C(=O)N[C@H]1CCN(c2ccccc2OC)C1=O 161291421 YSYZYKSXUCVFNA-NEPJUHHUSA-N 290.363 1.963 70 50 CDIA O=C(O)c1c(F)cc(S(=O)(=O)Cl)cc1F 958528819 LPXACIJMLISYDG-UHFFFAOYSA-N 256.613 1.591 70 50 CDIA O=C(NCCc1cnccn1)c1ccc(Cl)cc1O 217747139 AEMMYOQXLVPAHN-UHFFFAOYSA-N 277.711 1.808 70 50 CDIA O=S(=O)(F)Oc1cc(CO)cc(C(F)(F)F)c1 1875374745 ZXYCKSVEKFUDCQ-UHFFFAOYSA-N 274.191 1.791 70 50 CDIA Cc1nc(CC(=O)N2CC[C@H](N3CCCC3)C2)c(C)s1 161337916 XOJPENDPPVQODM-ZDUSSCGKSA-N 293.436 1.999 70 50 CDIA CSCC[C@@H](O)C(=O)N(C)CCc1ccncc1 217214904 LQXKGTSYMVRZBP-GFCCVEGCSA-N 268.382 1.197 70 50 CDIA O=C(CCl)N[C@@H]1c2ccccc2CC[C@H]1CO 149034726 ULZQHEZREYXILL-GWCFXTLKSA-N 253.729 1.637 70 50 CDIA CSc1ncccc1C(=O)NCc1cnc2cnccn12 217214741 ZAMZKHQXWMBZNZ-UHFFFAOYSA-N 299.359 1.776 70 50 CDIA Cc1nc(O)ccc1C(=O)NC[C@@H]1CCN(C2CC2)C1 159764907 JJFURFHFBBJNCR-NSHDSACASA-N 275.352 1.310 70 50 CDIA Cc1ccc(C(=O)N2CCN(CCCCO)CC2)c(O)c1 216977192 GAGGDMOEVGLRPK-UHFFFAOYSA-N 292.379 1.231 70 50 CDIA CNC[C@@H]1CCCN1C(=O)c1cn(-c2cccc(C)c2)nn1 161256750 LOCKKASIEFTAFU-AWEZNQCLSA-N 299.378 1.400 70 50 CDIA CCOC(=O)Cc1ccc(OS(=O)(=O)F)c(F)c1 1875374427 PTZSMCWIFGBWLJ-UHFFFAOYSA-N 280.248 1.524 70 50 CDIA CCOc1ccc(NC(C)=O)cc1S(=O)(=O)Cl 95698400 QABZOPQRRCWJGL-UHFFFAOYSA-N 277.729 1.971 70 50 CDIA CSCC[C@H](O)C(=O)N(C)CCc1ccncc1 217214909 LQXKGTSYMVRZBP-LBPRGKRZSA-N 268.382 1.197 70 50 CDIA CC[C@H](N)C(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O 159941026 KQOHZPRZBBBVNI-WCQYABFASA-N 293.342 1.127 70 50 CDIA Cc1nonc1CC(=O)N[C@H](C)c1nc(C(C)C)no1 217679623 CGPOJWZVVIYWLT-MRVPVSSYSA-N 279.300 1.304 70 50 CDIA C[C@H]1CN(C(=O)CN(C)Cc2cccnc2)CCCO1 217009085 GMTLKCFNBBXVPV-ZDUSSCGKSA-N 277.368 1.151 70 50 CDIA CN(CCc1ncon1)C(=O)[C@@H]1C[C@H]1c1ccccc1 217216453 KFNXOISUXXBMMY-QWHCGFSZSA-N 271.320 1.874 70 50 CDIA CC(C)c1cc(=O)n(CC(=O)NCC(F)(F)F)cn1 160859481 BHLZTPCXFBXCKQ-UHFFFAOYSA-N 277.246 1.045 70 50 CDIA OCc1cc2n(n1)CCN(CCSc1ccccc1)C2 218213116 XXNPACPRCQMIFL-UHFFFAOYSA-N 289.404 1.983 70 50 CDIA CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(-c2ccncc2)[nH]n1 218378265 JGWQUCNKLPBKDN-QMTHXVAHSA-N 288.351 1.609 70 50 CDIA COc1cc(CN2CCN3CCN(C)C[C@@H]3C2)ccc1F 217931218 GZQKBJPYCYYOKG-CQSZACIVSA-N 293.386 1.266 70 50 CDIA CC[C@H](O)c1cc2n(n1)CCN(c1nccnc1OC)C2 218260550 KJASIZOEUIUKTA-LBPRGKRZSA-N 289.339 1.145 70 50 CDIA O=C1CCc2cc(S(=O)(=O)F)cc3c2N1CC3 675064151 CHOBPWJHCQMSOR-UHFFFAOYSA-N 255.270 1.180 70 50 CDIA COc1ccc2c(c1)CCN(S(=O)(=O)F)CC2 1875375232 VYIXHCCTPZVZHM-UHFFFAOYSA-N 259.302 1.310 70 50 CDIA Cc1ccccc1[C@H]1CN(C(=O)[C@@H]2CCCN2)CCO1 160842245 ZBVMNSCYTOSJPD-LSDHHAIUSA-N 274.364 1.647 70 50 CDIA CNc1nc(C(=O)NCCc2scnc2C)cs1 217040508 QFYFNVIESPGFKB-UHFFFAOYSA-N 282.394 1.922 70 50 CDIA Nc1nc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)cs1 218028184 NVEQSDANCMANRM-KOLCDFICSA-N 297.380 1.039 70 50 CDIA O=S(=O)(F)Oc1ccc(CN2CCC(O)CC2)cc1 1875387814 YTNWANCUSLUZMD-UHFFFAOYSA-N 289.328 1.236 70 50 CDIA CCOCCC(=O)N[C@H](C)c1nnc(C(C)C)o1 218654137 XRFUHIJGLUQLGR-SECBINFHSA-N 255.318 1.797 70 50 CDIA CC[C@@H](NC(=O)C(=O)Nc1ccccc1)c1ccnn1C 218648162 UPYDENBLDUDYAX-GFCCVEGCSA-N 286.335 1.626 70 50 CDIA O=C(c1cc(Cl)ccc1F)N1CCC[C@](O)(CO)C1 217154629 ZWNLUSUWWRFRSN-CYBMUJFWSA-N 287.718 1.439 70 50 CDIA COc1cn(CC(=O)Nc2ccncc2)c(C)cc1=O 218308661 HBSHANMRAZUSLG-UHFFFAOYSA-N 273.292 1.199 70 50 CDIA CCN1CC[C@@H](CN(C)Cc2cnc(C)n2C)C1 217448260 QTZBMZPIZGBSHS-ZDUSSCGKSA-N 250.390 1.502 70 50 CDIA O=C(Nc1ncco1)N[C@H]1c2ccccc2C[C@@H]1O 159446496 OTGYZNJBNKAYJA-QWRGUYRKSA-N 259.265 1.454 70 50 CDIA CCOC(=O)Cc1ccc(S(=O)(=O)Cl)cc1 113162546 DJZDJYQHMMORTE-UHFFFAOYSA-N 262.714 1.720 70 50 CDIA C[C@H](Cc1cccnc1)NC(=O)c1ccc(N)nc1 217530678 BCCKTSCCZPLDSA-SNVBAGLBSA-N 256.309 1.420 70 50 CDIA N[C@H]1CC[C@H](NC(=O)c2cccc(-n3cccn3)c2)C1 216676348 ZTMVENKSKVUFGS-STQMWFEESA-N 270.336 1.482 70 50 CDIA NC(=O)CN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 161137443 KLHPPJXIDWLTSI-WDEREUQCSA-N 288.269 1.298 70 50 CDIA Cn1cc(S(=O)(=O)N2CCC[C@H]3CCCC[C@H]32)cn1 159487266 HRMCKAMTGXBYKL-DGCLKSJQSA-N 283.397 1.763 70 50 CDIA COc1c(F)cc(C(=O)O)cc1S(=O)(=O)Cl 59221987 SKDLSNYWFWHJOI-UHFFFAOYSA-N 268.649 1.460 70 50 CDIA N[C@H]1CC[C@@H](C(=O)NCCCn2nnc3ccccc32)C1 216918665 VJXBGIQNMZTGST-NEPJUHHUSA-N 287.367 1.065 70 50 CDIA O=C(O)c1cc(S(=O)(=O)F)cc(F)c1Cl 675063363 QZOAUMRLHDHVEW-UHFFFAOYSA-N 256.613 1.836 70 50 CDIA CN(C)CCNC(=O)c1cnc2ccc(Cl)cc2c1O 218277749 XRNROLZAINIXSY-UHFFFAOYSA-N 293.754 1.885 70 50 CDIA Cc1nc2s/c(=C\c3cc(F)c(F)c(F)c3)c(=O)n2n1 218547065 MXBSCSMAHVRILI-WTKPLQERSA-N 297.261 1.424 70 50 CDIA O=[N+]([O-])c1cc(S(=O)(=O)Cl)cc(F)c1F 263622747 ANKKCALWKAVFBE-UHFFFAOYSA-N 257.601 1.801 70 50 CDIA CS(C)(=O)=Nc1cccc(OS(=O)(=O)F)c1 1875374122 BIEZIFFGNXBOBZ-UHFFFAOYSA-N 267.303 1.639 70 50 CDIA CCn1nc(C(C)C)cc1C(=O)N1CCNCC1 159448859 FTGMUDMCLQVMSC-UHFFFAOYSA-N 250.346 1.072 70 50 CDIA O=C(NCC[C@H]1COc2ccccc2O1)c1cnc[nH]1 217062768 VKIVOSAKFMEOQA-JTQLQIEISA-N 273.292 1.370 70 50 CDIA O=C(c1ccccc1OC[C@H]1CCCO1)N1CCNCC1 159442644 NXTQRSNXORLGJK-CYBMUJFWSA-N 290.363 1.290 70 50 CDIA CSc1ncc(C(=O)N[C@H](C)c2nnc(N)s2)cn1 218363490 JXBZLYWKCMEJCC-RXMQYKEDSA-N 296.381 1.123 70 50 CDIA CCCN1CC[C@H](NC(=O)CN(C)Cc2cccnc2)C1 217503420 QQVPSCNIQODMKV-HNNXBMFYSA-N 290.411 1.114 70 50 CDIA CN(C[C@@H]1COCCO1)C(=O)Cc1ccc(O)c(Cl)c1 217207787 DMZGTIJDBFNORJ-LLVKDONJSA-N 299.754 1.462 70 50 CDIA CN(CCNC(=O)[C@H]1CCC[C@H](O)C1)c1ccccc1 218471453 LCSIFQAFJSVKSF-ZFWWWQNUSA-N 276.380 1.790 70 50 CDIA Cc1cn(-c2cccc(OS(=O)(=O)F)c2)cn1 1875374724 YWJCDYFHDUBBCN-UHFFFAOYSA-N 256.258 1.774 70 50 CDIA CC(=O)NCc1ccc(S(=O)(=O)Cl)s1 100467824 KKVTZUOGCRXNQQ-UHFFFAOYSA-N 253.732 1.312 70 50 CDIA CCn1cc(CNC(=O)CN(C)Cc2cccnc2)cn1 217584379 IPJAHTBJSJZAFS-UHFFFAOYSA-N 287.367 1.046 70 50 CDIA Cc1cc(C)c(CNC(=O)c2ccc(O)cn2)cn1 218135440 BJDCETYYHQKESR-UHFFFAOYSA-N 257.293 1.729 70 50 CDIA CCOCCC(=O)N1CCC(c2ccnc(C)n2)CC1 218586439 QINPZHDGLHHWGW-UHFFFAOYSA-N 277.368 1.918 70 50 CDIA COc1ccc([C@@H](CC(N)=O)c2c(C)[nH][nH]c2=O)cc1 218371362 URFIJKQUWUUCEZ-LLVKDONJSA-N 275.308 1.027 70 50 CDIA COc1cc(Cl)ccc1C(=O)N(C)[C@H]1COC[C@@H]1O 218280136 QAQCKGITDNOEBZ-QWRGUYRKSA-N 285.727 1.180 70 50 CDIA Cn1cc(CN2CC[C@@H](CNc3ccccn3)C2)cn1 160909999 RJKJNKTWLXTYEU-ZDUSSCGKSA-N 271.368 1.749 70 50 CDIA CC[C@H](NC(=O)CCC(=O)N(C)C)c1nc(C)c[nH]1 217018009 RPVMSXRGNKGPRQ-JTQLQIEISA-N 266.345 1.154 70 50 CDIA O=[N+]([O-])c1ccc(OS(=O)(=O)C(F)(F)F)cc1 68576474 NDTIXHNCNLKURN-UHFFFAOYSA-N 271.172 1.823 70 50 CDIA OC1CC(c2cc(NCCCn3ccnc3)ncn2)C1 218447066 XEDPOBHDZPYXGT-UHFFFAOYSA-N 273.340 1.414 70 50 CDIA Cc1ccn2cc(CNC(=O)C(=O)c3cccn3C)nc2c1 216964575 MRWHFGBVZYPZGM-UHFFFAOYSA-N 296.330 1.480 70 50 CDIA CSCC(=O)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 218426083 BLGZSJHLVGZFIK-CWSCBRNRSA-N 266.366 1.373 70 50 CDIA CC(C)c1cc(CN(C)C(=O)CN2CCOC2=O)no1 218192401 JBWALDHWQHIILT-UHFFFAOYSA-N 281.312 1.209 70 50 CDIA C[C@H](NC(=O)Cc1ccc(N(C)C)cc1)c1nncn1C 218307960 OIAXVPPUBKRDHU-NSHDSACASA-N 287.367 1.301 70 50 CDIA Cc1cccc(C(=O)NCc2nnnn2-c2ccccc2)n1 217162583 PPWLVCJKVAQNCV-UHFFFAOYSA-N 294.318 1.296 70 50 CDIA COC(=O)N[C@@H](C)C(=O)NCc1cnc(C)cc1C 218386156 OUQUSAHROGQUEA-JTQLQIEISA-N 265.313 1.059 70 50 CDIA COCCS(=O)(=O)NC[C@@H](C)c1ccc(C)cc1 159691883 WGAXORAYBCGEIS-GFCCVEGCSA-N 271.382 1.664 70 50 CDIA Cc1nonc1CC(=O)N1CCC[C@@H]1c1ccccn1 216968916 AKPSDWHLYDZVQA-CYBMUJFWSA-N 272.308 1.679 70 50 CDIA CN(CCc1ncon1)C(=O)c1ccc(F)cc1F 217503077 DGUJQHWKTKZJQB-UHFFFAOYSA-N 267.235 1.663 70 50 CDIA O=S(=O)(F)c1ccccc1S(=O)(=O)Cl 95736107 UHOQOZLYSJNPJR-UHFFFAOYSA-N 258.679 1.272 70 50 CDIA CSCCC(=O)N1CCC(Cc2noc(C)n2)CC1 218199752 BKFMDHCVBFUNMG-UHFFFAOYSA-N 283.397 1.912 70 50 CDIA O=C(Nc1cncc(OS(=O)(=O)F)c1)C1CCCC1 1875388195 PXZUBZFQXUEDLB-UHFFFAOYSA-N 288.300 1.803 70 50 CDIA C#Cc1cccc(NC2CCN(S(=O)(=O)F)CC2)c1 1875373525 DOAVSEXDWTXQMN-UHFFFAOYSA-N 282.340 1.759 70 50 CDIA CN(Cc1ncc[nH]1)C(=O)[C@@H](O)c1cccc(Cl)c1 217003567 YBXRKTACKFORML-LBPRGKRZSA-N 279.727 1.755 70 50 CDIA CCc1noc([C@H](C)N[C@@H]2CCCCC[C@@H]2C(N)=O)n1 159412228 NETYIZCHLNVOFQ-GARJFASQSA-N 280.372 1.717 70 50 CDIA COc1cc(C2CN(S(=O)(=O)F)C2)ccc1F 1875375039 OSAYNBLRTUULPE-UHFFFAOYSA-N 263.265 1.448 70 50 CDIA O=C(c1ccnn1CCO)N1CC[C@@H](C2CCCCC2)C1 218431650 HIHXEWZHZYMGPW-CQSZACIVSA-N 291.395 1.918 70 50 CDIA Cc1ccn(-c2ccccc2NC(=O)[C@@H]2CNC(=O)C2)n1 161332118 FQYYAGIRQHKRIF-NSHDSACASA-N 284.319 1.255 70 50 CDIA CN(C)CCNC(=O)c1cnc2c(Cl)cccc2c1O 218320734 QEEZBIDVKZAYFD-UHFFFAOYSA-N 293.754 1.885 70 50 CDIA CC[C@@H](NC(=O)CCC(=O)N(C)C)c1nc(C)c[nH]1 217017964 RPVMSXRGNKGPRQ-SNVBAGLBSA-N 266.345 1.154 70 50 CDIA C[C@@]1(c2ccccc2)CN(C(=O)[C@H]2CSCN2)CCO1 159645019 YYJDMSCADYGIIB-HIFRSBDPSA-N 292.404 1.423 70 50 CDIA COc1cccc2c1CC[C@@H]2NC(=O)c1c[nH]nn1 160086971 DSQVBXCHCQOZGD-JTQLQIEISA-N 258.281 1.231 70 50 CDIA Cc1cc([C@@H]2CCCN2C(=O)Cc2cnccn2)on1 218369003 CXQYVPSRHKUVIC-LBPRGKRZSA-N 272.308 1.679 70 50 CDIA CCOCCC(=O)N1CCN(C)[C@H](c2ccccc2)C1 217431837 ALTOMEKLWLAAJR-HNNXBMFYSA-N 276.380 1.928 70 50 CDIA COCCN1C[C@@H](Cc2cccc(N(C)C)c2)CC1=O 218153611 YZSVNZXPEBKCPF-AWEZNQCLSA-N 276.380 1.790 70 50 CDIA Cc1nc(O)nc(C)c1CCC(=O)NC[C@@H]1CCCCO1 217671769 IBKVXOMITJCXPL-LBPRGKRZSA-N 293.367 1.417 70 50 CDIA CCOC(=O)[C@H]1[C@H]2C[C@@H](S(=O)(=O)F)CC[C@H]21 675050613 BVFBVEYAMDVOSS-UYXSQOIJSA-N 250.291 1.264 70 50 CDIA Nc1cc(C(=O)NC[C@@H]2CCN(C3CCCCC3)C2)n[nH]1 218203191 SYPVRQRVUBMVMX-NSHDSACASA-N 291.399 1.376 70 50 CDIA Oc1cccc(CN(C[C@@H]2[C@H]3CNC[C@H]32)C2CC2)c1 217739723 UNYDPZFWDIMCLE-ZSHCYNCHSA-N 258.365 1.822 70 50 CDIA C[C@H](NC(=O)c1cc(F)cc(Cl)c1)c1n[nH]c(=O)[nH]1 216963926 ZOIDALHEQDUAIJ-YFKPBYRVSA-N 284.678 1.382 70 50 CDIA O=C(CCCn1cccn1)NCc1nc2ccccc2[nH]1 218559186 SDYPRORYWFEAIG-UHFFFAOYSA-N 283.335 1.856 70 50 CDIA COc1ccc(-n2cccn2)cc1S(=O)(=O)Cl 100162441 KUDGOSQVGJNNQS-UHFFFAOYSA-N 272.713 1.808 70 50 CDIA CCS[C@@H](C)C(=O)NCCc1nnc(C)s1 218292627 UQRDDNSNCBZRCR-ZETCQYMHSA-N 259.400 1.647 70 50 CDIA Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)C1=Cc2ccccc2OC1 218349505 BDXUHPBEAAKQFY-GFCCVEGCSA-N 299.330 1.446 70 50 CDIA CC(C)(C)OC(=O)N1CC[C@H]1CCS(=O)(=O)F 2325904025 GRXSPTXWYRQUAA-QMMMGPOBSA-N 267.322 1.685 70 50 CDIA Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2ccncc2)o1 217663511 MHVWWFHGRIEVIX-SNVBAGLBSA-N 274.276 1.056 70 50 CDIA biogenic CSCC[C@@H](CO)NC(=O)c1cc(CCC(C)C)n[nH]1 218242903 FDPJIYLWICEWOI-LBPRGKRZSA-N 299.440 1.842 70 50 CDIA C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]12 217427462 WCFFSIHYUQAEPU-HBCZOZSTSA-N 299.282 1.248 70 50 CDIA C[C@@H](N)C(=O)N1C[C@@H](c2ccccc2Cl)OC[C@H]1C 159836324 XPRIDRFWKZHZEQ-BREBYQMCSA-N 282.771 1.976 70 50 CDIA COc1cc2c(cc1OC)CCN(S(=O)(=O)F)CC2 1875373719 LVXVJRLMAXUNFV-UHFFFAOYSA-N 289.328 1.319 70 50 CDIA CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(C(C)C)n[nH]1 218129322 RJOLKCUEKZNUBR-BXKDBHETSA-N 253.346 1.670 70 50 CDIA Cc1cc(CC(=O)NC[C@@H]2CCN(C3CCCC3)C2)on1 218425748 UIWFAEGIBJJWKC-ZDUSSCGKSA-N 291.395 1.906 70 50 CDIA C[C@H](C(=O)N(C)C)N(C)Cc1cc(CN(C)C)cs1 218633733 QLMDYGYREHIRFR-LLVKDONJSA-N 283.441 1.718 70 50 CDIA C[C@@H](c1ccon1)N(C)C(=O)C(=O)c1cccnc1 217104897 NBILQHORFWECKB-VIFPVBQESA-N 259.265 1.472 70 50 CDIA COc1ccc(S(=O)(=O)F)cc1C(=O)N(C)C 675063643 ZQZHHVBKJOLSLU-UHFFFAOYSA-N 261.274 1.055 70 50 CDIA Cc1cc2c(c(=O)[nH]1)[C@H](c1cccc(O)c1)CC(=O)O2 217812232 MZZJZPVPEXSURS-NSHDSACASA-N 271.272 1.830 70 50 CDIA biogenic CC[C@@H]1CCCCN1CC(=O)N(C)Cc1cnccn1 218101553 FEZOWGYUCMNIAV-CQSZACIVSA-N 276.384 1.700 70 50 CDIA O=C(Cn1cccn1)Nc1ccc(OS(=O)(=O)F)cc1 1875374485 SMQBAJDDQGVKDD-UHFFFAOYSA-N 299.283 1.115 70 50 CDIA COC(=O)c1cc(OS(=O)(=O)F)c2ccoc2c1 1875378715 CQPJUVKBIZXIRH-UHFFFAOYSA-N 274.225 1.813 70 50 CDIA CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Cl)c1C 95681621 IRBVAHDFENUACC-UHFFFAOYSA-N 265.718 1.736 70 50 CDIA CN(C)c1ccc(CC(=O)N2CCO[C@H](C3CC3)C2)cc1 216925091 FUAIWBNDVPXKHD-INIZCTEOSA-N 288.391 1.933 70 50 CDIA CCOC(=O)[C@H]1[C@H]2C[C@H](S(=O)(=O)F)CC[C@H]21 675050612 BVFBVEYAMDVOSS-LURQLKTLSA-N 250.291 1.264 70 50 CDIA COc1ccccc1CNc1cc(C2CC(N)C2)nc(N)n1 218739246 XDPFETLYIWNPED-UHFFFAOYSA-N 299.378 1.884 70 50 CDIA COC(=O)[C@@H]1CCCc2cc(OS(=O)(=O)F)ccc21 1875374466 RPHOYONNAACNHN-LLVKDONJSA-N 288.296 1.873 70 50 CDIA Cc1ccccc1[C@H](O)CNC(=O)[C@@H]1CCCNC1 159843368 IXMVTVIMDNGKTC-TZMCWYRMSA-N 262.353 1.144 70 50 CDIA COc1ccc([C@H]2C[C@@H](C)N(C(=O)[C@@H](C)N)C2)cc1 161311272 QNQAVPCXMIRZSD-WZRBSPASSA-N 262.353 1.747 70 50 CDIA O=S(=O)(F)c1ccnc(Br)c1F 1535545198 CHGSZPKEPMZNMK-UHFFFAOYSA-N 258.043 1.641 70 50 CDIA CCc1nc(CN(Cc2cccnc2)C2CC2)n[nH]1 159587439 VJCGQBBPRISOLC-UHFFFAOYSA-N 257.341 1.927 70 50 CDIA O=C(Cc1ccncc1)N1CCC(n2cnnc2)CC1 217747588 UBJNQMZRIXOUHC-UHFFFAOYSA-N 271.324 1.079 70 50 CDIA O=C(c1cccs1)N1CCC[C@@H](CS(=O)(=O)F)C1 521397061 VTFLFFYFXRUXFB-SECBINFHSA-N 291.369 1.900 70 50 CDIA CC(C)n1cccc1C(=O)N1CCN(c2ncccn2)CC1 160385965 UVLDZZAYYQKDSL-UHFFFAOYSA-N 299.378 1.821 70 50 CDIA COC(=O)Nc1nc(C)c(S(=O)(=O)Cl)s1 129967748 FFVKKVLKBSOQLV-UHFFFAOYSA-N 270.719 1.557 70 50 CDIA O=S(=O)(F)c1nccc(Br)c1F 1772716602 HZFYPPVSAMDMEQ-UHFFFAOYSA-N 258.043 1.641 70 50 CDIA Cc1cc(=O)cc(C(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3N(C)C)o1 217592218 LFSVMJYZVOVZHA-JYAVWHMHSA-N 290.363 1.360 70 50 CDIA CN(CCc1cnn(C)c1)C(=O)c1n[nH]c2ccccc12 217129806 CPWGNJRTVLWPJW-UHFFFAOYSA-N 283.335 1.611 70 50 CDIA OCCOCCNc1ncc(Cl)cc1Br 159587528 GPKSXEQZCBAJNU-UHFFFAOYSA-N 295.564 1.918 70 50 CDIA O=C(CCCn1cccn1)N[C@H](CO)c1ccccc1 218138989 AXPHWRYFSYZOGX-CQSZACIVSA-N 273.336 1.513 70 50 CDIA CC1(C)C(=O)Nc2ccc(S(=O)(=O)Cl)cc21 100061472 ZSQGKDCXTIYZSF-UHFFFAOYSA-N 259.714 1.844 70 50 CDIA in-vitro COCCc1noc([C@H](C)NC(=O)Cc2cccnc2)n1 218166427 UBQNRLUWHZYIFM-JTQLQIEISA-N 290.323 1.073 70 50 CDIA CC(C)Nc1cc(N2CCn3nc(CO)cc3C2)ncn1 217174906 XHLGRSJKPSYLDV-UHFFFAOYSA-N 288.355 1.006 70 50 CDIA Cc1ccnn1CC(=O)N(C)CC[C@H]1CCCCO1 217800409 NEIWZUCSBLOYHS-CYBMUJFWSA-N 265.357 1.609 70 50 CDIA O=C(c1ccncc1)c1ccc(OS(=O)(=O)F)cc1 1875374165 CZXQAAAHPYYWFS-UHFFFAOYSA-N 281.264 1.906 70 50 CDIA Cn1cncc1CN1CCN(c2cccnc2)CC1 217605964 YPCZSDKXESELDB-UHFFFAOYSA-N 257.341 1.137 70 50 CDIA COc1ccccc1-n1cc(S(=O)(=O)F)cn1 675063563 WUCLCEXZOSQENY-UHFFFAOYSA-N 256.258 1.539 70 50 CDIA Cc1nc(-c2ccc(OS(=O)(=O)F)cc2)no1 1875389946 SMKMXVHSSCPCDX-UHFFFAOYSA-N 258.230 1.638 70 50 CDIA CSCC(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1 218287095 SIEWDBUCOZKNPJ-KGLIPLIRSA-N 295.404 1.840 70 50 CDIA Cc1oncc1C(=O)NCCc1nc(C2CC2)no1 217644877 KGIRRPLRVFAAMK-UHFFFAOYSA-N 262.269 1.216 70 50 CDIA CC(C)c1cc(C(=O)N(C)Cc2cnccn2)nc(N)n1 217510989 UBZNJKFGSMXGFK-UHFFFAOYSA-N 286.339 1.244 70 50 CDIA Cc1nnc(-c2cccc(S(=O)(=O)Cl)c2)o1 95676447 IZKQGEKIDKCBSX-UHFFFAOYSA-N 258.686 1.973 70 50 CDIA CSCC[C@H](O)C(=O)N(C)Cc1ncccc1C 217019278 JCPZULRKIWUESU-LBPRGKRZSA-N 268.382 1.462 70 50 CDIA Cc1cc(C(=O)NC[C@@H]2CN(C)C(=O)CO2)ccc1Cl 218338421 ZYYILIMTICLOOT-LLVKDONJSA-N 296.754 1.235 70 50 CDIA O=C(c1ccccc1OC[C@@H]1CCCO1)N1CCNCC1 159442533 NXTQRSNXORLGJK-ZDUSSCGKSA-N 290.363 1.290 70 50 CDIA O=C(c1cccs1)N1CCC(CS(=O)(=O)F)CC1 1615056666 MAYXJBRPWTUUED-UHFFFAOYSA-N 291.369 1.900 70 50 CDIA CC(C)(C)OC(=O)NCc1ocnc1CS(=O)(=O)F 1857779456 VHUNPHDLENFHTP-UHFFFAOYSA-N 294.304 1.499 70 50 CDIA O=C(c1ccsc1)N1CCn2nc(CO)cc2C1 217675818 WIBBUAVLWRKYNC-UHFFFAOYSA-N 263.322 1.093 70 50 CDIA CCS[C@H](C)C(=O)NCCc1nnc(C)s1 218292695 UQRDDNSNCBZRCR-SSDOTTSWSA-N 259.400 1.647 70 50 CDIA COC(=O)/C=C/c1ccccc1S(=O)(=O)Cl 97944272 NQASWXYNCVSZDK-VOTSOKGWSA-N 260.698 1.800 70 50 CDIA COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1S(=O)(=O)F 1875368271 FKOZCZNEVZPWBY-GHMZBOCLSA-N 293.360 1.645 70 50 CDIA COc1cc(OC)nc(NC[C@@H]2CCN(C(C)C)C2)n1 159777114 MZPZVKVIYZXUID-NSHDSACASA-N 280.372 1.636 70 50 CDIA CC(C)[C@H]1OCC[C@@H]1CN[C@@H](C)CCn1cncn1 160782559 KCTDEXSVGMHNLS-BFHYXJOUSA-N 266.389 1.707 70 50 CDIA CCOc1ccc(NC(C)=O)cc1S(=O)(=O)F 675063904 SQDWHPKMTBYWJJ-UHFFFAOYSA-N 261.274 1.702 70 50 CDIA CNC(=O)[C@H](NC(=O)CCC(F)(F)F)c1ccccc1 218667358 LTBHHXDNDRZYDW-LLVKDONJSA-N 288.269 1.932 70 50 CDIA Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccnn1C(C)C)CC(=O)O2 218198236 ZZQWHVXRIURRFJ-SNVBAGLBSA-N 287.319 1.902 70 50 CDIA CC(=O)N1CC(Nc2ccc3nsnc3c2)=CC1=O 218501493 OEZJRTBOBSQYCI-UHFFFAOYSA-N 274.305 1.376 70 50 CDIA COCCOCC(=O)NCc1ccc2c(c1)nc(C)n2C 218112067 GDJPJKUVWJHUIK-UHFFFAOYSA-N 291.351 1.161 70 50 CDIA COCCN1C[C@@H](Cc2ccc3c(c2)OCO3)CC1=O 218270529 FNCSRVONYJUDBS-LBPRGKRZSA-N 277.320 1.453 70 50 CDIA CN1C[C@]2(CCCN(C(=O)Cc3cccnc3)C2)OC1=O 217036807 LTBVHEXASSDJIC-HNNXBMFYSA-N 289.335 1.067 70 50 CDIA O=C(c1cccs1)N1CCC[C@H](CS(=O)(=O)F)C1 521397062 VTFLFFYFXRUXFB-VIFPVBQESA-N 291.369 1.900 70 50 CDIA NC[C@H]1CCCN1C(=O)COCc1ccccc1Cl 160139901 BXAGUKGCPVTTEM-GFCCVEGCSA-N 282.771 1.806 70 50 CDIA C[N+]1(CCN=C=NC2CCCCC2)CCOCC1 6844452 SETJXCABXAYTRL-UHFFFAOYSA-N 252.382 1.970 70 50 CDIA in-vitro Cc1ncsc1CCN(C)C(=O)c1cnc[nH]1 217084769 XDPHQNGNGRCCFK-UHFFFAOYSA-N 250.327 1.489 70 50 CDIA CCN1CCC[C@@H]1CNC(=O)c1cc(-c2ccncc2)n[nH]1 218292163 RYNWQHNJSNXTGI-CYBMUJFWSA-N 299.378 1.686 70 50 CDIA COc1ccc(Cl)cc1CC(=O)N1CC[C@@H](N)C1 160182500 QIIWAMGULHMSRQ-LLVKDONJSA-N 268.744 1.451 70 50 CDIA Cn1nc(C2CC2)c2cc(S(=O)(=O)F)cnc21 675065280 BDAQCJDCVAJORV-UHFFFAOYSA-N 255.274 1.504 70 50 CDIA CCc1ccc(C(=O)NCc2ccc(C(=O)NC)o2)[nH]1 218101427 KEHGWRJKZWGFQQ-UHFFFAOYSA-N 275.308 1.460 70 50 CDIA CC(C)[C@@H](CO)NC(=O)c1cc(-c2ccccn2)[nH]n1 218415184 GZMFGQZEMIPLFY-CYBMUJFWSA-N 274.324 1.218 70 50 CDIA CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(CC(C)C)nn1C 218217213 SHWQQPOMKPDJIA-DGCLKSJQSA-N 281.400 1.755 70 50 CDIA Cc1c(N)cccc1OS(=O)(=O)C(F)(F)F 97972949 CCISASOLGXQFEM-UHFFFAOYSA-N 255.217 1.806 70 50 CDIA O=C(O)c1cc(S(=O)(=O)Cl)c(F)cc1F 82224898 FPZITNFVVXGXQS-UHFFFAOYSA-N 256.613 1.591 70 50 CDIA in-vitro Cc1noc(C)c1C(=O)N1CCO[C@@H](c2cccnc2)C1 218351901 ACROASPEWYXPBR-CYBMUJFWSA-N 287.319 1.900 70 50 CDIA C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CS(=O)(=O)F)C1 521396987 DGGWBXFRBOCJGC-KXUCPTDWSA-N 263.334 1.180 70 50 CDIA Cc1n[nH]c([C@H]2CCCN2C(=O)Cc2ccncc2)n1 217844481 HGQZDCGLSIYQEQ-GFCCVEGCSA-N 271.324 1.414 70 50 CDIA CO[C@@H]1CCOC[C@H]1NC(=O)COCc1ccccc1 218493560 IOLUPNCOYOIGMG-ZIAGYGMSSA-N 279.336 1.123 70 50 CDIA CC(=O)Nc1cccc2c1CN(S(=O)(=O)F)CC2 1875375187 UGPYYDIBWXUYPN-UHFFFAOYSA-N 272.301 1.217 70 50 CDIA Cc1cccnc1NCCNc1cc(C2CC(N)C2)ncn1 218570920 SBTIXRFIWFHHDO-UHFFFAOYSA-N 298.394 1.909 70 50 CDIA O=S(=O)(F)c1ccc(S(=O)(=O)N2CCCC2)cc1 159125527 XMSREVQWSNKVJA-UHFFFAOYSA-N 293.341 1.129 70 50 CDIA CN(CC(=O)N[C@H]1C[C@@H]2OCC[C@H]12)Cc1ccccc1F 218306422 ZNMMWGURJZHPAW-SNPRPXQTSA-N 292.354 1.551 70 50 CDIA Cc1cc(C)n2nc(C)c(S(=O)(=O)Cl)c2n1 205362072 FOSSPZKUKVJSHO-UHFFFAOYSA-N 259.718 1.582 70 50 CDIA O=C(O)c1cc(S(=O)(=O)Cl)ccc1Cl 72399589 CLHNTBSDCJLCKV-UHFFFAOYSA-N 255.078 1.966 70 50 CDIA in-vitro N[C@H]1CC[C@@H](C(=O)NCc2cnn3ccccc23)C1 216981622 YHRWAAIUIYPRLR-PWSUYJOCSA-N 258.325 1.078 70 50 CDIA CCc1ncnc(N[C@H](C)CN2CCOCC2)c1F 217974489 JNKIONWTKAABBE-SNVBAGLBSA-N 268.336 1.311 70 50 CDIA CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)Cl 536949756 XXLKLAKSJYMHKV-SNVBAGLBSA-N 266.721 1.952 70 50 CDIA COc1cc(CN(C)C)ccc1OS(=O)(=O)F 1875390111 ZIGSBZJVRVWRPX-UHFFFAOYSA-N 263.290 1.350 70 50 CDIA Cc1ccc2c(c1)C[C@H](C(=O)NCCc1cn[nH]c1)N2 217885660 RCZJAWZWTSSBCW-CQSZACIVSA-N 270.336 1.414 70 50 CDIA Cc1cc(C(=O)NCCc2ccncc2)cc(=O)[nH]1 217950020 LZSFGXBEIYSICI-UHFFFAOYSA-N 257.293 1.051 70 50 CDIA Cc1oncc1C(=O)NCCc1noc([C@@H]2CCCO2)n1 217048749 UHFFXNBUOJNYMZ-JTQLQIEISA-N 292.295 1.190 70 50 CDIA O=C1N[C@@]2(CCSC2)C(=O)N1Cc1nccs1 161178488 XPZOQAIGKNJONM-SNVBAGLBSA-N 269.351 1.071 70 50 CDIA COc1ccc(CC(=O)N2CCC[C@@H]2CN)c(Cl)c1 160304463 RWMDKXIDBXFYQK-LLVKDONJSA-N 282.771 1.841 70 50 CDIA O=C(CCc1cccc(F)c1)N1C[C@@H]2CC[C@H](C1)[C@@H]2O 217392213 HZZGPSDHWGNLLX-VIKVFOODSA-N 277.339 1.988 70 50 CDIA Cn1cccc1C(=O)NCCc1nc(-c2cccnc2)n[nH]1 218743622 HFAXBEUFTIQJQE-UHFFFAOYSA-N 296.334 1.178 70 50 CDIA Cc1cc(F)ccc1CN1CCN(C)[C@@H](CO)C1 217179865 PWYHBMSDISNSQD-CQSZACIVSA-N 252.333 1.242 70 50 CDIA C[C@H](C(=O)Nc1cncc(OS(=O)(=O)F)c1)C1CC1 1875387863 BCSQYBOETVLRDN-ZETCQYMHSA-N 288.300 1.659 70 50 CDIA CC[C@@H](NC(=O)c1cnc[nH]c1=O)c1nc(C)c(C)s1 218309913 VHRODICIFZDKPK-SNVBAGLBSA-N 292.364 1.724 70 50 CDIA O=S(=O)(Cl)c1cnn(Cc2ccccc2)c1 59312421 HGMRBJPAOYCPEM-UHFFFAOYSA-N 256.714 1.859 70 50 CDIA in-vitro Cc1nccn1CCC(=O)N[C@@H](C)CCn1cccn1 218517688 UCQXOHQWSZKWHR-LBPRGKRZSA-N 275.356 1.373 70 50 CDIA COc1ccc(CNC(=O)[C@@H]2CC(=O)OC2(C)C)cc1 218033362 OBHQRQUDIVRVHD-LBPRGKRZSA-N 277.320 1.653 70 50 CDIA biogenic CCN(CCn1cccn1)C(=O)CCc1cccnc1 218120725 PYPAOHUNFYWGLW-UHFFFAOYSA-N 272.352 1.759 70 50 CDIA CC(=O)N1CC(Nc2ccc3c(C)cc(=O)oc3c2)=CC1=O 218043701 VSQTZBWKXBXCKL-UHFFFAOYSA-N 298.298 1.786 70 50 CDIA biogenic Cc1ncsc1CCNC(=O)c1n[nH]c(N)c1Cl 217598995 QFWCNWNAOCVTRO-UHFFFAOYSA-N 285.760 1.383 70 50 CDIA CCNc1nnc(SCc2ccnn2C)s1 161300985 XQIKCZAVLTZECG-UHFFFAOYSA-N 255.372 1.996 70 50 CDIA Cn1cc(COc2ccc(OS(=O)(=O)F)cc2)cn1 1875374463 RKHJBUKGYRDHRH-UHFFFAOYSA-N 286.284 1.592 70 50 CDIA CC1(CNC(=O)[C@H](O)c2cccc(Cl)c2)COC1 217125107 HJCJBNZUZWJNHB-LLVKDONJSA-N 269.728 1.526 70 50 CDIA CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)C(=O)C2 59699273 BGABKEVTHIJBIW-GMSGAONNSA-N 250.747 1.950 70 50 CDIA Cc1cnccc1CNC(=O)[C@H](C)Cn1cccn1 218472583 BKYMNVHAPLKIEV-GFCCVEGCSA-N 258.325 1.539 70 50 CDIA CC[C@@H](C)[C@@H](CO)NC(=O)CCc1cc(OC)no1 217805712 YXDVDNYLPRHKFJ-MWLCHTKSSA-N 270.329 1.139 70 50 CDIA biogenic O=S(=O)(Cl)c1cnn2ccc(Cl)nc12 306421815 DZUYDNXBKGPLJW-UHFFFAOYSA-N 252.082 1.310 70 50 CDIA O=C(Cc1ccsc1)NC[C@@H]1CCCCCN1 218782424 JVXQONPLXREOHD-LBPRGKRZSA-N 252.383 1.939 70 50 CDIA CO[C@@H](C)c1noc(Cn2cnc(C(C)C)cc2=O)n1 160854491 VSYLPJLMIPXAJP-VIFPVBQESA-N 278.312 1.505 70 50 CDIA C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)[C@@H](C)N 159836714 XPRIDRFWKZHZEQ-OPQQBVKSSA-N 282.771 1.976 70 50 CDIA O=C1COc2c1cc(S(=O)(=O)Cl)c1cccnc21 59530752 KBILWKHGUYRKIA-UHFFFAOYSA-N 283.692 1.737 70 50 CDIA O[C@@H]1CCOC[C@H]1Nc1ncnc2ccsc12 217490297 VBOZPIRFPCLOEO-RKDXNWHRSA-N 251.311 1.253 70 50 CDIA CC1(CNC(=O)[C@H]2CCc3ccccc3C2)COC1 217017170 ZDLRIGVQDMTFBP-AWEZNQCLSA-N 259.349 1.944 70 50 CDIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)C1=Cc2ccccc2OC1 218349586 BDXUHPBEAAKQFY-LBPRGKRZSA-N 299.330 1.446 70 50 CDIA Cc1cc(C)nc(NCC(=O)NCCc2ccncc2)n1 218273086 UKRNPYMUBHCJQZ-UHFFFAOYSA-N 285.351 1.259 70 50 CDIA O=C(N[C@@H]1C=CCC1)c1cncc(OS(=O)(=O)F)c1 1875385078 MLLBCYKIQFDVFH-SECBINFHSA-N 286.284 1.123 70 50 CDIA CN1C[C@H](CN(C)C(=O)c2sccc2Cl)CC1=O 217080549 ZZQKWIQJVVSZPX-MRVPVSSYSA-N 286.784 1.952 70 50 CDIA OCc1cc2n(n1)CCN(CCc1c[nH]c3ccccc13)C2 217828623 TVJFNTOAVYYPCA-UHFFFAOYSA-N 296.374 1.915 70 50 CDIA C[C@H](N)C(=O)N1[C@@H](C)[C@H](c2ccccc2)OC[C@H]1C 159547708 COFJXYQBTCAEFS-OWTLIXCDSA-N 262.353 1.711 70 50 CDIA CC(C)(C)OC(=O)N1CCC(S(=O)(=O)F)CC1 675050917 ALXDXTYJLZPTAG-UHFFFAOYSA-N 267.322 1.685 70 50 CDIA CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(C(C)C)nn1C 218377187 UCQDEZOEFZOREP-ZYHUDNBSSA-N 267.373 1.680 70 50 CDIA O=C(NCC[C@@H]1COc2ccccc2O1)c1cnc[nH]1 217062742 VKIVOSAKFMEOQA-SNVBAGLBSA-N 273.292 1.370 70 50 CDIA Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Cl 100503387 UAPXGQGQLFOWOC-UHFFFAOYSA-N 268.743 1.326 70 50 CDIA CC(=O)N1C[C@@H](C)Oc2ccc(S(=O)(=O)Cl)cc21 100648357 DHCMABHNRHWHSV-SSDOTTSWSA-N 289.740 1.748 70 50 CDIA COc1cccc(OC)c1OS(=O)(=O)C(F)(F)F 100413299 MMOZMBDXJRPZLZ-UHFFFAOYSA-N 286.227 1.932 70 50 CDIA CCCn1ncnc1[C@@H](C)NC(=O)c1ncccc1O 218721193 OLQJYIMDPKIYSJ-SECBINFHSA-N 275.312 1.280 70 50 CDIA Cc1nc(N)nc(N[C@H]2C[C@@H]3OCC[C@H]23)c1Cl 218063622 TWSFKZFWQWUHSY-CSMHCCOUSA-N 254.721 1.610 70 50 CDIA O=C(OCCNc1cccnn1)[C@@H]1OCCc2ccccc21 161105163 TZXLCMOEJSBGGW-OAHLLOKOSA-N 299.330 1.746 70 50 CDIA CO[C@@H]1COCC[C@H]1NC(=O)c1cccc(N(C)C)c1 218176591 YMVVHJOCKJRTKB-ZIAGYGMSSA-N 278.352 1.286 70 50 CDIA CCSc1ccc(C(=O)N[C@@H](C)c2n[nH]c(=O)[nH]2)s1 217699495 VZCZMBXXUJLWLM-LURJTMIESA-N 298.393 1.763 70 50 CDIA COC[C@H]1CCN(C(=O)C2(Cn3ccnc3)CC2)C1 218181670 JPKOGUNKNPVRAJ-LBPRGKRZSA-N 263.341 1.158 70 50 CDIA O=C(Cc1cccs1)N1CCn2nc(CO)cc2C1 216927090 XUGZYBCJSHJGHN-UHFFFAOYSA-N 277.349 1.022 70 50 CDIA O=C1CC[C@H](c2ccc(OS(=O)(=O)F)cc2)N1 1875374507 UIJIKYIWROHSRJ-SECBINFHSA-N 259.258 1.231 70 50 CDIA CS(C)(=O)=Nc1ccccc1OS(=O)(=O)F 1875376099 ZTSKSQCEVMQGRO-UHFFFAOYSA-N 267.303 1.639 70 50 CDIA O=S(=O)(F)Oc1ccccc1Oc1ncccn1 1875378729 CYKBNPPVZVLTNE-UHFFFAOYSA-N 270.241 1.862 70 50 CDIA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1ncoc1C 218063797 KBXXGYFTPTZWAS-OLZOCXBDSA-N 294.351 1.853 70 50 CDIA COC[C@H]1CCN(C(=O)c2cc(C)n(C)c2C)C1 218364450 YSKAKLIOZPBSHW-LBPRGKRZSA-N 250.342 1.750 70 50 CDIA Cc1ncsc1CCN(C)C(=O)C(=O)c1cccn1C 217205998 AGYQZORKFKAYKW-UHFFFAOYSA-N 291.376 1.674 70 50 CDIA Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)Cl 206109671 MWCZNNCSOIDVJP-UHFFFAOYSA-N 284.724 1.673 70 50 CDIA Cc1nn(C)c(Cl)c1CN(C)S(=O)(=O)F 1875375300 YBHUTAFREDAMTA-UHFFFAOYSA-N 255.702 1.028 70 50 CDIA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1cccc(N)n1)C2 217075685 BSCMVJBLOHIKCQ-IWIIMEHWSA-N 261.325 1.161 70 50 CDIA CCC(=O)N1CC[C@@H](C(=O)Nc2cc(Cl)ccn2)C1 161451186 CSGHEMXZEKFNMB-SECBINFHSA-N 281.743 1.932 70 50 CDIA COc1ccccc1/C=C/CN1CCn2nc(CO)cc2C1 217198307 SXBIXQJRRLEGBF-GQCTYLIASA-N 299.374 1.913 70 50 CDIA CC(C)(C)CC(C)(C)NC(=O)N[C@@H]1CCOC[C@H]1O 218745614 YEMKTAZJNMTJIP-GHMZBOCLSA-N 272.389 1.650 70 50 CDIA CC(=O)N1CC(Nc2cccc(C(=O)NC3CC3)c2)=CC1=O 218597800 WGGPPIIKTKCTTG-UHFFFAOYSA-N 299.330 1.263 70 50 CDIA CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Cl)C(=O)C2 100002482 BGABKEVTHIJBIW-OIBJUYFYSA-N 250.747 1.950 70 50 CDIA in-vitro C[C@H](NC(=O)COCC(F)(F)C(F)F)c1cnn(C)c1 217713916 OKADTLUSUNYMAU-ZETCQYMHSA-N 297.252 1.514 70 50 CDIA CNc1ccc(C(=O)N2C[C@H](C)N(C)[C@H](C)C2)cn1 160167742 HGQLUOIPONWUKN-PHIMTYICSA-N 262.357 1.288 70 50 CDIA CC[C@H](OC)C(=O)NCCCn1ccnc1C(C)C 218301621 OSXTZQJGARZLRL-LBPRGKRZSA-N 267.373 1.938 70 50 CDIA O=C(c1ccncc1O)N1CCC[C@H](Cn2ccnc2)C1 218671609 UJBDTPKAHPDGJW-GFCCVEGCSA-N 286.335 1.536 70 50 CDIA COCc1csc(NC(=O)Nc2ccn(C)n2)n1 161358029 ILYHNPRNVIWCPC-UHFFFAOYSA-N 267.314 1.667 70 50 CDIA Cc1cc(CC(=O)N[C@@H](c2nccn2C)C2CC2)on1 218573180 RZNMBNNSVPHQAZ-CYBMUJFWSA-N 274.324 1.527 70 50 CDIA Cc1n[nH]c([C@@H]2CCCN2C(=O)Cc2ccncc2)n1 217844393 HGQZDCGLSIYQEQ-LBPRGKRZSA-N 271.324 1.414 70 50 CDIA Cc1cc(C)n2c(C(=O)NCCc3ccncc3)nnc2n1 217196356 CZQZULKPJGOPED-UHFFFAOYSA-N 296.334 1.109 70 50 CDIA NC[C@@H]1CCCN1C(=O)Cc1cc2ccccc2[nH]c1=O 160320931 FMQNTOJHRXUEIL-ZDUSSCGKSA-N 285.347 1.020 70 50 CDIA CCc1ccccc1OCC(=O)N1CCC[C@H]1CNC 161182898 GFXOOMTYEWGSFN-AWEZNQCLSA-N 276.380 1.838 70 50 CDIA NCc1ccc(C(=O)NCCCc2ncc[nH]2)cc1 159406412 CKIKIYWAVXNANN-UHFFFAOYSA-N 258.325 1.231 70 50 CDIA COc1ccccc1CCC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 218275287 LOPCUYRUNGAEIX-LSDHHAIUSA-N 288.391 1.790 70 50 CDIA CCO[C@H](C)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1 161172428 AKEDXBJIUARVEI-CHWSQXEVSA-N 292.379 1.815 70 50 CDIA O=S(=O)(F)Oc1cncc(Br)c1 685965971 IHWCTZMNZKFQSI-UHFFFAOYSA-N 256.052 1.437 70 50 CDIA CC[C@@H](NC(=O)CCCn1cncn1)c1nc(C)c[nH]1 217881139 INUFDKOEHZSETJ-LLVKDONJSA-N 276.344 1.357 70 50 CDIA O=C(O)CCC(=O)Nc1ccc([B-](F)(F)F)cc1 214108397 QSQPPFKQTVLEIC-UHFFFAOYSA-N 260.000 1.544 70 50 CDIA Cc1c[nH]c(CN(C)C(=O)c2cc(=O)cc(C)o2)n1 216909155 YKJFSLNVKTWVMI-UHFFFAOYSA-N 261.281 1.252 70 50 CDIA COc1ccc([C@H]2C[C@H](C)N(C(=O)[C@@H](C)N)C2)cc1 161311374 QNQAVPCXMIRZSD-LOWVWBTDSA-N 262.353 1.747 70 50 CDIA COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Cl 95713457 QECYXMKYZQXEHM-UHFFFAOYSA-N 251.647 1.531 70 50 CDIA in-vitro O=C(Cc1ccc(-c2ccccc2)cc1)N[C@H]1COC[C@@H]1O 218009055 QPMBDNMOEODABA-IRXDYDNUSA-N 297.354 1.772 70 50 CDIA CC(=O)N1c2ccc(S(=O)(=O)F)cc2C[C@@H]1C 675064228 XUOQDVUZHBGVKH-ZETCQYMHSA-N 257.286 1.642 70 50 CDIA COC[C@H]1CCN(C(=O)c2cccc(N(C)C)c2)C1 218325599 QPCMPEUHOHQZCT-LBPRGKRZSA-N 262.353 1.861 70 50 CDIA Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NC(C)C 218431095 XFLJXESLWUZHQV-ZDUSSCGKSA-N 292.379 1.782 70 50 CDIA COCC[C@H]1CN(C(=O)Cc2cccc(O)c2)CCO1 218536888 AIYPRRMRRJGNJX-AWEZNQCLSA-N 279.336 1.199 70 50 CDIA Cc1n[nH]c(CN2CCCn3nc(CO)cc3C2)c1Cl 217917340 VUGMMFJPPDHTMO-UHFFFAOYSA-N 295.774 1.466 70 50 CDIA C[C@H](c1ccon1)N(C)C(=O)C(=O)c1cccnc1 217104913 NBILQHORFWECKB-SECBINFHSA-N 259.265 1.472 70 50 CDIA CO[C@@]1(C)C[C@@H](OC(=O)Cn2c(C)csc2=O)C1(C)C 159670536 GVBLFBUVPSJEKZ-YGRLFVJLSA-N 299.392 1.965 70 50 CDIA O=S(=O)(F)Oc1ccc(Oc2cnccn2)cc1 1875379184 OMLVQMMPSDMKMZ-UHFFFAOYSA-N 270.241 1.862 70 50 CDIA Nc1cc(C(F)(F)F)ccc1OS(=O)(=O)F 1875390052 OVAROELUWVWBMJ-UHFFFAOYSA-N 259.180 1.881 70 50 CDIA O=C(CCl)N[C@H]1c2ccccc2CC[C@@H]1CO 149034592 ULZQHEZREYXILL-ZWNOBZJWSA-N 253.729 1.637 70 50 CDIA CC[C@@H](OC)C(=O)NCCCn1ccnc1C(C)C 218301576 OSXTZQJGARZLRL-GFCCVEGCSA-N 267.373 1.938 70 50 CDIA Nc1nnc(CCNC(=O)CCOc2ccccc2)s1 218433469 VCGFKRXJRKZMEE-UHFFFAOYSA-N 292.364 1.248 70 50 CDIA O=C1Nc2ccc(S(=O)(=O)F)cc2C1(Cl)Cl 238852642 GTMLJZGYPWLRHW-UHFFFAOYSA-N 284.095 1.927 70 50 CDIA CCCc1cc(CN(C)C(=O)c2noc(C)c2CO)n[nH]1 217517620 ZRZHYJVUHYCDQS-UHFFFAOYSA-N 292.339 1.423 70 50 CDIA C[C@@H](N)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 159508698 YMKVJSNGJFXDTP-YGRLFVJLSA-N 296.798 1.959 70 50 CDIA COCC1(CNC(=O)c2cnc(O)cn2)CCCC1 218540840 HWCCOHNKPUUWCB-UHFFFAOYSA-N 265.313 1.119 70 50 CDIA COc1ccc([C@H](CC(N)=O)c2c(C)[nH][nH]c2=O)cc1 218371287 URFIJKQUWUUCEZ-NSHDSACASA-N 275.308 1.027 70 50 CDIA CCc1nc(C)sc1C(=O)N[C@H]1C[C@@H]2OCC[C@H]12 218195506 CTIWVCJBMKBZBP-MIMYLULJSA-N 266.366 1.921 70 50 CDIA Cc1cc2c(cc1S(=O)(=O)Cl)OCC(=O)N2 101050047 FBJMHTYNTPHUFM-UHFFFAOYSA-N 261.686 1.253 70 50 CDIA CCc1nccn1CCNC(=O)Cc1ccsc1 218084096 AHELQWTZOVEQOH-UHFFFAOYSA-N 263.366 1.866 70 50 CDIA CC(C)(C)OC(=O)N1CC(S(=O)(=O)Cl)C1 100210493 AZNUWDVFBPYWSU-UHFFFAOYSA-N 255.723 1.174 70 50 CDIA in-vitro Cc1ccc(O)c(CN2CCn3nc([C@@H](C)O)cc3C2)n1 217919916 FHERBPBMJVMOPH-LLVKDONJSA-N 288.351 1.361 70 50 CDIA COC[C@@H]1CCN(C(=O)c2cccc(N(C)C)c2)C1 218325516 QPCMPEUHOHQZCT-GFCCVEGCSA-N 262.353 1.861 70 50 CDIA O=S(=O)(Cl)c1c(Cl)ccc2nonc12 95676504 ZFBZICACMDZKNQ-UHFFFAOYSA-N 253.066 1.804 70 50 CDIA CSCCC(=O)N1CCC[C@@H](c2nnc[nH]2)C1 217156332 NKDOWQVNEBCULX-SECBINFHSA-N 254.359 1.264 70 50 CDIA CC(=O)N1CC(Nc2ccc3c(C)cc(=O)[nH]c3c2)=CC1=O 218615226 QXXIXSDAUOBTBE-UHFFFAOYSA-N 297.314 1.521 70 50 CDIA Cc1ccc(C)c(OCC(=O)N2CCC[C@H]2CN)c1 160307811 JUUCAPHCUVXHKQ-ZDUSSCGKSA-N 262.353 1.632 70 50 CDIA O=C(CCc1cc(Cl)no1)NC[C@@H]1CCCCO1 217125982 SXGBSLUUQZUBCG-JTQLQIEISA-N 272.732 1.946 70 50 CDIA COC(=O)NCCc1ccc(S(=O)(=O)Cl)s1 100491997 TWRZHJIFWONYRV-UHFFFAOYSA-N 283.758 1.574 70 50 CDIA O=C(N[C@@H]1CCOC[C@H]1O)C1(c2ccccc2F)CC1 218435421 LQWHQENTOFCGQJ-CHWSQXEVSA-N 279.311 1.123 70 50 CDIA Cc1ccc(CN(CCS(=O)(=O)F)[C@H](C)CO)s1 1875382585 HTQCGNKZFRZOQY-SECBINFHSA-N 295.401 1.539 70 50 CDIA CN(C)c1ccc(C(=O)On2nnc3ccccc32)cc1 59426275 UOITWBIZHQLMTH-UHFFFAOYSA-N 282.303 1.766 70 50 CDIA Cc1cccc(C(=O)NC[C@H](C)Oc2cccnc2)n1 218220816 JEVSBVSKOOMWJC-LBPRGKRZSA-N 271.320 1.982 70 50 CDIA Cc1n[nH]c(C)c1[C@H](C)NC(=O)Cn1ccc(=O)cc1 218007734 TWFZTQVQXIVHEQ-VIFPVBQESA-N 274.324 1.066 70 50 CDIA CC(=O)N1CC(Nc2ccc(C(N)=O)c(Cl)c2)=CC1=O 218504456 ALMIIDRPJMHQMC-UHFFFAOYSA-N 293.710 1.123 70 50 CDIA COc1cc(N[C@@H]2C[C@@H]3OCC[C@@H]32)nc(OC)n1 216953556 QBRPDSNSHOCENT-HLTSFMKQSA-N 251.286 1.083 70 50 CDIA COc1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1 100006027 OGHAPVZVXLHURO-UHFFFAOYSA-N 251.647 1.531 70 50 CDIA Cc1nc(C(C)C)sc1C(=O)N[C@@H]1CCOC[C@H]1O 218587748 UMSRAMQNZHUCJZ-NXEZZACHSA-N 284.381 1.455 70 50 CDIA COc1ccnc(CNC(=O)COC[C@@H]2CCCCO2)c1 217814205 RICINMLSBKVCCT-AWEZNQCLSA-N 294.351 1.292 70 50 CDIA O=C(CCC(F)(F)F)NCCc1noc(C2CC2)n1 218770146 BSKFWLYIGRHZAD-UHFFFAOYSA-N 277.246 1.948 70 50 CDIA CCc1cc(CNC(=O)CC[C@@H](C)N2CCOCC2)on1 218745753 BAGWXDRDRFVHIA-GFCCVEGCSA-N 295.383 1.354 70 50 CDIA CO[C@@H]1COCC[C@H]1NC(=O)Cc1noc2ccccc12 218639303 XBQIEPOLHUWXSI-BXUZGUMPSA-N 290.319 1.290 70 50 CDIA C[C@@H](Cc1cccnc1)NC(=O)CN(C)Cc1cccnc1 217899819 LXFBXTPSZDMIDG-AWEZNQCLSA-N 298.390 1.656 70 50 CDIA c1csc(CN2CCN(C[C@@H]3[C@H]4CNC[C@H]43)CC2)c1 217154203 BTSCNPLILYNLCJ-FICVDOATSA-N 277.437 1.331 70 50 CDIA C[C@H](NC(=O)c1cnc[nH]1)c1nc(-c2cccnc2)no1 218185421 QRASYMZSCXZBJN-QMMMGPOBSA-N 284.279 1.346 70 50 CDIA Cc1ccccc1[C@H]1CN(C(=O)CCN)[C@H](C)CO1 161467747 VBWJZMQXVUUYKV-TZMCWYRMSA-N 262.353 1.632 70 50 CDIA O=[N+]([O-])c1ccc(OS(=O)(=O)C(F)(F)F)c(F)c1 100541986 WZLYBEMTSGJUCV-UHFFFAOYSA-N 289.162 1.962 70 50 CDIA CN(Cc1ccon1)C(=O)CCC(=O)NC1CCCC1 217717307 CKQYSGYWCYFYNL-UHFFFAOYSA-N 279.340 1.472 70 50 CDIA Cc1cccnc1CN(C)C(=O)c1ncccc1O 217123411 XUOJIRVQSJYFHT-UHFFFAOYSA-N 257.293 1.763 70 50 CDIA Cc1n[nH]c(C)c1[C@H](C)NC(=O)c1ccc2[nH]nnc2c1 217172081 ADGLSZPQEWXFQR-ZETCQYMHSA-N 284.323 1.789 70 50 CDIA CO[C@]1(C)C[C@@H](OC(=O)Cn2c(C)csc2=O)C1(C)C 159670299 GVBLFBUVPSJEKZ-QMTHXVAHSA-N 299.392 1.965 70 50 CDIA COCC(C)(C)C(=O)Nc1cnc(N(C)C)nc1 161497044 VHRAPLANDLMTEB-UHFFFAOYSA-N 252.318 1.154 70 50 CDIA O=C(N[C@@H]1CCSc2ccccc21)[C@@H]1C[C@@H](O)CN1 217738950 ZSZXHLQHZWSGMV-JLLWLGSASA-N 278.377 1.063 70 50 CDIA COC(=O)[C@H](C)N(C)Cc1cccc(N(C)C)c1 159791148 VGADYXPGUWTPTI-NSHDSACASA-N 250.342 1.746 70 50 CDIA COC[C@H]1CCN(C(=O)c2c(C)cc(C)[nH]c2=O)C1 217561310 CPTYOTVHBUWKHL-NSHDSACASA-N 264.325 1.100 70 50 CDIA CC[C@H](Cn1ccnc1)NC(=O)c1ccncc1O 218286984 SAWKJFBZDOZCRQ-SNVBAGLBSA-N 260.297 1.192 70 50 CDIA COc1ccc(S(=O)(=O)N[C@H]2C[C@@H]3OCC[C@H]23)cc1 218062264 COYHEVKFUFVMOT-AGIUHOORSA-N 283.349 1.151 70 50 CDIA CC(=O)N1CCc2cc(S(=O)(=O)Cl)ccc21 32098670 QNFXLCHANYHGIF-UHFFFAOYSA-N 259.714 1.523 70 50 CDIA Cc1cc(NC(=O)CCn2ccc3occc3c2=O)no1 161402474 VUOHFXKMMVOZGS-UHFFFAOYSA-N 287.275 1.920 70 50 CDIA Cc1c(C(=O)N2CCNCC2)c(O)nc2ccccc12 159363495 ZTJAPDBUJLTXSN-UHFFFAOYSA-N 271.320 1.294 70 50 CDIA CS(=O)(=O)c1cc(S(=O)(=O)Cl)c(Cl)s1 100470882 HIIURPCOJNWBNU-UHFFFAOYSA-N 295.190 1.733 70 50 CDIA COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Cl 100380532 DSSUHBJSDMHACJ-UHFFFAOYSA-N 251.647 1.531 70 50 CDIA CCO[C@@H]1COCC[C@H]1NC(=O)c1n[nH]c2c1CCCC2 218297388 YPAXAVXDURCLAJ-CHWSQXEVSA-N 293.367 1.212 70 50 CDIA O=C(c1ccsc1)N1CCC[C@](O)(CO)CC1 216993389 STGCFFQDQHJIRU-GFCCVEGCSA-N 255.339 1.098 70 50 CDIA Cc1ccn(CCC(=O)N[C@@H](C)c2nnc(C)o2)n1 218374756 XUGLKJZDLCNVNK-VIFPVBQESA-N 263.301 1.150 70 50 CDIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)c1cncnc1 1875385314 QTPBUPPPMYHJQF-UHFFFAOYSA-N 297.267 1.322 70 50 CDIA O=C(N[C@H]1C=CCC1)c1cncc(OS(=O)(=O)F)c1 1875385079 MLLBCYKIQFDVFH-VIFPVBQESA-N 286.284 1.123 70 50 CDIA C[C@@H](c1ccncn1)N(C)C(=O)Cc1ccccn1 217724954 IRVMMCBZYHQAKI-NSHDSACASA-N 256.309 1.634 70 50 CDIA Cc1cncnc1C1CCN(C(=O)Cc2cnccn2)CC1 217860743 JQSXMKJWSYJZLV-UHFFFAOYSA-N 297.362 1.524 70 50 CDIA O=C1CCN(C(=O)[C@H]2CCc3ccccc3C2)CCN1 217540316 MNSMVNNHCLGPKJ-AWEZNQCLSA-N 272.348 1.140 70 50 CDIA CO[C@@H]1COCC[C@H]1NC(=O)C1(c2ccc(C)cc2)CC1 218163075 NVBJNUZZMANLPC-HUUCEWRRSA-N 289.375 1.947 70 50 CDIA O=C(c1cccs1)N1CCC(S(=O)(=O)F)CC1 1615002076 DGGSJLKAJDBIKG-UHFFFAOYSA-N 277.342 1.652 70 50 CDIA O=S(=O)(F)CCN(Cc1ccccc1)[C@@H]1CCOC1 1875382962 ZEBARFRHWUUBQX-CYBMUJFWSA-N 287.356 1.577 70 50 CDIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cc(F)c(F)c(F)c1 218168018 MYPWEJKNILUVGC-ZETCQYMHSA-N 299.252 1.436 70 50 CDIA COc1ccc(CC(=O)O)cc1S(=O)(=O)Cl 100112512 FYIDPDFPNMMBIH-UHFFFAOYSA-N 264.686 1.250 70 50 CDIA in-vitro COc1c(F)cc(C(=O)N[C@H]2CCNC2)cc1F 218517089 SUOCPIRKZBGITA-QMMMGPOBSA-N 256.252 1.065 70 50 CDIA C=C[Si](O[SiH](C)C)(O[SiH](C)C)O[SiH](C)C 169945506 XQIZMIMBOWVMCX-UHFFFAOYSA-N 280.621 1.651 70 50 CDIA Cc1nc(-c2cccc(OS(=O)(=O)F)c2)no1 1875374289 JAZAXLNQSGVOLC-UHFFFAOYSA-N 258.230 1.638 70 50 CDIA COc1cn(CC(=O)Nc2nc(C)cs2)c(C)cc1=O 218413090 CPQHTBKZNVEFAZ-UHFFFAOYSA-N 293.348 1.569 70 50 CDIA CC[C@H](NC(=O)CCCn1cncn1)c1nc(C)c[nH]1 217881220 INUFDKOEHZSETJ-NSHDSACASA-N 276.344 1.357 70 50 CDIA CO[C@H]1CCN(C(=O)CSc2ccccn2)C1 218035445 GFXKDJHNNLVFTO-JTQLQIEISA-N 252.339 1.421 70 50 CDIA Cc1cc(C(=O)NCc2cnc3cnccn23)nc(C)n1 217782737 SDHSBKIQLBAASM-UHFFFAOYSA-N 282.307 1.066 70 50 CDIA Cc1nccn1CCC(=O)NCc1cncn1CC(C)C 218416423 UZHUZQGKWGICTK-UHFFFAOYSA-N 289.383 1.751 70 50 CDIA CN1CCN(C(=O)c2ccnnc2)C[C@@H]1c1ccccc1 217201774 FLOYISCBJRIPFH-OAHLLOKOSA-N 282.347 1.606 70 50 CDIA Cc1cc(C)n(CCCC(=O)N[C@@H]2C[C@@H]3OCC[C@@H]32)n1 217449176 XHOUQVOJLLDFRD-MCIONIFRSA-N 277.368 1.574 70 50 CDIA CSCC[C@@H](O)C(=O)N(C)Cc1cccnc1 216923964 NXUHFBYDFSDCAV-LLVKDONJSA-N 254.355 1.154 70 50 CDIA Cc1cc(=O)[nH]c(CCNC(=O)c2cc(C)oc2C)n1 218391131 SCNGNBWSOOIQLY-UHFFFAOYSA-N 275.308 1.261 70 50 CDIA COc1ccnc(C(=O)N[C@@H](C)c2n[nH]c(C)n2)c1 217996099 LLHORNVQDJWCRY-ZETCQYMHSA-N 261.285 1.008 70 50 CDIA CCn1cc(S(=O)(=O)Cl)c(=O)c2ccccc21 1542991700 HISQFHADGJXGKB-UHFFFAOYSA-N 271.725 1.949 70 50 CDIA O=C(NC[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc[nH]1 218350494 ZCJCUWSVXQMTPP-GFCCVEGCSA-N 283.331 1.798 70 50 CDIA O=S(=O)(F)Oc1cccnc1Br 526058857 XPCXOVRVXVCGKC-UHFFFAOYSA-N 256.052 1.437 70 50 CDIA Cc1cc(CC(=O)NCCc2noc(C3CCC3)n2)on1 218026251 OAWSZXKHDJTCSR-UHFFFAOYSA-N 290.323 1.535 70 50 CDIA CSCCC(=O)N1CCC[C@H](c2nnc[nH]2)C1 217156341 NKDOWQVNEBCULX-VIFPVBQESA-N 254.359 1.264 70 50 CDIA O=S(=O)(F)N1CC=C(c2ccc3c(c2)OCCO3)CC1 1875373478 CBHXYZMPPKRMOU-UHFFFAOYSA-N 299.323 1.761 70 50 CDIA COC(=O)[C@H](C)N(C)Cc1ccc(OC)c(C)c1 160503157 JMCRRMVTAIUPGR-NSHDSACASA-N 251.326 1.997 70 50 CDIA Cc1ccc(C(=O)NCCCc2nnc(N)s2)s1 218681601 LGWPLKORQFQKBK-UHFFFAOYSA-N 282.394 1.853 70 50 CDIA O=C(Cc1cccc(O)c1)N1C[C@@H]2CC[C@H](C1)[C@@H]2O 217365759 YPIVMGSHOYQOCE-JYAVWHMHSA-N 261.321 1.164 70 50 CDIA CC(=O)N[C@@H]1CCN(C(=O)N2CCC(C)CC2)C1 160801862 BNSZWHYWZLXIPK-GFCCVEGCSA-N 253.346 1.049 70 50 CDIA COc1ccc([C@H](O)C(=O)NCc2c(C)n[nH]c2C)cc1 217471654 ZWHFWSPUKIVDCI-AWEZNQCLSA-N 289.335 1.385 70 50 CDIA CCc1noc([C@H](C)N(CC)Cc2cnn(C)c2)n1 161119361 MNISDRMBAWQNES-JTQLQIEISA-N 263.345 1.949 70 50 CDIA C[C@@H](C1CCN(C(=O)Cc2c[nH]cn2)CC1)N1CCCC1 217030761 SBYAGDYIXQFSBN-ZDUSSCGKSA-N 290.411 1.675 70 50 CDIA CCc1noc([C@H](C)N[C@H]2CCCCC[C@@H]2C(N)=O)n1 159412520 NETYIZCHLNVOFQ-DCAQKATOSA-N 280.372 1.717 70 50 CDIA CCOc1ccc(S(=O)(=O)Cl)cc1NC(=O)NC 95698133 MGJCADPCFHPOFA-UHFFFAOYSA-N 292.744 1.764 70 50 CDIA O=C(Nc1ccccn1)c1ccc(OS(=O)(=O)F)cc1 1875374391 NRSWOSZGKIWFGZ-UHFFFAOYSA-N 296.279 1.927 70 50 CDIA CNc1ncccc1CN1CCCn2nc(CO)cc2C1 217921861 HSRWODACFJDABK-UHFFFAOYSA-N 287.367 1.218 70 50 CDIA Cc1c[nH]c(C(=O)N2CCCC[C@@H]2CCn2ccnc2)n1 217757938 ZURHZKHKLRECGP-CYBMUJFWSA-N 287.367 2.000 70 50 CDIA CCOC(C)(C)C(=O)N(C)[C@@H](C)Cc1cnccn1 218130900 RAFMOEFLLIKRDJ-NSHDSACASA-N 265.357 1.681 70 50 CDIA C[C@]1(CS(=O)(=O)F)CN(Cc2ccccc2)C1=O 1536220503 SYSJWDYCMFEWIR-GFCCVEGCSA-N 271.313 1.334 70 50 CDIA CN1CCN([C@@H]2CCN(C(=O)c3ccsc3)C2)CC1 217703387 UKQZMOOYAGZRST-CYBMUJFWSA-N 279.409 1.210 70 50 CDIA O=S(=O)(F)N1CCC[C@H](Cn2cnc3ccccc32)C1 1875373994 XFFVUVXDFBGOJM-LLVKDONJSA-N 297.355 1.963 70 50 CDIA Cc1cc(C)n(CC2CC2)c(=O)c1C(=O)Nc1cc[nH]n1 218617640 NQTPBRJAAXMEDL-UHFFFAOYSA-N 286.335 1.851 70 50 CDIA O=C(c1ccc(Cl)cc1O)N1C[C@@H]2CC[C@H](C1)[C@@H]2O 217645334 HLEPQBTXXDSBBE-WOFXILAISA-N 281.739 1.889 70 50 CDIA Cc1nc([C@@H](C)NC(=O)CN2CCCCCC2)n[nH]1 217497983 IQLLOGSQGCVWBV-SNVBAGLBSA-N 265.361 1.166 70 50 CDIA O=C(NCCc1cccnc1)[C@@H](O)Cc1ccccc1 217599892 AUFNROZHEJBZLE-HNNXBMFYSA-N 270.332 1.344 70 50 CDIA O=S(=O)(F)N1CCN(c2ccc(F)cc2)CC1 1875373508 CYZFZDBKTBWKNQ-UHFFFAOYSA-N 262.281 1.162 70 50 CDIA O=C(CBr)c1ccc(S(=O)(=O)F)cc1 215883899 RWHNIEOAPNZZGI-UHFFFAOYSA-N 281.102 1.922 70 50 CDIA Cc1ccc(C(=O)N2C[C@H]3[C@H](CN(C)C)[C@H]3C2)cc1O 217393532 MHIILCLRVICDTE-ZSOGYDGISA-N 274.364 1.580 70 50 CDIA NC[C@H]1CCN(C(=O)Cc2ccc(O)c(Cl)c2)C1 218349090 BWKSNOVJHNVKKJ-SNVBAGLBSA-N 268.744 1.395 70 50 CDIA C[C@H](O)CN(C1CCCCC1)S(=O)(=O)C1CC1 160926911 NEPMQSVNRABQCR-JTQLQIEISA-N 261.387 1.494 70 50 CDIA NC1CC(c2cc(NCc3cnn4cccnc34)ncn2)C1 218530356 NXOFGQZLNNQTLY-UHFFFAOYSA-N 295.350 1.336 70 50 CDIA C[C@H](c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)F 757178135 SJJYFHDOKKORMU-SSDOTTSWSA-N 266.315 1.450 70 50 CDIA CCO[C@@H]1COCC[C@H]1NC(=O)c1cncs1 218412835 FVHNRVCPEAWJPE-RKDXNWHRSA-N 256.327 1.067 70 50 CDIA CC(C)(C)c1cc(CNC(=O)Cn2ccc(=O)cc2)[nH]n1 218568092 YHZRXQGXYXVJDS-UHFFFAOYSA-N 288.351 1.185 70 50 CDIA Cc1ccc(F)cc1S(=O)(=O)N[C@H]1C[C@@H]2OCC[C@H]12 218102193 KCYIUMMSWRQBTQ-WOPDTQHZSA-N 285.340 1.590 70 50 CDIA Cc1ccc2c(c1S(=O)(=O)Cl)C(=O)C(=O)N2 958527871 HPJMTENBAYBSMO-UHFFFAOYSA-N 259.670 1.057 70 50 CDIA COC(=O)CCc1ccc(OS(=O)(=O)F)c(OC)c1 1875376055 XIBXZEHXDZMQKC-UHFFFAOYSA-N 292.284 1.394 70 50 CDIA Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCCNC2)CCO1 160842376 POZJYQDKORJMPN-ZBFHGGJFSA-N 288.391 1.895 70 50 CDIA Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)Cl 100504250 NYXCIPXHNVJEIO-UHFFFAOYSA-N 250.659 1.326 70 50 CDIA COCCOc1ccc(S(=O)(=O)Cl)cc1 100011769 QGHZEYHFQCDRAT-UHFFFAOYSA-N 250.703 1.639 70 50 CDIA Cc1oncc1C(=O)NCCc1noc([C@H]2CCCO2)n1 217048783 UHFFXNBUOJNYMZ-SNVBAGLBSA-N 292.295 1.190 70 50 CDIA Cc1nonc1CC(=O)N(Cc1ccncc1)C1CC1 218566403 UYVBWTRWXSSRRS-UHFFFAOYSA-N 272.308 1.507 70 50 CDIA c1ccc2c(c1)CC(N1CCN(c3ncncn3)CC1)C2 218335017 DZEDMJMUNSFUAL-UHFFFAOYSA-N 281.363 1.161 70 50 CDIA CN1CCC(O)(CNC(=O)CCc2ccc(F)cc2)CC1 218149637 CNXTWQJJOYVFLT-UHFFFAOYSA-N 294.370 1.331 70 50 CDIA Cc1nc(CNc2cc(C3CC(N)C3)nc(N)n2)cs1 218706808 SKQFQCMOWQSKQX-UHFFFAOYSA-N 290.396 1.641 70 50 CDIA O=S(=O)(F)CCN(Cc1ccccc1)[C@H]1CCOC1 1875382963 ZEBARFRHWUUBQX-ZDUSSCGKSA-N 287.356 1.577 70 50 CDIA C[C@@H](Cc1cccnc1)NC(=O)c1cc(Cl)c[nH]c1=O 217866014 OMMSUEWIYRZYKR-VIFPVBQESA-N 291.738 1.784 70 50 CDIA O=C(N[C@@H]1CCSc2ccccc21)[C@H]1C[C@@H](O)CN1 217739035 ZSZXHLQHZWSGMV-YUSALJHKSA-N 278.377 1.063 70 50 CDIA CC(=O)Nc1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1 218497431 RTPMSXDLKFLVBR-UHFFFAOYSA-N 273.292 1.330 70 50 CDIA Cc1c[nH]c(C(=O)N2CCCC[C@H]2CCn2ccnc2)n1 217758040 ZURHZKHKLRECGP-ZDUSSCGKSA-N 287.367 2.000 70 50 CDIA COCc1cc(C(=O)N2CCC[C@H]2CN)ccc1F 160153853 MMLVORYUUQSXFC-LBPRGKRZSA-N 266.316 1.535 70 50 CDIA CSCc1ccc(C(=O)NCc2cc(O)nc(C)n2)o1 218057073 JFUXTQORBPVWNC-UHFFFAOYSA-N 293.348 1.877 70 50 CDIA CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)[C@@H]1CCCNC1 161177647 PUWPONPSXPYXNB-BFHYXJOUSA-N 282.428 1.944 70 50 CDIA N[C@H]1[C@H]2CCO[C@H]2[C@@H]1NC(=O)CSc1ccccc1 218384827 KKFPJSXCEIPIOA-YXCITZCRSA-N 278.377 1.010 70 50 CDIA Cc1cc(=O)c(C(=O)N2CCC[C@@H](N(C)C)CC2)c[nH]1 217520860 QSZRBYBIRCWXGM-GFCCVEGCSA-N 277.368 1.240 70 50 CDIA O=C(O)c1cc(S(=O)(=O)F)c(Cl)cc1F 675063139 JJCSVUHYOYJKDQ-UHFFFAOYSA-N 256.613 1.836 70 50 CDIA C[C@H](c1nccs1)N(C)C(=O)c1ccc(N)nc1 217795791 GDIPHFHVKBYEOV-MRVPVSSYSA-N 262.338 1.954 70 50 CDIA CCn1nc(C)cc1C(=O)Nc1nnc(C(F)(F)F)[nH]1 160858017 BTUHKFSPKUKAER-UHFFFAOYSA-N 288.233 1.601 70 50 CDIA CN(C)C(=O)NCC(=O)N1CCC(c2ccncc2)CC1 217167037 VHZIWDFGILQCLW-UHFFFAOYSA-N 290.367 1.059 70 50 CDIA COc1cc(F)c(S(=O)(=O)F)cc1S(=O)(=O)F 675064671 QDJOWZGQCANUDX-UHFFFAOYSA-N 290.240 1.151 70 50 CDIA CN1CCCN(CCS(=O)(=O)F)c2ccccc21 883954471 OQIYASZRTWFGHK-UHFFFAOYSA-N 272.345 1.632 70 50 CDIA O=C(c1cnc[nH]1)N1CCN(c2nc3ccccc3o2)CC1 217058695 GMXVLQHMTLQWEW-UHFFFAOYSA-N 297.318 1.513 70 50 CDIA COC[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH]c2=O)C1 217561220 CPTYOTVHBUWKHL-LLVKDONJSA-N 264.325 1.100 70 50 CDIA CC(=O)N1CC(Nc2cccc(-c3nc[nH]n3)c2)=CC1=O 218451493 MQTSOQMAMAOURO-UHFFFAOYSA-N 283.291 1.156 70 50 CDIA Cc1nonc1CC(=O)N(C)[C@@H](C)c1ccon1 216981910 IZMNZWNWDAXPOF-QMMMGPOBSA-N 250.258 1.128 70 50 CDIA O=S(=O)(F)c1cnc2onc(C3CCOCC3)c2c1 675067107 YXEBDRMCPXYFQC-UHFFFAOYSA-N 286.284 1.775 70 50 CDIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)NC1CCC1 1875382620 JLESXWNOMUKZFR-UHFFFAOYSA-N 288.300 1.954 70 50 CDIA NC(=O)c1ccc2c(c1)CCCN2Cc1noc(C2CC2)n1 160838865 AWVGYYIXGDXDSX-UHFFFAOYSA-N 298.346 1.999 70 50 CDIA Cc1c(OS(=O)(=O)C(F)(F)F)ccc2c1COC2=O 113484586 VEUQZWVGMYVTMY-UHFFFAOYSA-N 296.222 1.894 70 50 CDIA CCN(Cc1ccccn1)C(=O)c1cnc(O)cn1 218140086 NXBSQOGKCYZRHD-UHFFFAOYSA-N 258.281 1.240 70 50 CDIA O=C(NCCO)c1cnc2c(Cl)cccc2c1O 218370713 UCPHWPMUAQUORD-UHFFFAOYSA-N 266.684 1.316 70 50 CDIA O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1ccc(-n2ccnc2)cc1 218143068 GAHLLZKCGVDJJZ-ILXRZTDVSA-N 283.331 1.780 70 50 CDIA Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cccnc2)o1 217704812 ABYKOSWPODEUAL-JTQLQIEISA-N 274.276 1.056 70 50 CDIA biogenic Cc1ccc(C)c(OCC(=O)N2CCC[C@@H]2CN)c1 160307690 JUUCAPHCUVXHKQ-CYBMUJFWSA-N 262.353 1.632 70 50 CDIA CCO[C@H]1CN(Cc2csc(C(C)=O)c2)C[C@@H]1O 218272254 LTGCIEUNJWSOHK-RYUDHWBXSA-N 269.366 1.532 70 50 CDIA CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(-c2ccccn2)[nH]n1 218197059 HPARJJSAJYFQDX-QMTHXVAHSA-N 288.351 1.609 70 50 CDIA Cc1ccccc1[C@H]1CN(C(=O)[C@@H](C)N)[C@H](C)CO1 161468230 PLRGZSFEYXQAFO-YRGRVCCFSA-N 262.353 1.631 70 50 CDIA COc1cc2c(cc1S(=O)(=O)F)C(=O)NCCC2 675066533 MSQPZEIFAKOBLU-UHFFFAOYSA-N 273.285 1.029 70 50 CDIA CCCc1cnc(C)nc1C[C@H]1CC(=O)N(CCOC)C1 218267436 PWQKTLALBXZNFE-ZDUSSCGKSA-N 291.395 1.775 70 50 CDIA CO[C@@H]1COCC[C@H]1NC(=O)CCC(F)(F)F 218008280 SDOBTZVWFVFRJD-HTQZYQBOSA-N 255.236 1.249 70 50 CDIA CNC[C@H]1CCCN1C(=O)Cc1cc(F)ccc1F 161246709 ZBXWEMQQPCGIFC-GFCCVEGCSA-N 268.307 1.718 70 50 CDIA CCCO[C@@H]1CCCN(C(=O)c2cnc(O)cn2)C1 217590309 FKXIOTAQXSSYSN-SNVBAGLBSA-N 265.313 1.213 70 50 CDIA OC[C@H](O)CSCc1noc(C2CCCCC2)n1 159864110 ONPXJMRYHXKVDJ-JTQLQIEISA-N 272.370 1.704 70 50 CDIA Cc1nc(N)sc1C(=O)N[C@@H](C)c1c(C)n[nH]c1C 217033855 TURIPXYLSAKLEB-YFKPBYRVSA-N 279.369 1.865 70 50 CDIA CC(=O)N[C@H]1CCN(C(=O)N2CCC(C)CC2)C1 160801738 BNSZWHYWZLXIPK-LBPRGKRZSA-N 253.346 1.049 70 50 CDIA Cc1cc(C(=O)NC[C@H]2CN(C)C(=O)CO2)ccc1Cl 218338499 ZYYILIMTICLOOT-NSHDSACASA-N 296.754 1.235 70 50 CDIA CC(=O)N1CCCc2cc(S(=O)(=O)Cl)ccc21 100061670 ZWAOGPPOUISAGA-UHFFFAOYSA-N 273.741 1.913 70 50 CDIA in-vitro CC(C)OCc1cc(N)ccc1OS(=O)(=O)F 1875390042 NIAIHWZXPLFPKN-UHFFFAOYSA-N 263.290 1.787 70 50 CDIA Cc1noc(C)c1CN(C)C(=O)Cc1ccncc1 218753048 DKPPATMVBYVJBC-UHFFFAOYSA-N 259.309 1.888 70 50 CDIA CCN1C[C@H](NC(=O)c2cccc(F)c2F)[C@@H](OC)C1 218027640 ATQPBALEMWFCAO-RYUDHWBXSA-N 284.306 1.414 70 50 CDIA COc1ccc(C(=O)NCCc2scnc2C)cn1 218531642 FHKWXDSMXXACPV-UHFFFAOYSA-N 277.349 1.828 70 50 CDIA COCc1cc(CNC(=O)c2cn(C)c3ccccc23)n[nH]1 218429422 DNRBRSPDPNDMCI-UHFFFAOYSA-N 298.346 1.978 70 50 CDIA COc1ccnc(C(=O)N[C@H](C)c2n[nH]c(C)n2)c1 217996188 LLHORNVQDJWCRY-SSDOTTSWSA-N 261.285 1.008 70 50 CDIA CCN(Cc1ccccn1)C(=O)c1cnc(C)[nH]c1=O 218301688 CXADXBQQRXRDRR-UHFFFAOYSA-N 272.308 1.136 70 50 CDIA [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Cl)C1=O 95741977 DZQQBMOSBPOYFX-UHFFFAOYSA-N 268.681 1.494 70 50 CDIA in-vitro O=C(Nc1ncco1)N[C@@H]1c2ccccc2C[C@H]1O 159446356 OTGYZNJBNKAYJA-GHMZBOCLSA-N 259.265 1.454 70 50 CDIA C[C@H](Cc1cccnc1)NC(=O)c1cccc(=O)[nH]1 217025964 JGXSUHVAMJIWIC-SNVBAGLBSA-N 257.293 1.131 70 50 CDIA O=S(=O)(F)Oc1cccc(-c2nccc(O)n2)c1 1875390114 ZNCDWSKSVKBGEJ-UHFFFAOYSA-N 270.241 1.442 70 50 CDIA O=C(CCc1cccnc1)NCCC[C@@H]1CCOC1 218376129 BDCYPNRLDCBGDT-CQSZACIVSA-N 262.353 1.947 70 50 CDIA COc1ccc(CCC(C)=O)cc1OS(=O)(=O)F 1875374727 ZIACLXADVLFKOQ-UHFFFAOYSA-N 276.285 1.810 70 50 CDIA CS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1 95712943 TYJOQICPGZGYDT-UHFFFAOYSA-N 254.716 1.018 70 50 CDIA in-vitro O=C(c1cc(F)ccc1F)N1C[C@@H]2CC[C@H](C1)[C@@H]2O 217774680 ZJGAZLMSONFOGN-WOFXILAISA-N 267.275 1.808 70 50 CDIA COc1cc(C)c(S(=O)(=O)Cl)cc1OC 98047007 IRHPZJPWXHAKBI-UHFFFAOYSA-N 250.703 1.940 70 50 CDIA CC(C)c1cc(C(=O)N[C@@H]2C[C@@H]3OCC[C@@H]32)no1 217212662 METZTVIBZVFTRD-LNLATYFQSA-N 250.298 1.705 70 50 CDIA CCCc1cc(C(=O)NC[C@@H]2COCCO2)cs1 217800019 NPCYWLFGJQTKGO-LLVKDONJSA-N 269.366 1.846 70 50 CDIA NS(=O)(=O)N1CCC[C@H](Oc2ccccc2Cl)C1 161091400 FKHZWXJUCIODRH-VIFPVBQESA-N 290.772 1.387 70 50 CDIA Cc1ncsc1CCNC(=O)[C@@H](N)c1c(C)n[nH]c1C 217051559 WTBRTBRRFCPKOO-LBPRGKRZSA-N 293.396 1.150 70 50 CDIA Cc1ccc(CN2CCN(c3ncncn3)CC2=O)cc1 218515450 KZHQRAMTFLICTR-UHFFFAOYSA-N 283.335 1.029 70 50 CDIA CCSc1nc(CC(=O)NCc2nnc(C)o2)cs1 217049574 GMEGQFNVEKEGKL-UHFFFAOYSA-N 298.393 1.805 70 50 CDIA CC(C)=CCN1CCCn2nc([C@H](O)CN(C)C)cc2C1 218694863 VCBYQBJYRWGCSC-MRXNPFEDSA-N 292.427 1.650 70 50 CDIA CCc1noc(CC)c1CC(=O)N1CCC[C@H]1CN 160183706 NAQRGFWCOSUPAU-JTQLQIEISA-N 265.357 1.292 70 50 CDIA CCOC(=O)C[C@H](C)NC(=O)Cc1ccc(OC)cc1 160835642 BBGKKOSNORPPEP-NSHDSACASA-N 279.336 1.696 70 50 CDIA COC(=O)c1csc(S(=O)(=O)Cl)c1OC 95676553 IJGCJDNTXHGTFB-UHFFFAOYSA-N 270.715 1.471 70 50 CDIA O=S(=O)(F)c1csc(S(=O)(=O)Cl)c1 1772716262 CIVGDZKDPZMWND-UHFFFAOYSA-N 264.708 1.334 70 50 CDIA CC[C@H](C)N(CCS(=O)(=O)F)Cc1cc(C)nn1C 1875382727 NQURCWGAGYYXQW-NSHDSACASA-N 291.392 1.628 70 50 CDIA O=C(Nc1ccnn1CC1CC1)N1CCC[C@@H]1CO 160399305 IEVIIGFTUKVKLJ-LLVKDONJSA-N 264.329 1.282 70 50 CDIA Cc1nnc(CCNC(=O)COC[C@H]2CCCCO2)s1 217102999 JODSVNSENSUAHJ-LLVKDONJSA-N 299.396 1.091 70 50 CDIA COC(=O)C1(c2ccc(S(=O)(=O)Cl)cc2)CC1 97945862 ZQDRVUUGONDOGQ-UHFFFAOYSA-N 274.725 1.819 70 50 CDIA CC[C@H](NC(=O)c1cnc[nH]c1=O)c1nc(C)c(C)s1 218309968 VHRODICIFZDKPK-JTQLQIEISA-N 292.364 1.724 70 50 CDIA CC(=O)NCCc1ccc(S(=O)(=O)Cl)cc1 100006008 VSHNWNOZERVVNK-UHFFFAOYSA-N 261.730 1.293 70 50 CDIA CC(=O)c1ccc2c(c1O)[C@H](c1ccnn1C)CC(=O)O2 218127427 RZGGRUAJJXMUIL-JTQLQIEISA-N 286.287 1.769 70 50 CDIA O=C(NCCc1cccnc1)c1ccn(C(F)F)n1 218427018 UFMKTCUODJFUIU-UHFFFAOYSA-N 266.251 1.646 70 50 CDIA O=S(=O)(OCCBr)C(F)(F)F 100044239 KENPFZUYYWVXNW-UHFFFAOYSA-N 257.027 1.248 70 50 CDIA in-vitro C[C@@H](C(=O)NCCn1cccn1)c1ccc(O)cc1 217581555 BNQMNGMJFPYSDS-LLVKDONJSA-N 259.309 1.509 70 50 CDIA COc1cccc(CCC(=O)N2CCN[C@@H](C)C2)c1 216787661 AXPBKBNRVSPZOH-LBPRGKRZSA-N 262.353 1.448 70 50 CDIA CSCc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3O)o1 217502812 XXWILCWWHQHYBM-IWIIMEHWSA-N 281.377 1.986 70 50 CDIA COC(=O)c1cc(S(=O)(=O)Cl)c(F)cc1C 159860031 HWBBOCGDHXNZCC-UHFFFAOYSA-N 266.677 1.848 70 50 CDIA CCc1ccc(C(=O)N2CCC(CNC(C)=O)CC2)[nH]1 218130347 MODSTBNBSGRSEV-UHFFFAOYSA-N 277.368 1.565 70 50 CDIA COC(=O)N1CCCC[C@H]1C(=O)NCc1snnc1C 218734574 OGWJUPQYWNSAAW-VIFPVBQESA-N 298.368 1.084 70 50 CDIA Cc1ccc(C)n1CC(=O)NCc1nnc2ccccn12 218438941 ZGJYWNYATPQKNI-UHFFFAOYSA-N 283.335 1.464 70 50 CDIA CCCn1ncnc1[C@@H](C)NC(=O)Cc1cccnc1 218235965 PPMFJKKFNRPVNM-LLVKDONJSA-N 273.340 1.503 70 50 CDIA C[C@H](NC(=O)N(C)CC1CCOCC1)c1cnn(C)c1 159372536 DILLUHILHCZAKL-NSHDSACASA-N 280.372 1.549 70 50 CDIA O=C(NCc1nnc(-c2ccccc2)o1)c1ccc[nH]1 217974395 FSJDCXPGWKIIEV-UHFFFAOYSA-N 268.276 1.995 70 50 CDIA CN1CCN2CCN(Cc3cc(C(C)(C)C)[nH]n3)C[C@@H]2C1 217403685 DNSPDOXKRUZGDJ-AWEZNQCLSA-N 291.443 1.139 70 50 CDIA CCc1nnc(Cn2cc(NC(=O)C(C)(C)C)cn2)o1 160897480 PAWBSERAVBWMPD-UHFFFAOYSA-N 277.328 1.861 70 50 CDIA O=S(=O)(F)CCc1cnc(C(F)(F)F)cn1 1857786030 LBNADEHAHLYBRW-UHFFFAOYSA-N 258.196 1.337 70 50 CDIA O=C(NCc1cc(C2CC2)on1)[C@H]1CCC[C@H](O)C1 218546212 OMGXHNVGRPRUOZ-JQWIXIFHSA-N 264.325 1.719 70 50 CDIA C[SiH](C)O[Si](C)(O[SiH](C)C)O[SiH](C)C 169747816 DYXYFYSDMOOWRX-UHFFFAOYSA-N 268.610 1.555 70 50 CDIA CC(C)N[C@@H]1COCC[C@H]1Oc1ccc(CO)cc1 218531230 VSRLQGGYIDDDRA-HUUCEWRRSA-N 265.353 1.713 70 50 CDIA CSCC[C@@H](O)C(=O)N1CCC(c2ccncc2)CC1 217178918 RKCSAWNLAYATKQ-CQSZACIVSA-N 294.420 1.902 70 50 CDIA COCCS(=O)(=O)NC[C@H](C)c1ccc(C)cc1 159691745 WGAXORAYBCGEIS-LBPRGKRZSA-N 271.382 1.664 70 50 CDIA O=C1CCC(CCC(=O)N[C@@H]2CCc3ccccc3C2)=NN1 218687291 VZXMIKPZMONBOT-OAHLLOKOSA-N 299.374 1.706 70 50 CDIA O=S(=O)(Cl)c1cncc(Br)c1 51951744 AVILRJQPDYPXFQ-UHFFFAOYSA-N 256.508 1.772 70 50 CDIA in-vitro [N-]=[N+]=C1C=C(S(=O)(=O)Cl)c2ccccc2C1=O 100046599 HAGVXVSNIARVIZ-UHFFFAOYSA-N 268.681 1.463 70 50 CDIA Cc1nonc1CC(=O)N[C@@H](C)c1nc(C(C)C)no1 217679555 CGPOJWZVVIYWLT-QMMMGPOBSA-N 279.300 1.304 70 50 CDIA O=C(C[C@@H]1C=CCC1)NCc1nc(-c2cnccn2)n[nH]1 217471867 OFHNVXDGPRRTBC-SNVBAGLBSA-N 284.323 1.234 70 50 CDIA CC(=O)N1CC(Nc2cc(F)c(F)c(F)c2)=CC1=O 218246757 LKBZKHWDGLGWDV-UHFFFAOYSA-N 270.210 1.788 70 50 CDIA COC[C@H]1[C@@H](NC(=O)c2cc(C)ccc2O)[C@@H]2CCO[C@@H]21 218775440 SSFTWAXGSIOOEV-LVGORTOPSA-N 291.347 1.480 70 50 CDIA C[C@H](c1ccc(Cl)cn1)N(C)S(=O)(=O)F 1875374933 KDDVNGCCXHEBLL-ZCFIWIBFSA-N 252.698 1.942 70 50 CDIA Cc1cc2c(c(=O)[nH]1)[C@@H](c1cccnc1)CC(=O)O2 217930760 VLGRDEYQBOPDNC-SNVBAGLBSA-N 256.261 1.519 70 50 CDIA biogenic O=C1CN(C(=O)[C@@]2(c3ccccc3)CC23CCCC3)CCN1 217073826 SVWKJQJXSJCYKU-SFHVURJKSA-N 298.386 1.847 70 50 CDIA N=c1[nH]c(-c2cccc(OS(=O)(=O)F)c2)cs1 1875374728 ZICUIIDCNBTUCR-UHFFFAOYSA-N 274.298 1.816 70 50 CDIA Cc1cnn([C@H](C)C(=O)N(C)Cc2nnc(C)o2)c1 218394994 YKTIROFKCCFCPC-SECBINFHSA-N 263.301 1.103 70 50 CDIA COc1ccc(S(=O)(=O)Cl)cc1C(=O)N(C)C 100026397 BOHPKYZEFYAUFB-UHFFFAOYSA-N 277.729 1.325 70 50 CDIA in-vitro CN1CCN(C(=O)c2ccc([B-](F)(F)F)cc2)CC1 169746047 DQEPHHKXCSLKPJ-UHFFFAOYSA-N 271.071 1.129 70 50 CDIA CCc1ccccc1N1CCN(C[C@@H]2[C@H]3CNC[C@H]32)CC1 217469937 AFIFRQNVSOHLHX-FVQHAEBGSA-N 285.435 1.836 70 50 CDIA CC(=O)Nc1ccc2c(c1)CN(S(=O)(=O)F)CC2 1875373509 DAGLCKQYHXBDKH-UHFFFAOYSA-N 272.301 1.217 70 50 CDIA CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(-c2cccnc2)[nH]n1 218354413 NRRKZKMFXALGSL-QMTHXVAHSA-N 288.351 1.609 70 50 CDIA COc1ccccc1CCC(=O)N[C@H]1C[C@@H]2OCC[C@H]12 218732893 ILKHXSBEBUAYSM-IPYPFGDCSA-N 275.348 1.921 70 50 CDIA C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1)c1cc2ccccc2o1 217842211 MEQCBFDXUMIDRU-WCQGTBRESA-N 274.320 1.333 70 50 CDIA CCOc1ccccc1OCCCC(=O)N1CC[C@@H](N)C1 160316055 SKDNLRGRCHWSQA-CYBMUJFWSA-N 292.379 1.804 70 50 CDIA Cn1cc(S(=O)(=O)Cl)c(C2CCOCC2)n1 1535476087 UNCKJOHBAPVVEX-UHFFFAOYSA-N 264.734 1.242 70 50 CDIA O=C(NCCc1cn[nH]c1)c1cc2ccccc2[nH]c1=O 217163375 RKKAXSAKVXKLSM-UHFFFAOYSA-N 282.303 1.224 70 50 CDIA O=[N+]([O-])c1cc(F)c(S(=O)(=O)Cl)cc1F 263623146 FCPBSQPRMNAWRX-UHFFFAOYSA-N 257.601 1.801 70 50 CDIA Cn1ncnc1-c1ccc(OS(=O)(=O)F)cc1 1875374132 BNJDEICJHXNTLD-UHFFFAOYSA-N 257.246 1.075 70 50 CDIA Cc1ccn(CCC(=O)NCCC23CCCN2CCC3)n1 218575095 CALBNNZAXWPTSV-UHFFFAOYSA-N 290.411 1.716 70 50 CDIA CC(C)(C)OC(=O)N1CC(CS(=O)(=O)F)C1 390822168 OAVFBMSTRFUZTE-UHFFFAOYSA-N 253.295 1.153 70 50 CDIA CC(=O)N1CCOc2ccc(S(=O)(=O)Cl)cc21 59114985 ABMZXQIJEDEIAB-UHFFFAOYSA-N 275.713 1.359 70 50 CDIA in-vitro CN(Cc1ccon1)C(=O)CCc1cc(Cl)no1 216987335 IGFWWPZFFLQZNG-UHFFFAOYSA-N 269.688 1.907 70 50 CDIA O=C(Cc1c[nH]cn1)N1CCC[C@@H]1c1ccccn1 217066936 BOFVJRGDIWEKFK-CYBMUJFWSA-N 256.309 1.711 70 50 CDIA C[C@@H](Cc1cccnc1)NC(=O)c1ccc(=O)[nH]c1 217629084 SXZWKRABEJIRPD-JTQLQIEISA-N 257.293 1.131 70 50 CDIA C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC[C@@H]1CN 160200358 YDXIZHFPMGTGCR-ZYHUDNBSSA-N 266.316 1.543 70 50 CDIA CC1=CC[C@@H]2CN(C(=O)CCn3nnnc3C)C[C@@H]2C1 218230298 CQVFEPLZZSSLML-OLZOCXBDSA-N 275.356 1.186 70 50 CDIA O=C(c1cccc(-c2ncn[nH]2)c1)N1CCSCC1 160812544 LPNHVSFNXKPDHO-UHFFFAOYSA-N 274.349 1.661 70 50 CDIA O=C(Cc1noc2ccccc12)N1C[C@@H]2CCC[C@H](C1)N2 160691584 FBLNPHRPBWGPNF-TXEJJXNPSA-N 285.347 1.723 70 50 CDIA COCC[C@H]1CN(C(=O)c2ccc(OC)c(C)c2)CCO1 218514641 ZUOWAILFVYCGQD-AWEZNQCLSA-N 293.363 1.881 70 50 CDIA Cc1nccc(C(=O)NCCNC2CCCCCC2)n1 159682188 CXJHGBIEZQYXQY-UHFFFAOYSA-N 276.384 1.827 70 50 CDIA CN1C(=O)CCN(CCS(=O)(=O)F)c2ccccc21 883954141 AYWZVAPDRSSMRK-UHFFFAOYSA-N 286.328 1.159 70 50 CDIA COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)Cl 100287973 KJKNRKFUULYNRF-HWKANZROSA-N 276.697 1.721 70 50 CDIA Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cc(F)c(F)c(F)c1 218167953 MYPWEJKNILUVGC-SSDOTTSWSA-N 299.252 1.436 70 50 CDIA O=S(=O)(F)Oc1ccc(Cl)cc1-n1ccnn1 1875374213 FUUIFTPOJITTRC-UHFFFAOYSA-N 277.664 1.514 70 50 CDIA O=C(NCCc1cn[nH]c1)[C@H](O)C1CCCCC1 217191096 RJZKOSFKEKYECD-GFCCVEGCSA-N 251.330 1.010 70 50 CDIA Cc1nonc1CC(=O)NCc1cc(-c2ccccc2)n[nH]1 217821841 XHOUFUCHLGLNAX-UHFFFAOYSA-N 297.318 1.627 70 50 CDIA NC[C@@H]1CCN(C(=O)Cc2ccc(O)c(Cl)c2)C1 218349011 BWKSNOVJHNVKKJ-JTQLQIEISA-N 268.744 1.395 70 50 CDIA O=S(=O)(Cl)N(CC(F)(F)F)CC(F)(F)F 100552829 ZKDWMKHAXXKGLH-UHFFFAOYSA-N 279.589 1.897 70 50 CDIA CC[C@H](Cn1ccnc1)NC(=O)c1c(C)cc(C)[nH]c1=O 217927915 KVOCHSBGMKBJSW-GFCCVEGCSA-N 288.351 1.397 70 50 CDIA CCOC(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875389885 GJSOURBUWCYRSU-UHFFFAOYSA-N 263.246 1.848 70 50 CDIA CO[C@@H](C)CC(=O)NCCNC1CCCCCC1 159729197 GSHHRTKPJXYHPN-LBPRGKRZSA-N 256.390 1.840 70 50 CDIA CN1CCC[C@]2(CCCN(C(=O)c3ccncc3O)C2)C1 216984723 KPIGTTXKZYZDFP-INIZCTEOSA-N 289.379 1.735 70 50 CDIA Cn1nccc1[C@H]1CC(=O)Oc2cc3c(cc21)OCO3 218334013 TZUPBCTXNRGRPJ-QMMMGPOBSA-N 272.260 1.590 70 50 CDIA CC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)F)C1 307342124 KGUFPZQZPDWHAW-MRVPVSSYSA-N 267.322 1.685 70 50 CDIA Cc1onc(C(=O)NCc2cnc3ccccc3c2)c1CO 217110951 YLCDMHYDBVYPHY-UHFFFAOYSA-N 297.314 1.954 70 50 CDIA CC(=O)N[C@H]1Cc2ccc(S(=O)(=O)Cl)cc2C1 60071403 XNVZUBLWWSTORI-JTQLQIEISA-N 273.741 1.217 70 50 CDIA CCc1nnc(CNC(=O)CCc2cccnc2)s1 218567366 OLAMRHBDNQJCDG-UHFFFAOYSA-N 276.365 1.745 70 50 CDIA CCOCC(=O)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1 218432776 YSNSIUQZJJQSFR-KGLIPLIRSA-N 297.326 1.515 70 50 CDIA O=C(NCCN1CCc2ccccc2C1)C(=O)c1ccco1 218532240 MESBTUBPHBAMOI-UHFFFAOYSA-N 298.342 1.637 70 50 CDIA O=C(c1cnc2ccccc2n1)N1CC[C@H]2CC[C@@H](C1)N2 218554477 IODSOPURPRQPIF-NEPJUHHUSA-N 282.347 1.596 70 50 CDIA CN(Cc1cnn(C)c1)C(=O)c1ccc(F)c(O)c1 217147305 GXKVMQMNSFWXIG-UHFFFAOYSA-N 263.272 1.537 70 50 CDIA CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)F 675066773 VWNMBCGLNGVWSL-UHFFFAOYSA-N 299.323 1.608 70 50 CDIA O=S(=O)(F)C[C@H]1CCOC2(CCOCC2)C1 1775997107 VVJYTJLYBNJFMW-VIFPVBQESA-N 252.307 1.262 70 50 CDIA CC[C@@H](C)[C@@H](CO)NC(=O)CCc1cc(Cl)no1 218155116 WYZJRIXDJBRFRT-PSASIEDQSA-N 274.748 1.784 70 50 CDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccc(F)c1O 218680817 BFJZIRODRUYSED-PFEFGLNJSA-N 295.310 1.311 70 50 CDIA CN(C)c1ccc(CCC(=O)NC[C@@H]2CCOC2)cc1 218579110 IDMWLNCAMVRRIQ-AWEZNQCLSA-N 276.380 1.838 70 50 CDIA Cc1cc(Br)cnc1S(=O)(=O)F 306797080 XQHJKWFMGTYCOZ-UHFFFAOYSA-N 254.080 1.811 70 50 CDIA NC[C@@H]1CCCN1C(=O)COCc1ccccc1Cl 160140046 BXAGUKGCPVTTEM-LBPRGKRZSA-N 282.771 1.806 70 50 CDIA CCCc1cc(C(=O)N[C@@H](C)c2n[nH]c(=O)[nH]2)cs1 217147889 KCLNBSYDXXCLQR-ZETCQYMHSA-N 280.353 1.603 70 50 CDIA Cc1cccnc1CN1CCn2nc(CO)cc2C1 217823985 PZPBBCLMDLNBSM-UHFFFAOYSA-N 258.325 1.095 70 50 CDIA Cc1cc(S(=O)(=O)Cl)c(F)cc1[N+](=O)[O-] 238856631 WQKRETPWYPJFPV-UHFFFAOYSA-N 253.638 1.970 70 50 CDIA CN(CCOc1ccccc1F)S(=O)(=O)F 1875374077 ZQRFJLLSONHVED-UHFFFAOYSA-N 251.254 1.351 70 50 CDIA Cc1nn(C)cc1-c1oncc1S(=O)(=O)Cl 100496419 ABJPLTWVTQPJMI-UHFFFAOYSA-N 261.690 1.311 70 50 CDIA Cn1nccc1[C@@H]1CC(=O)Oc2cc3c(cc21)OCO3 218333926 TZUPBCTXNRGRPJ-MRVPVSSYSA-N 272.260 1.590 70 50 CDIA Cn1cc([C@@H](NC(=O)c2ccsc2)C2CC(O)C2)cn1 218330773 IKBACYUAPYSNHC-GDKBPFBDSA-N 291.376 1.724 70 50 CDIA Cc1cc(N2CCN(C(=O)CN3CCCC3)CC2)ccn1 218561400 DLVZATXFNGVXAJ-UHFFFAOYSA-N 288.395 1.134 70 50 CDIA O=C(NCCn1cncn1)c1ccc(N2CCCCC2)cc1 218567650 PKKKNCNXLXJSEK-UHFFFAOYSA-N 299.378 1.698 70 50 CDIA Cc1nnc(CNC(=O)CCC(=O)N2CCCCCC2)o1 217595387 RUYYHUVEWHVDNA-UHFFFAOYSA-N 294.355 1.177 70 50 CDIA COc1cc2c(cc1CNc1ncncn1)OCCO2 218686164 OJZIRGHOMUVSSR-UHFFFAOYSA-N 274.280 1.264 70 50 CDIA CCOc1ccc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N(C)C)o1 218153273 YTAGHTWRNMYZLS-GJQVQUKXSA-N 294.351 1.126 70 50 CDIA CSc1ncc(C(=O)N[C@@H](C)Cc2ccccn2)cn1 218079679 BHWLGUGZCRSMAY-JTQLQIEISA-N 288.376 1.955 70 50 CDIA Cc1nc(CC(C)C)c(C(=O)N2CC[C@@H](N)C2)s1 160324406 RSHLWYYEYZKZMI-SNVBAGLBSA-N 267.398 1.823 70 50 CDIA CCO[C@H](C)C(=O)N[C@H]1CCN(c2ccccc2OC)C1 161172661 AKEDXBJIUARVEI-OLZOCXBDSA-N 292.379 1.815 70 50 CDIA Cc1nn(C2CCOCC2)c2ncc(S(=O)(=O)F)cc12 675066916 QXQDPQPMTLFZBP-UHFFFAOYSA-N 299.327 1.749 70 50 CDIA NC(=O)CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 161137716 KLHPPJXIDWLTSI-GHMZBOCLSA-N 288.269 1.298 70 50 CDIA Cc1cc2c(c(=O)[nH]1)[C@H](c1cccnc1)CC(=O)O2 217930679 VLGRDEYQBOPDNC-JTQLQIEISA-N 256.261 1.519 70 50 CDIA biogenic CC(=O)N1c2ccc(S(=O)(=O)F)cc2C[C@H]1C 675064225 XUOQDVUZHBGVKH-SSDOTTSWSA-N 257.286 1.642 70 50 CDIA OC1CC(c2cc(NCCSc3cnn[nH]3)ncn2)C1 218659633 AQGSRBJNZXYZFI-UHFFFAOYSA-N 292.368 1.037 70 50 CDIA CCn1nc(C)c(CNC(=O)c2noc(C)c2CO)c1C 217153252 YFPFHLYSDLALQI-UHFFFAOYSA-N 292.339 1.239 70 50 CDIA CC(=O)NCCSc1ccc(OS(=O)(=O)F)cc1 1875374150 CLWGQUAZOLMHAU-UHFFFAOYSA-N 293.341 1.508 70 50 CDIA O=C(NCc1ccc(-n2cncn2)cc1)C(=O)c1ccco1 216915976 BDABYNQYQGOMMH-UHFFFAOYSA-N 296.286 1.359 70 50 CDIA O=S(=O)(OCC(F)(F)Br)C(F)(F)F 521399029 XWARBAIUQRCYHI-UHFFFAOYSA-N 293.007 1.840 70 50 CDIA Cc1ccccc1CCC(=O)NCCCS(=O)(=O)F 2325886014 KNIFSTWSUJAVJZ-UHFFFAOYSA-N 287.356 1.733 70 50 CDIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2C(C)C 217909142 HKRZOIOQTDAPTL-QMMMGPOBSA-N 279.292 1.600 70 50 CDIA biogenic O=C(CN1CCCCCCC1)NCc1ncc[nH]1 217364601 LFLHBNFANCDTER-UHFFFAOYSA-N 250.346 1.292 70 50 CDIA Cc1cccc(Cn2nccc2NC(=O)N[C@@H](C)CO)c1 160120424 XTOZNSLGKCPYPQ-LBPRGKRZSA-N 288.351 1.742 70 50 CDIA CN(Cc1cc(C2CC2)[nH]n1)C(=O)C(=O)c1cccn1C 218639429 ZESJLIDODJMYRO-UHFFFAOYSA-N 286.335 1.467 70 50 CDIA O=S(=O)(Cl)c1cccnc1OCC(F)F 163919784 NHDLKROPXWIMNG-UHFFFAOYSA-N 257.645 1.653 70 50 CDIA COC(=O)NCCc1ccc(S(=O)(=O)F)s1 238851091 DYSSCGNSHOZYLV-UHFFFAOYSA-N 267.303 1.305 70 50 CDIA Cn1ncc(S(=O)(=O)Cl)c1Br 196857465 WKSFIUAPEQSZEU-UHFFFAOYSA-N 259.512 1.110 70 50 CDIA Cc1nccn1CCC(=O)NC[C@@H](C)Oc1cccnc1 218542576 UERYSQNYDMJVSI-GFCCVEGCSA-N 288.351 1.560 70 50 CDIA CCc1nccn1CCC(=O)NCCn1cnc(C)c1C 216937460 GDSBIZCKPRPJDD-UHFFFAOYSA-N 289.383 1.465 70 50 CDIA CCO[C@H]1CN(Cc2cccc(-n3cccn3)c2)C[C@@H]1O 218110849 VTTNPGHXIOPICD-HOTGVXAUSA-N 287.363 1.454 70 50 CDIA C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](CS(=O)(=O)F)C1 521396989 DGGWBXFRBOCJGC-UTLUCORTSA-N 263.334 1.180 70 50 CDIA C[C@H](O)c1cc2n(n1)CCN(CCc1cscn1)C2 217113451 SBKNOVFVRWBGLJ-JTQLQIEISA-N 278.381 1.451 70 50 CDIA Cc1noc(C)c1C(=O)NCc1nc(-c2ccncc2)n[nH]1 218557932 MMKWIGKVPGQXMV-UHFFFAOYSA-N 298.306 1.402 70 50 CDIA CC(=O)N1c2ccc(S(=O)(=O)Cl)cc2C[C@H]1C 100023852 VMIKNPLJAZXOOM-SSDOTTSWSA-N 273.741 1.912 70 50 CDIA CCCc1cc(CN(C)C(=O)c2nc(C)c[nH]2)n[nH]1 217646852 QOFXKXTVWWRBKM-UHFFFAOYSA-N 261.329 1.666 70 50 CDIA O=C(c1cnc[nH]1)N1CC(c2nc3ccccc3[nH]2)C1 218519640 OAKQSDADGJVRTJ-UHFFFAOYSA-N 267.292 1.526 70 50 CDIA OCCOc1ccccc1CN1C[C@@H]2CC[C@H](C1)[C@@H]2O 217054107 LRNXQUZDOPGTTC-FOLVSLTJSA-N 277.364 1.260 70 50 CDIA Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCCN2)CCO1 160842137 ZBVMNSCYTOSJPD-GJZGRUSLSA-N 274.364 1.647 70 50 CDIA C[C@@H](c1ccncc1)N(C)C(=O)c1cc(CO)ccn1 217009785 DBKOCKXQTDLNEL-NSHDSACASA-N 271.320 1.802 70 50 CDIA O=C1[C@H]2C=CCC=CC=C[C@H]2N1S(=O)(=O)Cl 254748969 IMYGNGUQRJDLQF-DTWKUNHWSA-N 259.714 1.369 70 50 CDIA O=S(=O)(Cl)c1ccc(Cl)c2nonc12 59681358 BPPRLMZEVZSIIJ-UHFFFAOYSA-N 253.066 1.804 70 50 CDIA in-vitro C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1)c1cc2ccccc2o1 217842347 MEQCBFDXUMIDRU-MVWJERBFSA-N 274.320 1.333 70 50 CDIA CCCO[C@H]1CCCN(C(=O)c2nc(C)c[nH]2)C1 217419538 HIZWEAQUMIFMRX-NSHDSACASA-N 251.330 1.749 70 50 CDIA CC(=O)Nc1cc(NC2=CC(=O)N(C(C)=O)C2)ccc1O 218492491 WBQGMXKQJZWQOA-UHFFFAOYSA-N 289.291 1.035 70 50 CDIA Fc1ccc2[nH]c(CCCNc3ncncn3)nc2c1 218034885 QXZJXDGAFAKPKA-UHFFFAOYSA-N 272.287 1.932 70 50 CDIA N=c1[nH]nc(-c2cccc(OS(=O)(=O)F)c2)s1 1875374741 ZTYIPGGKHBHIRW-UHFFFAOYSA-N 275.286 1.211 70 50 CDIA O=C(CCCOc1ccccc1)N[C@@H]1CCOC[C@H]1O 218388428 OVJIQDBANVREAJ-ZIAGYGMSSA-N 279.336 1.112 70 50 CDIA CCCCN(Cc1csnn1)[C@@H]1CCS(=O)(=O)C1 160785785 BWCJTRQCRPNITM-LLVKDONJSA-N 289.426 1.327 70 50 CDIA O=S(=O)(F)N1CCC(c2ncc3n2CCCC3)CC1 1875373923 UOXLYFOYQUXZLC-UHFFFAOYSA-N 287.360 1.613 70 50 CDIA C[C@@H](c1nccs1)N(C)C(=O)c1ccc(N)nc1 217795725 GDIPHFHVKBYEOV-QMMMGPOBSA-N 262.338 1.954 70 50 CDIA O=C(CO)N[C@@H]1CC2(CCCC2)Oc2ccccc21 217202534 FLZQBNLBSMDTKE-GFCCVEGCSA-N 261.321 1.932 70 50 CDIA COc1c(F)cc(C(=O)N[C@@H]2CCNC2)cc1F 218517017 SUOCPIRKZBGITA-MRVPVSSYSA-N 256.252 1.065 70 50 CDIA CC(C)[C@@H](C)N(CCS(=O)(=O)F)Cc1ccon1 1875382903 WTTAYTDESCEDPD-SNVBAGLBSA-N 278.349 1.820 70 50 CDIA C[C@@H](CCNC(=O)Cc1cccnc1)n1ccnc1 218469164 LWXLDRKHCPVULU-LBPRGKRZSA-N 258.325 1.588 70 50 CDIA O=C1CN(C(=O)[C@]2(c3ccccc3)CC23CCCC3)CCN1 217073859 SVWKJQJXSJCYKU-GOSISDBHSA-N 298.386 1.847 70 50 CDIA COc1cc(S(=O)(=O)Cl)c(OC)cc1C 100153372 DQPNDYCQGCHPNI-UHFFFAOYSA-N 250.703 1.940 70 50 CDIA in-vitro CC1(C)OC(=O)C[C@@H]1C(=O)NCc1ccc2c(c1)OCO2 218014880 UWKOYBYWPXWPCW-SNVBAGLBSA-N 291.303 1.373 70 50 CDIA biogenic CN(Cc1ccccn1)c1cc(C2CC(N)C2)nc(N)n1 218419443 UAMSWHCUCULPKZ-UHFFFAOYSA-N 284.367 1.295 70 50 CDIA O=S(=O)(F)Oc1ccc(CN2CCOCC2)cc1 1875374500 TYGKNPMRSJTMPC-UHFFFAOYSA-N 275.301 1.112 70 50 CDIA CN1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1 216994451 WVGVPFAWZXBNIV-CYBMUJFWSA-N 275.352 1.226 70 50 CDIA NC[C@@H]1CCCN1C(=O)CCc1nncn1-c1ccccc1 160332701 JKLLJKJFQWUMOQ-AWEZNQCLSA-N 299.378 1.150 70 50 CDIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(F)c(Cl)c1 218367697 ICYXEDLUGKZINI-QMMMGPOBSA-N 297.717 1.811 70 50 CDIA CCCc1cnc(C)nc1C[C@@H]1CC(=O)N(CCOC)C1 218267371 PWQKTLALBXZNFE-CYBMUJFWSA-N 291.395 1.775 70 50 CDIA CN(CCc1ncon1)C(=O)Cc1cn(C)c2ccccc12 217609855 RUJXZBDEVIBGHX-UHFFFAOYSA-N 298.346 1.805 70 50 CDIA COc1c([N+](=O)[O-])cc(S(=O)(=O)Cl)cc1[N+](=O)[O-] 95707959 QSJODFKEHYDNRE-UHFFFAOYSA-N 296.644 1.439 70 50 CDIA CCOc1ccc(S(=O)(=O)Cl)cc1NC(C)=O 95698401 YJQJFRHCLLZDIL-UHFFFAOYSA-N 277.729 1.971 70 50 CDIA CCc1cc2c(=O)n(CCS(=O)(=O)F)cnc2s1 883952983 CWUPYZKLTYLUGF-UHFFFAOYSA-N 290.341 1.320 70 50 CDIA C[C@@H](O)CN(C1CCCCC1)S(=O)(=O)C1CC1 160927046 NEPMQSVNRABQCR-SNVBAGLBSA-N 261.387 1.494 70 50 CDIA N[C@@H]1CCN(C(=O)c2cccc(OC[C@H]3CCCO3)c2)C1 160203955 BDRUMZAKXWFQPI-UKRRQHHQSA-N 290.363 1.418 70 50 CDIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2C(C)C 217909065 HKRZOIOQTDAPTL-MRVPVSSYSA-N 279.292 1.600 70 50 CDIA biogenic COCc1ncc(CN2C[C@@H]3CC[C@H](C2)[C@@H]3OC)cn1 217936353 WNKNOZHJOQHLRI-NHAGDIPZSA-N 277.368 1.480 70 50 CDIA CN(C)c1ccc(CC(=O)NC[C@@H]2CCCN2)cc1 218186949 YADGTBJVAYZJTE-ZDUSSCGKSA-N 261.369 1.163 70 50 CDIA O=C1CC2(CCN(S(=O)(=O)F)CC2)Oc2ccccc21 1875374883 ILTZSPRJRBMLKJ-UHFFFAOYSA-N 299.323 1.701 70 50 CDIA O=S(=O)(F)N1CCOC[C@H]1c1nc2ccccc2o1 1875374867 HWBFJJFQLKGPAZ-VIFPVBQESA-N 286.284 1.415 70 50 CDIA COc1cc(C)c(CN(C)S(=O)(=O)F)cc1OC 1875375191 UPCDTJLZTAJQQR-UHFFFAOYSA-N 277.317 1.658 70 50 CDIA O=C(C[C@H]1C=CCC1)NCc1nc(-c2cnccn2)n[nH]1 217471942 OFHNVXDGPRRTBC-JTQLQIEISA-N 284.323 1.234 70 50 CDIA CCc1nccn1CCNC(=O)c1ccc(F)cc1O 218334219 CDMOAVKWLAZKJD-UHFFFAOYSA-N 277.299 1.720 70 50 CDIA CCO[C@@H](C)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1 161172315 AKEDXBJIUARVEI-QWHCGFSZSA-N 292.379 1.815 70 50 CDIA CC1(CNC(=O)[C@@H](O)c2cccc(F)c2)COC1 217422932 MVKWTVDDCFSXKF-NSHDSACASA-N 253.273 1.012 70 50 CDIA O=S(=O)(F)c1ncc(Br)cc1F 1775956169 XYHBIORFYCMERX-UHFFFAOYSA-N 258.043 1.641 70 50 CDIA CN(CCC1CCOCC1)C(=O)[C@@H](N)Cc1ccccc1 161402369 HOJXUQFRKGQIRV-INIZCTEOSA-N 290.407 1.832 70 50 CDIA OC[C@H](O)c1cc2n(n1)CCN(C/C=C/c1ccco1)C2 217035624 BIDSOATWTHZDBH-KZTTYJGESA-N 289.335 1.031 70 50 CDIA CSc1ncc(C(=O)N[C@@H](C)c2nnc(N)s2)cn1 218363430 JXBZLYWKCMEJCC-YFKPBYRVSA-N 296.381 1.123 70 50 CDIA COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1S(=O)(=O)F 1875368273 FKOZCZNEVZPWBY-QWRGUYRKSA-N 293.360 1.645 70 50 CDIA CCn1cnnc1CNCc1ccc(-n2ccnc2)cc1 218222437 YGGYCPIODNGOQE-UHFFFAOYSA-N 282.351 1.774 70 50 CDIA O=C1N(S(=O)(=O)Cl)C23CC=CCC12CC=CC3 101042835 HERPUHVBMIKNRT-UHFFFAOYSA-N 273.741 1.737 70 50 CDIA CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)OC1CCCC1 160887000 QNCRVEXGDFISLC-JQWIXIFHSA-N 270.373 1.350 70 50 CDIA COCCOCC(=O)N(C)Cc1ccc2ccccc2n1 218160656 YCALMBWHNBBHTJ-UHFFFAOYSA-N 288.347 1.856 70 50 CDIA CN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)F 1875373490 CMMFHAODDVTCOO-UHFFFAOYSA-N 261.274 1.104 70 50 CDIA CC(C)(C)OC(=O)N1CCC(S(=O)(=O)Cl)CC1 100006365 VJAHMDQRVLEOFG-UHFFFAOYSA-N 283.777 1.955 70 50 CDIA in-vitro CC(=O)N1CC(Nc2ccc3occc(=O)c3c2)=CC1=O 217970676 DMMXRTMVJYVNIR-UHFFFAOYSA-N 284.271 1.478 70 50 CDIA biogenic CCN(C)[C@@H](C(=O)N1CC[C@@H](N)C1)c1ccccc1 160289823 KVZDMONUKKDIEH-ZIAGYGMSSA-N 261.369 1.239 70 50 CDIA CNC[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 161277491 XMONNQXKGBKPON-VIIAAUOXSA-N 287.363 1.009 70 50 CDIA Cc1cc(C[C@H](C)NC(=O)c2c(C)noc2C)n[nH]1 161255408 KGKHJCRPTKAMTM-ZETCQYMHSA-N 262.313 1.684 70 50 CDIA CCOc1ccc(C(=O)OC)cc1S(=O)(=O)Cl 100678255 ASTTYDPQDKZQDL-UHFFFAOYSA-N 278.713 1.799 70 50 CDIA O=C(Nc1ccnn1CC1CC1)N1CCC[C@H]1CO 160399993 IEVIIGFTUKVKLJ-NSHDSACASA-N 264.329 1.282 70 50 CDIA Cc1cc(N)n(CC(=O)N(Cc2nccs2)C2CC2)n1 218479707 OXRYBXRODAMLPM-UHFFFAOYSA-N 291.380 1.421 70 50 CDIA CCc1nccn1CCNC(=O)[C@H]1CCC[C@H](O)C1 217990623 LWLRDZCCOMETMW-RYUDHWBXSA-N 265.357 1.113 70 50 CDIA CC(=O)c1ccc2c(c1O)[C@@H](c1cnn(C)c1)CC(=O)O2 218142595 OCJOUVWYSNTAAJ-LLVKDONJSA-N 286.287 1.769 70 50 CDIA CCn1cc(-c2ccc(OS(=O)(=O)F)cc2)nn1 1875374720 YRKVXYIEQWWFMM-UHFFFAOYSA-N 271.273 1.558 70 50 CDIA Cc1nnnn1CCC(=O)NCc1csc(C(C)C)n1 218701947 IGCIWDGEWNHGOT-UHFFFAOYSA-N 294.384 1.268 70 50 CDIA O=C(Nc1cncc(OS(=O)(=O)F)c1)C1CC(F)C1 1875387329 CDESAJIBWSWTEY-UHFFFAOYSA-N 292.263 1.361 70 50 CDIA CC(=O)c1ccc2c(c1O)[C@@H](c1ccnn1C)CC(=O)O2 218127512 RZGGRUAJJXMUIL-SNVBAGLBSA-N 286.287 1.769 70 50 CDIA CCc1nnc(CN2C(=O)C[C@](C)(C(C)C)C2=O)o1 160883375 XUQVIVRIFKDXPG-CYBMUJFWSA-N 265.313 1.553 70 50 CDIA C[C@H](C1CCN(C(=O)Cc2c[nH]cn2)CC1)N1CCCC1 217030797 SBYAGDYIXQFSBN-CYBMUJFWSA-N 290.411 1.675 70 50 CDIA O=C(CCn1cnnn1)NCc1ccc(-c2ccccc2)o1 217163317 ZIUKMGGQZVNRLT-UHFFFAOYSA-N 297.318 1.640 70 50 CDIA CC(C)c1nc(CCN(C)C(=O)c2cccnc2O)no1 218459654 ULVZKVSINWZDLM-UHFFFAOYSA-N 290.323 1.608 70 50 CDIA O=C1CC[C@@H]2CNCC[C@@H]2N1Cc1ccc(F)cc1 159953092 KOWNXUISNGGMDG-OCCSQVGLSA-N 262.328 1.926 70 50 CDIA CC[C@H](NC(=O)c1cnc(N)nc1C)c1cccnc1 218309334 WHLDEKNUCYXREI-LBPRGKRZSA-N 271.324 1.643 70 50 CDIA CC[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(F)c(O)c1 218247254 BLARPXXWWOODCD-NSHDSACASA-N 280.299 1.224 70 50 CDIA CC[C@@H](NC(=O)c1cnc(N)nc1C)c1cccnc1 218309286 WHLDEKNUCYXREI-GFCCVEGCSA-N 271.324 1.643 70 50 CDIA COc1ccc(C2(C(=O)NCC3(C)COC3)CC2)cc1 217742857 BCLVJDMCNGHJGJ-UHFFFAOYSA-N 275.348 1.880 70 50 CDIA O=C(c1cccc(=O)[nH]1)N1CCC(c2ccncc2)CC1 217850933 VTZGVEHSSHZIEZ-UHFFFAOYSA-N 283.331 1.790 70 50 CDIA O=C(Cn1ccnc1)NCc1cc(-c2cccnc2)no1 218044812 JATQXGCKACTDIB-UHFFFAOYSA-N 283.291 1.250 70 50 CDIA CN(CC(=O)NCC[C@@H]1CCCCO1)Cc1ccncc1 217046891 QBALKJMGAFHRAV-HNNXBMFYSA-N 291.395 1.589 70 50 CDIA CC(C)[C@@H](CO)NC(=O)c1cc(-c2cccnc2)[nH]n1 218389548 CUMWYALJUBKZFB-CYBMUJFWSA-N 274.324 1.218 70 50 CDIA COc1ccccc1/C(C)=C/C(=O)N1CCNCC1 159421038 AVJORUYQYZUFQK-VAWYXSNFSA-N 260.337 1.530 70 50 CDIA O=[N+]([O-])c1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1 95713189 SSFSNKZUKDBPIT-UHFFFAOYSA-N 266.618 1.431 70 50 CDIA in-vitro CCn1nc(C)c([C@@H](C)NC(=O)CN2CCOCC2)c1C 218293619 CWORJCVHJCRLKE-LLVKDONJSA-N 294.399 1.029 70 50 CDIA Cc1cc(C)n(CCN(C)C(=O)Cc2ccccn2)n1 217487492 SWEQHEDCHPUFTG-UHFFFAOYSA-N 272.352 1.596 70 50 CDIA COCc1nc(CNC(=O)CCC(F)(F)F)no1 218351212 ZYQGFQKTWFXIAG-UHFFFAOYSA-N 267.207 1.175 70 50 CDIA Cc1nn(C)c(C)c1C(=O)N1CCC[C@H](c2nnc[nH]2)C1 218582453 KLZKESOUFHETBC-NSHDSACASA-N 288.355 1.175 70 50 CDIA O=C(CC1=CCCC1)N1CCCn2nc(CO)cc2C1 217857198 WRJNNMNIGMPDPK-UHFFFAOYSA-N 275.352 1.608 70 50 CDIA Cc1ccccc1[C@H]1CN(C(=O)[C@H]2CSCN2)CCO1 160839888 JZWRPWFBOBTGBW-ZIAGYGMSSA-N 292.404 1.557 70 50 CDIA CC(C)(C)OC(=O)N1CCC[C@@H](CS(=O)(=O)F)C1 259322163 KGVHXTDVFVZFMK-SECBINFHSA-N 281.349 1.933 70 50 CDIA Cc1c(S(=O)(=O)F)cnn1-c1ccc(F)cc1 675063428 TYOATWRYRAKYGV-UHFFFAOYSA-N 258.249 1.978 70 50 CDIA Cn1ccc(Nc2ccc(S(=O)(=O)F)cn2)n1 888095827 CJQIAOOHRJRZCX-UHFFFAOYSA-N 256.262 1.217 70 50 CDIA CCOc1ncccc1CNC(=O)[C@H]1CCCCO1 160901945 WZNPAQNQVZUNDI-GFCCVEGCSA-N 264.325 1.666 70 50 CDIA CN1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1c1ccccc1 217126583 HTBZPPFHEXTFES-HNNXBMFYSA-N 284.363 1.468 70 50 CDIA COC[C@@H]1[C@@H](NC(=O)CC2=CCCC2)[C@@H]2CCO[C@@H]21 218002689 WOILNTZPNQRFJP-NEBZKDRISA-N 265.353 1.653 70 50 CDIA CCCc1cc(CN(C)C(=O)[C@@H](O)C(C)C)n[nH]1 217405822 CUIVTWGWYGSFRX-LBPRGKRZSA-N 253.346 1.338 70 50 CDIA O=C1O[B-](c2ccccc2)(c2ccccc2)[n+]2ccccc21 169795523 AAPWCIWYSSCVPX-UHFFFAOYSA-N 287.127 1.249 70 50 CDIA CCCc1nnsc1C(=O)N1[C@H]2CC[C@@H]1CCN(C)C2 218759302 QWJMVADBQCIZCH-MNOVXSKESA-N 294.424 1.799 70 50 CDIA O=C(Cn1cnc2ccccc21)NC[C@H]1CCCOC1 218179484 UWIFQBJRJJVUKW-GFCCVEGCSA-N 273.336 1.579 70 50 CDIA Nc1nc(NCCCc2ccco2)cc(C2CC(N)C2)n1 218358833 UHWXSUIABXGUGL-UHFFFAOYSA-N 287.367 1.901 70 50 CDIA CC(C)[C@H](O)C1CCN(C(=O)c2cccc(N)n2)CC1 217988126 HWRIKUNFZDMBSK-AWEZNQCLSA-N 277.368 1.533 70 50 CDIA Cc1nc2ccccc2cc1C(=O)N1CCNCC1 159417217 IQDGRYDLCLZIHH-UHFFFAOYSA-N 255.321 1.589 70 50 CDIA O=C(NC1CC1)c1ccc(OS(=O)(=O)F)cc1 1875374287 IVNPCRCYTORGFR-UHFFFAOYSA-N 259.258 1.172 70 50 CDIA CN(C)c1ccc(CCC(=O)NCc2ccncn2)cc1 218108341 VEWUMJQIINPSPM-UHFFFAOYSA-N 284.363 1.792 70 50 CDIA Cc1cc(C(=O)N2CCC3(CCNCC3)C2)ccc1O 218640670 OYZDOIFADKOMJP-UHFFFAOYSA-N 274.364 1.916 70 50 CDIA CC(=O)N1CC(Nc2ccc(-c3nc[nH]n3)cc2)=CC1=O 218543523 DAXMGVMQDVGXQL-UHFFFAOYSA-N 283.291 1.156 70 50 CDIA COc1c(F)c(F)c(S(=O)(=O)F)c(F)c1F 675064073 UUZGJHKZRAQJAF-UHFFFAOYSA-N 262.155 1.910 70 50 CDIA CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)Cl 536949751 XXLKLAKSJYMHKV-JTQLQIEISA-N 266.721 1.952 70 50 CDIA CSCC[C@@H](O)C(=O)NCCc1scnc1C 217035061 ISTGQGLLORHKNZ-SECBINFHSA-N 274.411 1.224 70 50 CDIA CCOC(=O)c1cc(N2C(=O)c3ccccc3C2=O)n[nH]1 217048138 SNHOEDUIPXGEKN-UHFFFAOYSA-N 285.259 1.387 70 50 CDIA COCc1nc(CNC(=O)c2ccc(C(C)=O)s2)no1 217997031 CBSSKKWXPHRZCR-UHFFFAOYSA-N 295.320 1.410 70 50 CDIA Cn1ccc(NC(=O)Nc2ccnn2CC2CC2)n1 160045079 ABPBSIJYVWCORM-UHFFFAOYSA-N 260.301 1.671 70 50 CDIA CC(C)c1csc(CCNC(=O)CN2CCOC2=O)n1 217211508 FKGJEZUTRLNCRF-UHFFFAOYSA-N 297.380 1.377 70 50 CDIA CC[C@@H](C)OCC(=O)NC[C@H]1CCO[C@@H]1C(C)C 161374236 PORKUVGKCWZSDS-YRGRVCCFSA-N 257.374 1.979 70 50 CDIA O=S1(=O)C[C@H](S(=O)(=O)Cl)c2ccccc21 59305963 JBUKOSFZXFIOAW-QMMMGPOBSA-N 266.727 1.084 70 50 CDIA in-vitro O=C(Cc1ccsc1)NC[C@H]1CCCCCN1 218782510 JVXQONPLXREOHD-GFCCVEGCSA-N 252.383 1.939 70 50 CDIA CCc1c(C)nn(CCNC(=O)Cc2cccnc2)c1C 218550957 KOMOVEZKUSGBPP-UHFFFAOYSA-N 286.379 1.816 70 50 CDIA COc1cc(Cl)c(S(=O)(=O)F)cc1C(=O)O 675065809 QVZUAPRFXNTEET-UHFFFAOYSA-N 268.649 1.705 70 50 CDIA O=S(=O)(F)Oc1ccc(-c2nnc3n2CCCC3)cc1 1875368425 QLEDTQLLEJPTOX-UHFFFAOYSA-N 297.311 1.875 70 50 CDIA Cc1nc(-c2cccc(S(=O)(=O)Cl)c2)no1 100007174 YPMVPGZXUILSPT-UHFFFAOYSA-N 258.686 1.973 70 50 CDIA in-vitro CCOCCC(=O)N1CCC(c2n[nH]cc2C)CC1 218599413 XYWQPVMLFXOCMS-UHFFFAOYSA-N 265.357 1.851 70 50 CDIA CC(C)CCc1cc(C(=O)N[C@H](CO)C(C)C)[nH]n1 218200555 YCGPXJDMRAFYQD-CYBMUJFWSA-N 267.373 1.745 70 50 CDIA O=C1CCC(CCC(=O)N[C@H]2CCc3ccccc3C2)=NN1 218687373 VZXMIKPZMONBOT-HNNXBMFYSA-N 299.374 1.706 70 50 CDIA O=C(c1ccsc1)N1CCC[C@@](O)(CO)CC1 216993381 STGCFFQDQHJIRU-LBPRGKRZSA-N 255.339 1.098 70 50 CDIA CN(CCCn1cccn1)c1cc(C2CC(O)C2)ncn1 218240552 VADCAPWTMMCQOE-UHFFFAOYSA-N 287.367 1.438 70 50 CDIA CC(C)C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875374291 JFCQDUXDNZUCLF-UHFFFAOYSA-N 261.274 1.874 70 50 CDIA C[C@H]1CN(c2ccccc2)CCN1C(=O)c1cnc[nH]1 217180741 ZDZROEGPXKFPFE-LBPRGKRZSA-N 270.336 1.761 70 50 CDIA Cc1cc(C(=O)NCc2cnc3cnccn23)c(C)o1 217824995 MFRXNKNNZMSOBA-UHFFFAOYSA-N 270.292 1.869 70 50 CDIA Nc1ncccc1CNC(=O)CCCN1CCCC1 218724749 TZVFJSDXQDSAJK-UHFFFAOYSA-N 262.357 1.156 70 50 CDIA CNC(=O)c1cccc(Cn2cnn(C(C)(C)C)c2=O)c1 159621416 FRBOWMAWUJMFAY-UHFFFAOYSA-N 288.351 1.208 70 50 CDIA COC(=O)C(C)(C)c1cccc(OS(=O)(=O)F)c1 1875374182 DOXPJSKYUXZFAE-UHFFFAOYSA-N 276.285 1.730 70 50 CDIA O=C(NCCc1ccc2c(c1)OCO2)[C@H]1CCCCO1 161316994 USOQXGPQERUSMC-CYBMUJFWSA-N 277.320 1.643 70 50 CDIA COc1ccc(CC(=O)N2CCC[C@H]2CN)c(Cl)c1 160304584 RWMDKXIDBXFYQK-NSHDSACASA-N 282.771 1.841 70 50 CDIA Cc1nccn1CCC(=O)N[C@H](C)CCn1cccn1 218517769 UCQXOHQWSZKWHR-GFCCVEGCSA-N 275.356 1.373 70 50 CDIA CC(C)COC[C@H](O)CN1CC[C@]2(O)CCCC[C@@H]2C1 160991137 MBLHMTWGCQWAGG-BZUAXINKSA-N 285.428 1.647 70 50 CDIA CCn1nc(C)cc1C(=O)NCc1cnc2cnccn12 217624073 ZBIJTFCDIKONEY-UHFFFAOYSA-N 284.323 1.184 70 50 CDIA O=C(Nc1ccccc1)N1CCN(S(=O)(=O)F)CC1 1776003699 AARNHCSXJPCJHH-UHFFFAOYSA-N 287.316 1.050 70 50 CDIA O=C(NCC1CCC1)c1cncc(OS(=O)(=O)F)c1 1875385594 XCANSYKTRKRJOA-UHFFFAOYSA-N 288.300 1.205 70 50 CDIA Cc1noc(Cl)c1CC(=O)N1CCN(C(C)C)CC1 159889752 BVEUXXHETKWFES-UHFFFAOYSA-N 285.775 1.732 70 50 CDIA CNC[C@H]1CCCN1C(=O)COc1c(C)cccc1C 161370453 AACNUHIKVSSZOC-CQSZACIVSA-N 276.380 1.893 70 50 CDIA O=C(c1ccccc1)N1CCC(S(=O)(=O)F)CC1 1615002186 QEPRPVJZCFMLDJ-UHFFFAOYSA-N 271.313 1.591 70 50 CDIA O=C1CC[C@H](Cc2cccc(OS(=O)(=O)F)c2)O1 1875374328 KORFMXFCEANLRT-SECBINFHSA-N 274.269 1.528 70 50 CDIA C[C@H](c1ccncc1)N(C)C(=O)c1cc(CO)ccn1 217009820 DBKOCKXQTDLNEL-LLVKDONJSA-N 271.320 1.802 70 50 CDIA NC[C@@H]1CCCN1C(=O)c1cccc(Oc2cnccn2)c1 160263428 FOTJFGMROJOHSE-ZDUSSCGKSA-N 298.346 1.832 70 50 CDIA O=C(Cc1ccc(F)cc1F)NCc1ccncn1 218470230 FSMYBQYXDNYISB-UHFFFAOYSA-N 263.247 1.614 70 50 CDIA COc1ccccc1CN1CCN(S(=O)(=O)F)CC1 1875374065 ZIGTZNMMXQUEPY-UHFFFAOYSA-N 288.344 1.027 70 50 CDIA N[C@H]1CC[C@@H](C(=O)NCCC2=CSC3=NCCCN23)C1 216764556 PMOXOLKKZQGNKI-MNOVXSKESA-N 294.424 1.270 70 50 CDIA CCCn1cnnc1CN(C)C(=O)CCSC 218628913 XPERXWBJGNBREB-UHFFFAOYSA-N 256.375 1.400 70 50 CDIA O=[N+]([O-])c1cc(F)ccc1OS(=O)(=O)C(F)(F)F 97957338 IZQXVKTUCAMOGF-UHFFFAOYSA-N 289.162 1.962 70 50 CDIA CCO[C@@H]1COCC[C@H]1NC(=O)c1cccc(C)c1 218133760 HALGYLKIRYKXOJ-ZIAGYGMSSA-N 263.337 1.919 70 50 CDIA O=C(O)CCOc1ccc(S(=O)(=O)Cl)cc1F 100613854 BZZFKVDPJBRAIO-UHFFFAOYSA-N 282.676 1.607 70 50 CDIA in-vitro COC(=O)c1ccc(Cl)c(S(=O)(=O)F)c1 238853074 IGUQAMIOIRORLU-UHFFFAOYSA-N 252.650 1.785 70 50 CDIA Cc1ccc(CCNC(=O)c2cc(=O)cc(C)o2)o1 218495809 IXJIBSUMTIMXTP-UHFFFAOYSA-N 261.277 1.822 70 50 CDIA c1ccc([SiH](c2ccccc2)c2ccccc2)cc1 169746202 AKQNYQDSIDKVJZ-UHFFFAOYSA-N 260.412 1.935 70 50 CDIA in-vitro COC(=O)N[C@H](C)C(=O)NCc1cnc(C)cc1C 218386226 OUQUSAHROGQUEA-SNVBAGLBSA-N 265.313 1.059 70 50 CDIA COC(=O)Cc1cccc(OC)c1OS(=O)(=O)F 1875374322 KHVGYRPMQAADPT-UHFFFAOYSA-N 278.257 1.004 70 50 CDIA CS(=O)(=O)Cc1ccc(S(=O)(=O)Cl)cc1 100111884 UZRHNLVZSNVYEZ-UHFFFAOYSA-N 268.743 1.159 70 50 CDIA in-vitro C[Si](C)(C)OC(=O)C(F)(F)S(=O)(=O)F 169744876 XHVSCKNABCCCAC-UHFFFAOYSA-N 250.270 1.257 70 50 CDIA in-vitro CSCC[C@H](O)C(=O)NCCc1scnc1C 217035104 ISTGQGLLORHKNZ-VIFPVBQESA-N 274.411 1.224 70 50 CDIA COC(=O)c1cc(Br)ccc1S(=O)(=O)F 238853338 JDIJNXLQJHCVKJ-UHFFFAOYSA-N 297.101 1.894 70 50 CDIA O=S(=O)(Cl)c1c(Br)ccnc1F 307027662 LYGTXNLHGLCTGC-UHFFFAOYSA-N 274.498 1.911 70 50 CDIA O=C(Cn1cnc2ccccc21)NC[C@@H]1CCCOC1 218179411 UWIFQBJRJJVUKW-LBPRGKRZSA-N 273.336 1.579 70 50 CDIA O=C1[C@@H]2[C@@H]3CCC[C@]4([C@@H]5C[C@@H]5C=C[C@@]324)N1S(=O)(=O)Cl 257358034 RIAGORKKYGEIKN-TZSFNEBQSA-N 299.779 1.673 70 50 CDIA O=C(O)c1cc(S(=O)(=O)F)c(F)cc1Cl 215883493 MZQDRBXCSOVJDM-UHFFFAOYSA-N 256.613 1.836 70 50 CDIA CCN1CC[C@H](CN(C)Cc2cnc(C)n2C)C1 217448356 QTZBMZPIZGBSHS-CYBMUJFWSA-N 250.390 1.502 70 50 CDIA CCOC(=O)[C@@H]1[C@@H]2CC[C@H](S(=O)(=O)F)C[C@H]21 675050610 BVFBVEYAMDVOSS-JQCXWYLXSA-N 250.291 1.264 70 50 CDIA C[C@H]1CCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875385711 ZTMUYHUUWNBBLB-QMMMGPOBSA-N 288.300 1.299 70 50 CDIA CC1(C)C[C@H](NC(=O)c2c[nH]nn2)c2ccccc2O1 159857832 GMSQURYETJEDRB-JTQLQIEISA-N 272.308 1.837 70 50 CDIA Cc1nonc1CC(=O)N1CCC[C@H](Cn2ccnc2)C1 217615051 JIJKOTZOJSDXIE-GFCCVEGCSA-N 289.339 1.056 70 50 CDIA NC1CC(c2cc(NCc3cn4ccccc4n3)ncn2)C1 218616113 SDKFFUBWLGMGMB-UHFFFAOYSA-N 294.362 1.941 70 50 CDIA Cc1cccc([C@H](C)NC(=O)c2cc(C)nc(N)n2)n1 218236902 WNXTUGLWVVQXNE-JTQLQIEISA-N 271.324 1.562 70 50 CDIA O=S(=O)(Cl)N1CCCC[C@H]1C(F)(F)F 100587280 HHYSBNILYUIIAS-YFKPBYRVSA-N 251.657 1.887 70 50 CDIA C[C@@H](CO)NC(=O)c1cc(-c2ccsc2)[nH]n1 218294698 GSBKLKYNWDEEIZ-ZETCQYMHSA-N 251.311 1.249 70 50 CDIA CN(Cc1cnccn1)C(=O)COCC(F)(F)C(F)F 217039618 RHXOQVLRLJAIFI-UHFFFAOYSA-N 295.236 1.352 70 50 CDIA COc1ccnc(CNC(=O)COC[C@H]2CCCCO2)c1 217814293 RICINMLSBKVCCT-CQSZACIVSA-N 294.351 1.292 70 50 CDIA C[C@@H](Sc1ccccn1)C(=O)NCc1cnn(C)c1 217077227 CEAKOKOCVQREMA-SNVBAGLBSA-N 276.365 1.612 70 50 CDIA CCOC(=O)c1ccc(OS(=O)(=O)F)cc1N 1875390023 LQUNKKMJIYJMNQ-UHFFFAOYSA-N 263.246 1.039 70 50 CDIA COC(=O)Cc1ccccc1CS(=O)(=O)Cl 169100869 FAXGVMVWVAYIAM-UHFFFAOYSA-N 262.714 1.471 70 50 CDIA O=C(c1cccc([B-](F)(F)F)c1)N1CCOCC1 169746118 OPITXCTUFOCZAM-UHFFFAOYSA-N 258.028 1.213 70 50 CDIA C[C@@H](c1ccncn1)N(C)C(=O)c1ccc2[nH]nnc2c1 217608887 LKVJLRWPIQGMGN-VIFPVBQESA-N 282.307 1.581 70 50 CDIA Cc1cc(C)nc(NCC(=O)NCc2cccn2C)n1 218384082 GEPOIXPUFNRVGH-UHFFFAOYSA-N 273.340 1.160 70 50 CDIA CC[C@H](NC(=O)Cc1ccc(N(C)C)cc1)C1CC(O)C1 218418072 HYAXFVQCELKQPE-BCLQGDPASA-N 290.407 1.961 70 50 CDIA O=S(=O)(F)C[C@H]1CCC2(CCOCC2)CO1 675066812 WYAUUYKAJPLZMH-SECBINFHSA-N 252.307 1.262 70 50 CDIA CN(Cc1cnccn1)C(=O)[C@H](O)C1CCCCC1 217678085 AXUZUEOZIYGZLK-CYBMUJFWSA-N 263.341 1.376 70 50 CDIA Cc1nc(O)ccc1C(=O)NC[C@H]1CCN(C2CC2)C1 159764999 JJFURFHFBBJNCR-LLVKDONJSA-N 275.352 1.310 70 50 CDIA COc1ccc(CC(=O)N2CCN[C@@H](C)C2)cc1F 217173642 YUFKVYVSMPBYHZ-JTQLQIEISA-N 266.316 1.197 70 50 CDIA CC(=O)N1CC(Nc2cccc([C@H](C)O)c2)=CC1=O 217995156 IOOVCVVRAYMRPB-VIFPVBQESA-N 260.293 1.424 70 50 CDIA biogenic Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2ccco2)o1 217723851 RXTVAUCYKMHVEN-MRVPVSSYSA-N 263.249 1.254 70 50 CDIA biogenic Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cccc2cccnc12 218261270 DXMWXEACHYZILA-GFCCVEGCSA-N 296.330 1.567 70 50 CDIA CN(CCN1CCn2cnnc2C1)Cc1ccc(F)cc1 159436547 DHYBRDBLHOOJSN-UHFFFAOYSA-N 289.358 1.365 70 50 CDIA CCc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2)cc1 217779829 GKISWOWMXQUIKE-GDLCADMTSA-N 262.353 1.149 70 50 CDIA C[C@@H](C(=O)N(C)C)N(C)Cc1cc(CN(C)C)cs1 218633645 QLMDYGYREHIRFR-NSHDSACASA-N 283.441 1.718 70 50 CDIA O=C(c1ccccc1S(=O)(=O)Cl)N1CCOCC1 100577045 SGSVXCYRAPMQTB-UHFFFAOYSA-N 289.740 1.087 70 50 CDIA in-vitro CCOC(=O)C[C@H](C)NC(=O)CC1CCOCC1 160109263 WOQPPSJJUSILJP-JTQLQIEISA-N 257.330 1.261 70 50 CDIA C[C@@H](NC(=O)Cc1ccc(N(C)C)cc1)c1nncn1C 218307913 OIAXVPPUBKRDHU-LLVKDONJSA-N 287.367 1.301 70 50 CDIA COC[C@@H](NC(=O)c1ccc(N)nc1)c1ccccn1 218091437 IQHCWCHAEBDOOE-GFCCVEGCSA-N 272.308 1.176 70 50 CDIA CC(=O)N1CC=C(c2ccc(OS(=O)(=O)F)cc2)CC1 1875374432 QCGVFUQTMFTXFC-UHFFFAOYSA-N 299.323 1.915 70 50 CDIA CCC[C@](C)(O)C(=O)N[C@H]1CCO[C@]2(CCSC2)C1 159767578 GPDFWGFYIWFKNI-FPMFFAJLSA-N 287.425 1.708 70 50 CDIA COc1cc2c(cc1OC)[C@H](C)N(S(=O)(=O)F)CC2 1875375265 WSTYFWDEJFUHPB-QMMMGPOBSA-N 289.328 1.837 70 50 CDIA N#CC1(OCCS(=O)(=O)Cl)CCCCC1 1535643646 LTGKSBHFZRJMAM-UHFFFAOYSA-N 251.735 1.798 70 50 CDIA O=C(N[C@@H]1CCSc2ccc(F)cc21)[C@H]1C[C@@H](O)CN1 217788186 ZBODSPGPEBUNET-YUSALJHKSA-N 296.367 1.202 70 50 CDIA C[C@@H](c1ccon1)N(C)C(=O)CSc1nnc(N)s1 217938378 MJONPBNOJBXQFV-LURJTMIESA-N 299.381 1.420 70 50 CDIA O=C(O)c1cc(S(=O)(=O)F)ccc1Br 238854435 NRNIUFYRZKHAMA-UHFFFAOYSA-N 283.074 1.806 70 50 CDIA OCCN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 161133753 ALJYYNZKMXDANZ-NEPJUHHUSA-N 275.270 1.805 70 50 CDIA Cc1nc([C@H](C)NC(=O)c2ccc(F)c(O)c2)n[nH]1 217002343 LHOPCWNXHSBWTF-LURJTMIESA-N 264.260 1.449 70 50 CDIA Cc1cc(C(=O)N[C@H](C)Cc2cccnc2)cc(=O)[nH]1 217955996 XDIJBFMAKPNCBS-SNVBAGLBSA-N 271.320 1.439 70 50 CDIA COC(=O)[C@@H](C)N(C)Cc1cccc(N(C)C)c1 159791261 VGADYXPGUWTPTI-LLVKDONJSA-N 250.342 1.746 70 50 CDIA Cn1cccc1C(=O)NCc1nc(-c2ccccn2)no1 218397947 CVTLUGHMHVZGOO-UHFFFAOYSA-N 283.291 1.400 70 50 CDIA CC1(C)OC[C@@H](CN=C=NC[C@@H]2COC(C)(C)O2)O1 16605384 QHHHYLFZGYIBCX-GHMZBOCLSA-N 270.329 1.463 70 50 CDIA O=[N+]([O-])c1cc(S(=O)(=O)Cl)c(F)cc1F 100478682 XAZYVFJSHFBTTM-UHFFFAOYSA-N 257.601 1.801 70 50 CDIA Cc1ccnn1CC(=O)N(C)CC[C@@H]1CCCCO1 217800331 NEIWZUCSBLOYHS-ZDUSSCGKSA-N 265.357 1.609 70 50 CDIA COc1ccc(C(=O)N2CCC[C@@H](c3nc(C)n[nH]3)C2)o1 217680294 VLAZNFOGIXSWLH-SNVBAGLBSA-N 290.323 1.735 70 50 CDIA C[C@@H](CO)NC(=O)c1n[nH]c2c1COc1ccccc1-2 218360939 JECVYLBDYAGZHX-QMMMGPOBSA-N 273.292 1.080 70 50 CDIA COCCN1C[C@H](Cc2ccc3c(c2)OCO3)CC1=O 218270606 FNCSRVONYJUDBS-GFCCVEGCSA-N 277.320 1.453 70 50 CDIA Cc1nc(CCCNC(=O)[C@@H]2CC[C@H](N)C2)sc1C 216832078 FYRBXWWDJQLVLM-NEPJUHHUSA-N 281.425 1.936 70 50 CDIA CCOc1ccccc1C(=O)N1CC(n2ccnn2)C1 217713052 WVBGWTHHOMPSSZ-UHFFFAOYSA-N 272.308 1.374 70 50 CDIA O=C(CCl)N[C@H]1c2ccccc2CC[C@H]1CO 149034372 ULZQHEZREYXILL-GXFFZTMASA-N 253.729 1.637 70 50 CDIA CCCn1ncnc1[C@H](C)NC(=O)Cc1cccnc1 218236038 PPMFJKKFNRPVNM-NSHDSACASA-N 273.340 1.503 70 50 CDIA C[C@@H](N)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 159508570 YMKVJSNGJFXDTP-QMTHXVAHSA-N 296.798 1.959 70 50 CDIA COCCNC(=O)Nc1ccc(S(=O)(=O)Cl)cc1 95697963 CWCNGGYNOBVSCX-UHFFFAOYSA-N 292.744 1.382 70 50 CDIA CC(C)=CCN1CCCn2nc([C@@H](O)CN(C)C)cc2C1 218694796 VCBYQBJYRWGCSC-INIZCTEOSA-N 292.427 1.650 70 50 CDIA CCc1ccc(CN2CCCn3nc(CO)cc3C2)o1 217470109 SUJHWOIZIIEEIW-UHFFFAOYSA-N 275.352 1.937 70 50 CDIA CCCn1ccnc1CNC(=O)[C@H]1CCC[C@H](O)C1 218444852 QWXSIXHDAYFCKC-RYUDHWBXSA-N 265.357 1.460 70 50 CDIA COC(=O)CNC(=O)c1sc(-c2ccncc2)nc1C 218318415 KIMWVANOUCAPNX-UHFFFAOYSA-N 291.332 1.416 70 50 CDIA Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cccc(O)c2)o1 217779634 OETJFOHOOBGVRQ-NSHDSACASA-N 289.287 1.367 70 50 CDIA biogenic NC[C@H]1CCCN1C(=O)/C=C/c1ccc2c(c1)OCCO2 160129246 LJGJITNLXXZTBE-DIECRNLCSA-N 288.347 1.421 70 50 CDIA Cc1n[nH]c(C)c1CCNC(=O)c1ccc(F)c(O)c1 217382664 FLPDNSWOYPGJPH-UHFFFAOYSA-N 277.299 1.844 70 50 CDIA CO[C@H]1CCCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 160442253 IPJWLKYISJOMBS-UONOGXRCSA-N 292.383 1.026 70 50 CDIA OCc1cc2n(n1)CCN(c1nc3ccccc3o1)C2 217061927 FJPLHMGAIMELBM-UHFFFAOYSA-N 270.292 1.537 70 50 CDIA CC(=O)c1ccc2c(c1)CCN(S(=O)(=O)F)CC2 1875374062 ZGDTXKDAKHROLV-UHFFFAOYSA-N 271.313 1.504 70 50 CDIA COc1cc(Cl)c(S(=O)(=O)Cl)cc1C(=O)O 100089265 KGGQSUTYQMJRNQ-UHFFFAOYSA-N 285.104 1.974 70 50 CDIA in-vitro C[C@H](NC(=O)c1ccn(C(F)F)n1)c1nnc(N)s1 218527250 LJWBYGZBIIIQLG-BYPYZUCNSA-N 288.283 1.203 70 50 CDIA Cc1nc(CC(=O)N2CC[C@@H](N3CCCC3)C2)c(C)s1 161338029 XOJPENDPPVQODM-CYBMUJFWSA-N 293.436 1.999 70 50 CDIA O=C(O)c1ccc(S(=O)(=O)F)cc1Br 238855474 RZQJFNZNKYCTMU-UHFFFAOYSA-N 283.074 1.806 70 50 CDIA CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(N(C)C)cc1 218549209 FGPOJYPERCKNDV-HUUCEWRRSA-N 292.379 1.676 70 50 CDIA C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC[C@H]1CN 160200641 YDXIZHFPMGTGCR-PWSUYJOCSA-N 266.316 1.543 70 50 CDIA CN(Cc1nccs1)C(=O)C(=O)c1cccn1C 217413284 SMVGBEQISNOLIO-UHFFFAOYSA-N 263.322 1.323 70 50 CDIA COCCN1C[C@H](Cc2ccc(OC)cc2OC)CC1=O 218618702 QYPCRBRKNUFRLR-GFCCVEGCSA-N 293.363 1.741 70 50 CDIA CC[C@@H](NC(=O)c1cc(=O)cc(C)o1)C1CC(O)C1 218443774 XUZDDPAIAGGKPU-QEWOUOOISA-N 265.309 1.228 70 50 CDIA O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1CCCCO1 161316850 USOQXGPQERUSMC-ZDUSSCGKSA-N 277.320 1.643 70 50 CDIA C[C@H](Cc1cccnc1)NC(=O)c1ccc(=O)[nH]c1 217629162 SXZWKRABEJIRPD-SNVBAGLBSA-N 257.293 1.131 70 50 CDIA CCc1ncnc(N[C@@H](C)CN2CCOCC2)c1F 217974413 JNKIONWTKAABBE-JTQLQIEISA-N 268.336 1.311 70 50 CDIA O=S(=O)(F)c1ccc(Cl)c(S(=O)(=O)Cl)c1 100429162 KPAMMSNSYXURNH-UHFFFAOYSA-N 293.124 1.926 70 50 CDIA C[C@H](CCc1ccccc1F)C(=O)N1CC[C@@H](N)C1 160216095 RHMIDRRDVYGPCD-DGCLKSJQSA-N 264.344 1.954 70 50 CDIA CSCC[C@@H](O)C(=O)N(C)Cc1ncccc1C 217019239 JCPZULRKIWUESU-GFCCVEGCSA-N 268.382 1.462 70 50 CDIA CSCCC(=O)N[C@H]1CCCN(Cc2cccnc2)C1 218480155 ZRHXTVOQAARVCO-AWEZNQCLSA-N 293.436 1.915 70 50 CDIA CC(C)(C)OC(=O)N[C@H]1C[C@@H](S(=O)(=O)Cl)C1 1535639554 NAHNINVNXATLRY-KNVOCYPGSA-N 269.750 1.611 70 50 CDIA CN(CC1(CO)CCCC1)C(=O)c1cc(CO)ccn1 218577639 NBVVFXYTOGBUSD-UHFFFAOYSA-N 278.352 1.199 70 50 CDIA O=C1Nc2ccc(S(=O)(=O)F)cc2C1(F)F 1875389896 JOXNXLQFXMSSNK-UHFFFAOYSA-N 251.185 1.389 70 50 CDIA COc1ccc2c(c1)CCC[C@H]2NC(=O)c1cc(N)[nH]n1 218665157 NFXRLQATJBLBCA-GFCCVEGCSA-N 286.335 1.808 70 50 CDIA CCc1ccc(C(=O)N(C)CC2CCN(CCO)CC2)[nH]1 218404398 ZRIQXZHSQAWDDG-UHFFFAOYSA-N 293.411 1.353 70 50 CDIA COC(=O)N[C@H](C)C(=O)NCc1cccc2[nH]ccc12 218445431 LZUNLCVHNIYISP-SECBINFHSA-N 275.308 1.529 70 50 CDIA Cc1cc(CC(=O)N(C)Cc2n[nH]c3c2CCC3)on1 218290937 UHKGLTOBIIICEL-UHFFFAOYSA-N 274.324 1.396 70 50 CDIA C[C@@H](C(=O)Nc1cncc(OS(=O)(=O)F)c1)C1CC1 1875387862 BCSQYBOETVLRDN-SSDOTTSWSA-N 288.300 1.659 70 50 CDIA CN(C)c1ccc(CCC(=O)NC[C@H]2CCOC2)cc1 218579183 IDMWLNCAMVRRIQ-CQSZACIVSA-N 276.380 1.838 70 50 CDIA CN(C)c1ccccc1C(=O)NCc1cnn2cccnc12 217890872 LHYCTEZVUBYLLV-UHFFFAOYSA-N 295.346 1.725 70 50 CDIA O=C1[C@H]2C=CCC=CC=C[C@@H]2N1S(=O)(=O)Cl 254748970 IMYGNGUQRJDLQF-IUCAKERBSA-N 259.714 1.369 70 50 CDIA Cc1nc2c(c(=O)n1C)CN(C(=O)CCC(F)(F)F)C2 217489153 UZUKBIPQRLZYDZ-UHFFFAOYSA-N 289.257 1.273 70 50 CDIA CC(C)[C@@H](CO)NC(=O)c1c[nH]c(=O)c2ccccc12 218093520 YWPZSFXJTJCZBP-CYBMUJFWSA-N 274.320 1.275 70 50 CDIA biogenic O=C1CC[C@@H](Cc2ccc(OS(=O)(=O)F)cc2)O1 1875374374 MRLDGNPNFLCXQK-JTQLQIEISA-N 274.269 1.528 70 50 CDIA CC(C)(C)OC(=O)N1CC(C#N)(CS(=O)(=O)F)C1 1772716808 YTZFOPOBZRTBAS-UHFFFAOYSA-N 278.305 1.046 70 50 CDIA CCOC(=O)N1CCC(S(=O)(=O)Cl)CC1 100627944 KCXLEPXXDQVBTA-UHFFFAOYSA-N 255.723 1.176 70 50 CDIA in-vitro C/C=C/CC(=O)N[C@@H]1COCC[C@@H]1OCc1cscn1 218545804 YYHXCXJGBMMJBV-XDYXTIEYSA-N 296.392 1.900 70 50 CDIA CC(C)(C)OC(=O)N1CCC[C@H](CS(=O)(=O)F)C1 259322167 KGVHXTDVFVZFMK-VIFPVBQESA-N 281.349 1.933 70 50 CDIA COc1ccc2c(c1)CN(S(=O)(=O)F)[C@H](C)C2 1875374022 XRYXDNIIZSLQMZ-MRVPVSSYSA-N 259.302 1.656 70 50 CDIA CC(C)Cc1cc(CNC(=O)[C@@H]2CC[C@H](N)C2)no1 216855023 JOWKYKKANJSWFU-MNOVXSKESA-N 265.357 1.617 70 50 CDIA CO[C@@H]1CCOC[C@H]1NC(=O)CCCn1nc(C)cc1C 218692715 RVEFICXYHPHBLS-ZIAGYGMSSA-N 295.383 1.200 70 50 CDIA Cc1nc2ccc(CNC(=O)CN3CCCC3=O)cc2[nH]1 217199211 HIYWSMWRTBIDFY-UHFFFAOYSA-N 286.335 1.110 70 50 CDIA O=C1Nc2ccccc2C12CCN(S(=O)(=O)F)CC2 1875373722 MHXDSDVSXRJYER-UHFFFAOYSA-N 284.312 1.187 70 50 CDIA c1ccc(-n2nnnc2N2CC[C@@H]3NCCC[C@@H]3C2)cc1 160796844 KFWYOTOFVPQENK-OCCSQVGLSA-N 284.367 1.241 70 50 CDIA C(=C/c1ccccc1)\CN1CCN(C[C@@H]2[C@H]3CNC[C@H]32)CC1 217660452 DZUXYNOVDFDWEZ-VQZOXDOBSA-N 297.446 1.783 70 50 CDIA CN(C(=O)[C@@H](O)c1ccc(F)cc1)C1CCOCC1 217157472 JNTOOBINRMMPCC-ZDUSSCGKSA-N 267.300 1.497 70 50 CDIA COc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@H](C)N)C2)cc1 161311491 QNQAVPCXMIRZSD-NQBHXWOUSA-N 262.353 1.747 70 50 CDIA CC(C)c1nc(CNC(=O)c2cc(N)[nH]n2)cs1 218701200 NELPCWWDYJFGOQ-UHFFFAOYSA-N 265.342 1.502 70 50 CDIA CN(CCC[C@H]1CCCO1)C(=O)Cn1ccnc1 218620316 GFDFNSSRWVGJDF-LBPRGKRZSA-N 251.330 1.301 70 50 CDIA CSc1ccc(C(=O)N2CCC[C@@](O)(CO)CC2)cc1 217838994 KTPOSNQMNYTNNE-HNNXBMFYSA-N 295.404 1.758 70 50 CDIA COc1ccc2c(c1)[C@@H](C)CN(S(=O)(=O)F)CC2 1875373983 WYRDSOHQGFNZNQ-VIFPVBQESA-N 273.329 1.871 70 50 CDIA C[C@@H](CO)NC(=O)Nc1ccnn1Cc1ccccc1F 160518610 RVYNJCTVTVHAKZ-JTQLQIEISA-N 292.314 1.573 70 50 CDIA CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)F)cc1 159125794 SGDFFEFWGSDELK-UHFFFAOYSA-N 295.357 1.375 70 50 CDIA CCn1c(=O)oc2cc(S(=O)(=O)Cl)ccc21 100026213 ICXHUQMWWZGCGK-UHFFFAOYSA-N 261.686 1.542 70 50 CDIA O=S(=O)(Cl)c1cccc(S(=O)(=O)Cl)c1 72399399 ALIQZUMMPOYCIS-UHFFFAOYSA-N 275.134 1.542 70 50 CDIA in-vitro Cn1c(CO)nnc1Sc1nc(C(C)(C)C)ns1 160028500 MVOCPELVRRPZQL-UHFFFAOYSA-N 285.398 1.608 70 50 CDIA CCCNC(=O)Nc1cccc(OS(=O)(=O)F)c1 1875374381 MXEJEEGXEJMJOO-UHFFFAOYSA-N 276.289 1.811 70 50 CDIA COCCOc1ccc(F)cc1S(=O)(=O)Cl 100476638 MNSVCVSKLPJOSK-UHFFFAOYSA-N 268.693 1.778 70 50 CDIA in-vitro Cc1cc(C)nc(CNc2cc(C3CC(N)C3)nc(N)n2)n1 218255151 YFMUAQNFQDGSTB-UHFFFAOYSA-N 299.382 1.282 70 50 CDIA Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)F 238852894 HSNMAZRALDPTQD-UHFFFAOYSA-N 252.288 1.057 70 50 CDIA COc1ccc2c(c1)CN(S(=O)(=O)F)CCO2 1875374644 BNSDFXGTCYJSPP-UHFFFAOYSA-N 261.274 1.104 70 50 CDIA CSCC[C@@H](O)C(=O)N(C)Cc1nc2ccccc2[nH]1 217643709 NDEMWXRSVXEDCX-GFCCVEGCSA-N 293.392 1.635 70 50 CDIA CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(Cl)cn1 218206379 ADLJJTFHLVNJKX-MWLCHTKSSA-N 270.716 1.269 70 50 CDIA O=S(=O)(F)CCN1CCCn2ncc(C3CC3)c21 1615057373 AWGMGRASHNGIQP-UHFFFAOYSA-N 273.333 1.270 70 50 CDIA O=C1[C@@H]2[C@@H]3CCC[C@]4([C@@H]5C[C@@H]5C=C[C@]324)N1S(=O)(=O)Cl 101003433 RIAGORKKYGEIKN-CFERCFMISA-N 299.779 1.673 70 50 CDIA COCCN1C[C@@H](Cc2ccc(OC)cc2OC)CC1=O 218618621 QYPCRBRKNUFRLR-LBPRGKRZSA-N 293.363 1.741 70 50 CDIA CCN(Cc1noc(C)n1)C(=O)c1cnc(C)cn1 218302928 UUEPZXRGKDNZGG-UHFFFAOYSA-N 261.285 1.139 70 50 CDIA O=C(NCCCn1ncc2ccccc21)c1ccno1 218006181 IDDBCCLHOWECFN-UHFFFAOYSA-N 270.292 1.844 70 50 CDIA CCOC(=O)Cc1ccc(OS(=O)(=O)F)c(C)c1 1875389960 XYTWNYOUUGESEJ-UHFFFAOYSA-N 276.285 1.694 70 50 CDIA Cc1nnc(CCNC(=O)COC[C@@H]2CCCCO2)s1 217102982 JODSVNSENSUAHJ-NSHDSACASA-N 299.396 1.091 70 50 CDIA N[C@@H]1CCN(C(=O)c2ccccc2OC[C@H]2CCCO2)C1 160312469 WXQYXBJUEXEDGG-CHWSQXEVSA-N 290.363 1.418 70 50 CDIA Cn1cc(CN2CC[C@H](CNc3ccccn3)C2)cn1 160909886 RJKJNKTWLXTYEU-CYBMUJFWSA-N 271.368 1.749 70 50 CDIA CC[C@H](C)CS(=O)(=O)N1CCOc2ccncc21 160985047 QPNNWHZIAGXMEP-JTQLQIEISA-N 270.354 1.656 70 50 CDIA O=S(=O)(F)CCn1ncc(Cl)c1C1CC1 883953716 HXTNDBAIAHWGCK-UHFFFAOYSA-N 252.698 1.713 70 50 CDIA COC(=O)[C@H]1CCCN(C(=O)NCCCSC)C1 160371235 FQUJUZBRKRLDOW-JTQLQIEISA-N 274.386 1.334 70 50 CDIA CCNC(=O)c1cc(S(=O)(=O)Cl)ccc1OC 100026422 PZDOXCGWMVGULO-UHFFFAOYSA-N 277.729 1.372 70 50 CDIA COC[C@@H]1[C@@H](NC(=O)c2ccccc2)[C@@H]2CCO[C@@H]21 218351802 DJYITBFACJHHJN-CRWXNKLISA-N 261.321 1.466 70 50 CDIA C[C@@H]1CN(C(=O)CN(C)Cc2cccnc2)CCCO1 217009074 GMTLKCFNBBXVPV-CYBMUJFWSA-N 277.368 1.151 70 50 CDIA Cc1cc(CC(=O)NCc2csc(N(C)C)n2)on1 218416135 WFTBBZWVDUQWMR-UHFFFAOYSA-N 280.353 1.364 70 50 CDIA Nc1nc2c(c(C(=O)NCCc3cccnc3)n1)CCCC2 217910273 VKYXNUYIYCVRES-UHFFFAOYSA-N 297.362 1.305 70 50 CDIA CO[C@@H]1CCOC[C@H]1NC(=O)c1cc2sccc2[nH]1 217617257 GTACOMCDLIHOEW-GHMZBOCLSA-N 280.349 1.763 70 50 CDIA CCCc1cc(C(=O)NC[C@H]2COCCO2)cs1 217800103 NPCYWLFGJQTKGO-NSHDSACASA-N 269.366 1.846 70 50 CDIA CC(C)(C)OC(=O)N1CC(C#N)(CCS(=O)(=O)F)C1 1775954775 IEGGBAMXEGPCNW-UHFFFAOYSA-N 292.332 1.436 70 50 CDIA O=C(c1ccnn1CCO)N1CC[C@H](C2CCCCC2)C1 218431719 HIHXEWZHZYMGPW-AWEZNQCLSA-N 291.395 1.918 70 50 CDIA CCn1nc(C)cc1C(=O)NCCC[C@@H]1CCOC1 218740469 ZKIMKDLQHCCDLP-GFCCVEGCSA-N 265.357 1.758 70 50 CDIA CCc1nnc(CNC(=O)c2cccnc2O)s1 218415797 RORPBPLNMZJJTG-UHFFFAOYSA-N 264.310 1.131 70 50 CDIA O=C(NCCc1ccncc1)[C@@H](O)c1ccc(F)cc1 217164972 HLKBTYOBUUYDFY-AWEZNQCLSA-N 274.295 1.613 70 50 CDIA C[C@@H](NC(=O)N(C)CC1CCOCC1)c1cnn(C)c1 159372659 DILLUHILHCZAKL-LLVKDONJSA-N 280.372 1.549 70 50 CDIA CCc1cc(CNC(=O)CC[C@H](C)N2CCOCC2)on1 218745799 BAGWXDRDRFVHIA-LBPRGKRZSA-N 295.383 1.354 70 50 CDIA C[C@H](c1ccncn1)N(C)C(=O)C(=O)Nc1ccccc1 218620707 HMQVCNCZTRDCCI-LLVKDONJSA-N 284.319 1.635 70 50 CDIA Cc1n[nH]c([C@@H]2CCCN2C(=O)CN2CCCCCC2)n1 216914649 JWZVCUYJAVSGEQ-ZDUSSCGKSA-N 291.399 1.653 70 50 CDIA O=C1OCCN1c1ccc(OS(=O)(=O)F)cc1 1875375909 UQVQUDLEXTYSBY-UHFFFAOYSA-N 261.230 1.236 70 50 CDIA CC(C)(C)OC(=O)N1CC[C@@](C#N)(CS(=O)(=O)F)C1 1775955544 CNCHBOKTQLVXAM-NSHDSACASA-N 292.332 1.436 70 50 CDIA O=S(=O)(Cl)c1sccc1C1OCCO1 100032253 RRTOURREASJQSR-UHFFFAOYSA-N 254.716 1.721 70 50 CDIA in-vitro CN1CCC[C@H](CN(C)C(=O)c2ccncc2O)C1 217919284 BINWYKLDHQJBKC-NSHDSACASA-N 263.341 1.201 70 50 CDIA CC(=O)Nc1cccc(C(=O)NCCc2nccn2C)c1 218711669 HGHOEERLBCBCOB-UHFFFAOYSA-N 286.335 1.351 70 50 CDIA Cn1ccc(NC(=O)Nc2cnn(-c3ncccn3)c2)n1 161097146 ABWGFSBBHQSLDC-UHFFFAOYSA-N 284.283 1.040 70 50 CDIA COC(=O)c1cc(S(=O)(=O)F)ccc1Cl 675065909 SQYYPGLSJYWRDV-UHFFFAOYSA-N 252.650 1.785 70 50 CDIA O=C(c1ccc(OS(=O)(=O)F)cc1)c1ccccn1 1875374102 AVILPHDOYHRZNZ-UHFFFAOYSA-N 281.264 1.906 70 50 CDIA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)c1cnco1 218476839 KSPTYGXKMZTNOU-DGCLKSJQSA-N 280.324 1.545 70 50 CDIA Cc1nn(C)c(C)c1CN(C)C(=O)c1cccn1C 217179580 SJHXPQVXTMJVMK-UHFFFAOYSA-N 260.341 1.648 70 50 CDIA O=C(CN1CCN(c2ccncc2)CC1)Nc1ccccc1 161397310 ZZPHDZNCWKXQFJ-UHFFFAOYSA-N 296.374 1.842 70 50 CDIA Cc1cc([C@H]2CCCN2C(=O)Cc2cnccn2)on1 218369078 CXQYVPSRHKUVIC-GFCCVEGCSA-N 272.308 1.679 70 50 CDIA CSc1ncccc1C(=O)N1C[C@@H]2CC[C@H](C1)C(=O)N2 216942114 QLAZCVDUCREIFJ-ZJUUUORDSA-N 291.376 1.154 70 50 CDIA COc1ccc2n[nH]c(CN3CC[C@@H]4CNC[C@@H]43)c2c1 216940888 KWQQEDNEPURUJE-BMIGLBTASA-N 272.352 1.365 70 50 CDIA O=C(O)c1ccc(Br)c(S(=O)(=O)F)c1 238856629 WPZTZMWUYUGLKJ-UHFFFAOYSA-N 283.074 1.806 70 50 CDIA O=S(=O)(F)C[C@@H]1CCC2(CCOCC2)CO1 675066817 WYAUUYKAJPLZMH-VIFPVBQESA-N 252.307 1.262 70 50 CDIA CCOC(=O)c1cc(=O)n2nc3ccccc3c2[nH]1 218710086 ZQJXNTNCHQWJNW-UHFFFAOYSA-N 257.249 1.353 70 50 CDIA Cc1cccc2oc(CNC(=O)CN3CCCC3)nc12 218760953 GGBGHPNWZVQQBG-UHFFFAOYSA-N 273.336 1.848 70 50 CDIA CC[C@H](NC(=O)C(=O)Nc1ccccc1)c1ccnn1C 218648247 UPYDENBLDUDYAX-LBPRGKRZSA-N 286.335 1.626 70 50 CDIA CCc1ccccc1OCC(=O)N1CCC[C@@H]1CNC 161182763 GFXOOMTYEWGSFN-CQSZACIVSA-N 276.380 1.838 70 50 CDIA CCc1ncnc(N2CCC[C@H]2CN2CCOCC2)c1F 160423388 MUJXOFPSIQPULA-LBPRGKRZSA-N 294.374 1.479 70 50 CDIA CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cl)CC1 100009868 CXEMWUYNUIKMNF-UHFFFAOYSA-N 284.765 1.023 70 50 CDIA C[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cnc[nH]1 217180738 ZDZROEGPXKFPFE-GFCCVEGCSA-N 270.336 1.761 70 50 CDIA CC1(C)OC(=O)C[C@H]1C(=O)NCc1ccc2c(c1)OCO2 218014962 UWKOYBYWPXWPCW-JTQLQIEISA-N 291.303 1.373 70 50 CDIA biogenic CC(=O)NCC(=O)N[C@@H]1CCCc2sccc21 159988957 DJZUQXWEGRKSSA-SNVBAGLBSA-N 252.339 1.378 70 50 CDIA C[C@@H]1CN(C(C)(C)CNC(=O)[C@H]2CCCO2)C[C@@H](C)O1 218516819 ZYIVSBNMMMKPAF-JHJVBQTASA-N 284.400 1.169 70 50 CDIA OC[C@@H](O)c1cc2n(n1)CCN(C/C=C/c1ccco1)C2 217035580 BIDSOATWTHZDBH-BQTXGFLSSA-N 289.335 1.031 70 50 CDIA CCn1ncnc1CN1C[C@@H]2CC[C@H](C1)[C@@H]2N(C)C 217118255 WMYSQWYMHCUAHC-IMRBUKKESA-N 263.389 1.070 70 50 CDIA COCC[C@@H]1CN(C(=O)c2ccc(OC)c(C)c2)CCO1 218514558 ZUOWAILFVYCGQD-CQSZACIVSA-N 293.363 1.881 70 50 CDIA COc1cn(CC(=O)Nc2nccs2)c(C)cc1=O 218399195 WGTXUJARQKFYSS-UHFFFAOYSA-N 279.321 1.261 70 50 CDIA Cc1nc(N)sc1C(=O)NCC[C@@H]1CCCCO1 217136570 UGKAKDDKZOGFLH-VIFPVBQESA-N 269.370 1.723 70 50 CDIA CC[C@@H](OC)C(=O)N1CC(Oc2ccccc2F)C1 218183960 PBWANTNFERGZPU-GFCCVEGCSA-N 267.300 1.840 70 50 CDIA NC[C@@H]1CCCN1C(=O)c1cccc(-n2ccnc2)c1 160360812 ATPVFNAJPKEPPJ-AWEZNQCLSA-N 270.336 1.436 70 50 CDIA N[C@@H]1CCN(C(=O)c2ccccc2OC[C@@H]2CCCO2)C1 160312331 WXQYXBJUEXEDGG-OLZOCXBDSA-N 290.363 1.418 70 50 CDIA O=S(=O)(Cl)c1ccsc1C1OCCO1 1535645484 DVZIIJCAMIJREW-UHFFFAOYSA-N 254.716 1.721 70 50 CDIA CCCCN(Cc1csnn1)[C@H]1CCS(=O)(=O)C1 160785889 BWCJTRQCRPNITM-NSHDSACASA-N 289.426 1.327 70 50 CDIA O=S(=O)(Cl)c1ccc(S(=O)(=O)C(F)F)cc1 100426812 MRZSQJIRQHGKEQ-UHFFFAOYSA-N 290.696 1.610 70 50 CDIA COC(=O)N[C@@H](C)C(=O)NCc1cccc2[nH]ccc12 218445353 LZUNLCVHNIYISP-VIFPVBQESA-N 275.308 1.529 70 50 CDIA COCCC1(C(=O)NS(=O)(=O)c2cccnc2)CCC1 161126034 YUQWMWHPMZXMHL-UHFFFAOYSA-N 298.364 1.093 70 50 CDIA CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)F)C1 675051867 JOPWFCARHAOTLY-SSDOTTSWSA-N 253.295 1.295 70 50 CDIA CCOc1ccc(S(=O)(=O)Cl)cc1C(=O)O 59796789 UHNRCKXZRULNSC-UHFFFAOYSA-N 264.686 1.711 70 50 CDIA in-vitro C[C@H](CCNC(=O)Cc1cccnc1)n1ccnc1 218469242 LWXLDRKHCPVULU-GFCCVEGCSA-N 258.325 1.588 70 50 CDIA Cc1cc(NC(=O)CCc2cncc(F)c2)nc(=O)[nH]1 159825803 CLIOKROQIVSTRJ-UHFFFAOYSA-N 276.271 1.184 70 50 CDIA O=C1N[C@]2(CCSC2)C(=O)N1Cc1nccs1 161178383 XPZOQAIGKNJONM-JTQLQIEISA-N 269.351 1.071 70 50 CDIA COC(=O)c1cc(Cl)c(F)cc1S(=O)(=O)F 1772717965 MZCVAIRKBROUDO-UHFFFAOYSA-N 270.640 1.924 70 50 CDIA O=C(Cc1cccc(O)c1)NCCn1cc(Cl)cn1 218666882 IMQHTWFMIDIBBW-UHFFFAOYSA-N 279.727 1.601 70 50 CDIA O=C(c1cnccn1)N1CCC([C@H](O)c2ccccn2)CC1 218180701 XOIPNUUYDXIMNZ-HNNXBMFYSA-N 298.346 1.457 70 50 CDIA CNC(=O)[C@@H](NC(=O)CCC(F)(F)F)c1ccccc1 218667290 LTBHHXDNDRZYDW-NSHDSACASA-N 288.269 1.932 70 50 CDIA CC[C@@H](C)[C@@H](CO)NC(=O)c1cnn(C(C)C)c1 218160844 BQNCGZPFHNRHGJ-ZYHUDNBSSA-N 253.346 1.601 70 50 CDIA COCCc1noc([C@@H](C)NC(=O)Cc2cccnc2)n1 218166352 UBQNRLUWHZYIFM-SNVBAGLBSA-N 290.323 1.073 70 50 CDIA Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2ccc(O)cc2)o1 217674094 SASMLWXPYIYURN-NSHDSACASA-N 289.287 1.367 70 50 CDIA biogenic Cc1ccccc1[C@@H]1CN(C(=O)[C@H]2CCCNC2)CCO1 160842616 POZJYQDKORJMPN-HOCLYGCPSA-N 288.391 1.895 70 50 CDIA COC(=O)c1cc(S(=O)(=O)F)ccc1Br 675063529 WKTLOEBFTPLCHH-UHFFFAOYSA-N 297.101 1.894 70 50 CDIA CC(=O)c1ccc(NC2=CC(=O)N(C(C)=O)C2)cc1O 218614200 SZPLIWWQRFDPOJ-UHFFFAOYSA-N 274.276 1.279 70 50 CDIA O=C(COCc1ccccc1)NCC1(CO)CCCC1 160276027 SMRORMNWOGKYJA-UHFFFAOYSA-N 277.364 1.872 70 50 CDIA CC1=C[C@H]2C=C[C@@H](C=C1)N(S(=O)(=O)Cl)C2=O 254701907 YHRYLOCJWLXICQ-RKDXNWHRSA-N 259.714 1.369 70 50 CDIA CN(C)CC[C@H]1CCCCN1C(=O)C(=O)c1cccnc1 217163281 OPEDEBFPSNBCRF-CQSZACIVSA-N 289.379 1.597 70 50 CDIA O=C(CN1CCCCCCC1)NCCn1cccn1 217207917 AORBBBVSFQZDPK-UHFFFAOYSA-N 264.373 1.265 70 50 CDIA O=C(Cc1ccc(F)cc1)N1C[C@@H]2CC[C@H](C1)[C@@H]2O 217040837 FGZFIMMXGOLMTO-JYAVWHMHSA-N 263.312 1.598 70 50 CDIA Cc1nccn1CCC(=O)NC[C@H](C)Oc1cccnc1 218542648 UERYSQNYDMJVSI-LBPRGKRZSA-N 288.351 1.560 70 50 CDIA CC(=O)c1ccc2c(c1)CCN(S(=O)(=O)F)C2 1875373637 IYNNPJXZTKBKPL-UHFFFAOYSA-N 257.286 1.462 70 50 CDIA C[C@@H](Cc1cccnc1)NC(=O)c1cccc(=O)[nH]1 217025918 JGXSUHVAMJIWIC-JTQLQIEISA-N 257.293 1.131 70 50 CDIA Cc1ccc(C)n1CC(=O)NCCc1nnc2ccccn12 218451274 TZBKYEBWIHNZJW-UHFFFAOYSA-N 297.362 1.507 70 50 CDIA CN(Cc1ncc[nH]1)C(=O)c1ccc(N(C)CCO)cc1 217171551 BOTWVOAOISJZKI-UHFFFAOYSA-N 288.351 1.110 70 50 CDIA Cc1cc(NS(=O)(=O)C[C@@H]2CCCCO2)nn1C 161504439 LZSLCSUZGQVLLC-JTQLQIEISA-N 273.358 1.039 70 50 CDIA Cc1ccccc1[C@@H](O)CNC(=O)[C@H]1CCCNC1 159843742 IXMVTVIMDNGKTC-JSGCOSHPSA-N 262.353 1.144 70 50 CDIA OCCN1CCCN(c2nnc(C(F)(F)F)s2)CC1 160170382 TYQOWHAAMYEFGV-UHFFFAOYSA-N 296.318 1.061 70 50 CDIA CN(C)C(=O)NCC(=O)NCc1cnc2ccccc2c1 217483600 YIUYEMQLQMZXSE-UHFFFAOYSA-N 286.335 1.122 70 50 CDIA CCOCC(=O)NCc1nc(-c2ccccc2)n[nH]1 217054592 NXFSTBNVTWPDMH-UHFFFAOYSA-N 260.297 1.124 70 50 CDIA O=C(CCc1ccc(O)cc1)N1C[C@@H]2CC[C@H](C1)[C@@H]2O 217146836 VIYIJGBORQIDAW-VIKVFOODSA-N 275.348 1.554 70 50 CDIA CCc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H](O)CN2)cc1 217779986 GKISWOWMXQUIKE-ZLKJLUDKSA-N 262.353 1.149 70 50 CDIA CSCC(=O)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 218426014 BLGZSJHLVGZFIK-GBIKHYSHSA-N 266.366 1.373 70 50 CDIA Cc1cnc(C(=O)N2CCC(CCn3cccn3)CC2)cn1 218347183 RJCVIFKCDFQPIZ-UHFFFAOYSA-N 299.378 1.924 70 50 CDIA COc1ccc(C(=O)NCC[C@@H]2CCOC2)cc1F 218142653 PCMDAAVFSMMRGO-SNVBAGLBSA-N 267.300 1.991 70 50 CDIA c1nc(CN(Cc2cocn2)C[C@@H]2[C@H]3CNC[C@H]32)co1 217157173 NPLIFQKLUFJBGJ-WDNDVIMCSA-N 274.324 1.130 70 50 CDIA CCOCCC(=O)N1CCN(C)[C@@H](c2ccccc2)C1 217431764 ALTOMEKLWLAAJR-OAHLLOKOSA-N 276.380 1.928 70 50 CDIA CN(CCc1cccc([N+](=O)[O-])c1)S(=O)(=O)F 1875374680 CKCJEOUKXVETGC-UHFFFAOYSA-N 262.262 1.283 70 50 CDIA O=C(c1cc[nH]n1)N1CCC[C@@H](Cn2ccnc2)C1 217930932 OEDRUAAHROSSHS-NSHDSACASA-N 259.313 1.159 70 50 CDIA CC[C@@H]1C[C@H]1C(=O)Nc1cncc(OS(=O)(=O)F)c1 1875388085 MGYOIQJJROAXAZ-GMSGAONNSA-N 288.300 1.659 70 50 CDIA COC(=O)CCc1ccc(OS(=O)(=O)F)cc1 1875375910 USYGCJSTCNKPBB-UHFFFAOYSA-N 262.258 1.385 70 50 CDIA Cc1c[nH]c(C(=O)N(C)CCC2CCOCC2)n1 217612275 IMSQNCFIRDKWIY-UHFFFAOYSA-N 251.330 1.607 70 50 CDIA CC[C@H]1CCCCN1CC(=O)N(C)Cc1cnccn1 218101634 FEZOWGYUCMNIAV-AWEZNQCLSA-N 276.384 1.700 70 50 CDIA CC1(C(=O)NS(=O)(=O)c2ccccc2Cl)CC1 161182668 TZDLEGBEBGPAOB-UHFFFAOYSA-N 273.741 1.945 70 50 CDIA Nc1cc(C(=O)NC[C@H]2CCN(C3CCCCC3)C2)n[nH]1 218203270 SYPVRQRVUBMVMX-LLVKDONJSA-N 291.399 1.376 70 50 CDIA COc1cccc(F)c1C(=O)NCCc1nnc(C)s1 218394309 OUFZFCIZHOFVID-UHFFFAOYSA-N 295.339 1.967 70 50 CDIA CC(C)c1cc(C(=O)N[C@@H]2CCOC[C@H]2O)cs1 218462745 GRKZBPYJDDQAQM-GHMZBOCLSA-N 269.366 1.751 70 50 CDIA O=S(=O)(F)CCCOc1ccc2c(c1)OCO2 675064130 BZYDAWIJCWQISL-UHFFFAOYSA-N 262.258 1.484 70 50 CDIA O=C(NC[C@H]1CCCO1)c1ccc([B-](F)(F)F)cc1 169746055 BMPRYXAJXNLVKX-LLVKDONJSA-N 272.055 1.650 70 50 CDIA CC(=O)N1c2ccc(S(=O)(=O)Cl)cc2C[C@@H]1C 100023856 VMIKNPLJAZXOOM-ZETCQYMHSA-N 273.741 1.912 70 50 CDIA CCO[C@@H](C)C(=O)N[C@H]1CCN(c2ccccc2OC)C1 161172551 AKEDXBJIUARVEI-STQMWFEESA-N 292.379 1.815 70 50 CDIA CCc1ncnc(N2CCC[C@@H]2CN2CCOCC2)c1F 160423259 MUJXOFPSIQPULA-GFCCVEGCSA-N 294.374 1.479 70 50 CDIA CCNC(=O)CCc1ccc(OS(=O)(=O)F)cc1 1875374100 AKBVOAMGFMIWHY-UHFFFAOYSA-N 275.301 1.348 70 50 CDIA O=S(=O)(Cl)c1c(Cl)nc2sccn12 95747934 APRATEMYDZDYJD-UHFFFAOYSA-N 257.123 1.977 70 50 CDIA O=C1Cc2cc(S(=O)(=O)Cl)c(Cl)cc2N1 100131830 AFFKEZJREGYOPJ-UHFFFAOYSA-N 266.105 1.762 70 50 CDIA CNC[C@H]1CCCN1C(=O)c1cccc(-n2ccnc2)c1 161354622 XURRHQXDWRFESK-OAHLLOKOSA-N 284.363 1.696 70 50 CDIA Cc1cccnc1CN(C)C(=O)c1cc(CO)ccn1 217447244 OHUKPDPFEOWVDL-UHFFFAOYSA-N 271.320 1.550 70 50 CDIA Cn1nccc1CCNC(=O)c1scc2c1OCCO2 217579346 QBLDGNHLHKVKBJ-UHFFFAOYSA-N 293.348 1.225 70 50 CDIA COc1ccc(O)c(C(=O)N[C@H](C)c2n[nH]c(C)n2)c1 217786879 MEMMCJWLPVQPOG-SSDOTTSWSA-N 276.296 1.318 70 50 CDIA CCOC(=O)c1sc(S(=O)(=O)Cl)nc1C 95676416 CHGYKFWENBEGJU-UHFFFAOYSA-N 269.731 1.556 70 50 CDIA CSCC[C@@H](O)C(=O)NCc1cc(CC(C)C)no1 218742756 CQVRODXWZKSODR-GFCCVEGCSA-N 286.397 1.603 70 50 CDIA CCc1nc(CCNC(=O)c2ccc(OC)cc2O)no1 218244542 GSOQNGGORLAIPY-UHFFFAOYSA-N 291.307 1.319 70 50 CDIA CCn1nc(C)c([C@@H](C)NC(=O)COCCOC)c1C 218642643 FWKCZVPWXMVSFH-SNVBAGLBSA-N 283.372 1.360 70 50 CDIA O=C1CCCN1c1ccc(S(=O)(=O)Cl)cc1 59677484 OUAVTZYGHGCCCB-UHFFFAOYSA-N 259.714 1.741 70 50 CDIA in-vitro COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cc(N)[nH]n1 218665080 NFXRLQATJBLBCA-LBPRGKRZSA-N 286.335 1.808 70 50 CDIA COc1cn(CC(=O)NCCc2ccco2)c(C)cc1=O 218195958 MZTIQZMXNZSZRZ-UHFFFAOYSA-N 290.319 1.117 70 50 CDIA Cn1cc(NC(=O)CC2(n3cccc3)CCOCC2)cn1 218334614 SAVVIIWIWLJRDZ-UHFFFAOYSA-N 288.351 1.756 70 50 CDIA CCC1=NO[C@H](C(=O)N2CCC(c3nnc[nH]3)CC2)C1 218402162 JNMFPPVGKHGFPX-NSHDSACASA-N 277.328 1.066 70 50 CDIA O=C(c1cc[nH]n1)N1CCCN(Cc2ccncc2)CC1 216970254 MACRLHIBLCUSOE-UHFFFAOYSA-N 285.351 1.153 70 50 CDIA Cc1cc(=O)c(O)c([C@H](CC(N)=O)CC(C)C)o1 217729072 RKEUPAOPKSFHNR-VIFPVBQESA-N 253.298 1.659 70 50 CDIA biogenic COC(=O)c1ccc(C(F)(F)F)cc1S(C)(=O)=O 217046052 UBYCAYQBVIHEER-UHFFFAOYSA-N 282.239 1.896 70 50 CDIA Cc1cc(N)n(CC(=O)N2CCC(c3ccncc3)CC2)n1 217001157 SSFFRUGZDFGTFB-UHFFFAOYSA-N 299.378 1.575 70 50 CDIA CC[C@@H](C)CS(=O)(=O)N1CCOc2ccncc21 160984911 QPNNWHZIAGXMEP-SNVBAGLBSA-N 270.354 1.656 70 50 CDIA Cc1ccccc1[C@H](O)CNC(=O)[C@H]1CCCNC1 159843619 IXMVTVIMDNGKTC-GXTWGEPZSA-N 262.353 1.144 70 50 CDIA CC[C@H](OC)C(=O)N1CC(Oc2ccccc2F)C1 218183997 PBWANTNFERGZPU-LBPRGKRZSA-N 267.300 1.840 70 50 CDIA COc1cc2c(cc1Cl)CN(S(=O)(=O)F)CC2 1875374841 GYMZGMVTDLOLCU-UHFFFAOYSA-N 279.720 1.921 70 50 CDIA C[C@H]1CN(C(=O)CCc2cc(F)ccc2F)CCN1 217217160 ZZAZNWMDRJMOSN-JTQLQIEISA-N 268.307 1.718 70 50 CDIA Cn1cc([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)cn1 218255990 MEAKSHCQAHAEKG-SECBINFHSA-N 272.260 1.590 70 50 CDIA C[C@@H](c1ccc(S(C)(=O)=O)cc1)S(=O)(=O)F 757178142 SJJYFHDOKKORMU-ZETCQYMHSA-N 266.315 1.450 70 50 CDIA COc1ccc(NC(C)=O)cc1S(=O)(=O)Cl 100039560 VWKRNDWDKNOMAD-UHFFFAOYSA-N 263.702 1.581 70 50 CDIA Cc1csc(CN(C)C(=O)COc2cccnc2)n1 218009344 APISQYQKSAKUSR-UHFFFAOYSA-N 277.349 1.884 70 50 CDIA CSCC[C@H](NC(C)=O)C(=O)N(C)Cc1ccc(C)o1 218481773 HNUQXPWVRUGKSB-ZDUSSCGKSA-N 298.408 1.804 70 50 CDIA CC(=O)c1ccc(N2CCN(C[C@@H]3[C@H]4CNC[C@H]43)CC2)cc1 217639163 KNFVRBYULROTMH-PIIMJCKOSA-N 299.418 1.477 70 50 CDIA Cc1ncncc1C(=O)N[C@H]1c2ccccc2C[C@@H]1O 159874604 IRMGDLNTRHMJEE-KBPBESRZSA-N 269.304 1.173 70 50 CDIA CCS(=O)(=O)c1ccc(S(=O)(=O)Cl)cc1 59222011 HFRRPNALBUTUND-UHFFFAOYSA-N 268.743 1.408 70 50 CDIA in-vitro O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CC(O)C1 161443716 UDGBZOCHZYPXBL-AWEZNQCLSA-N 277.320 1.061 70 50 CDIA CN(CCc1nccc(C(F)(F)F)n1)S(=O)(=O)F 1875375079 PUGPXZJGCCLBEJ-UHFFFAOYSA-N 287.238 1.184 70 50 CDIA CNC(=O)[C@@H]1CCCCN1C(=O)CCc1cccnc1 218684572 YBKOTICDADYVPS-ZDUSSCGKSA-N 275.352 1.141 70 50 CDIA COc1ccc(N2CCCC2=O)cc1S(=O)(=O)Cl 100480696 RPCQDKRLVBOZRB-UHFFFAOYSA-N 289.740 1.750 70 50 CDIA Cc1cc(CC(=O)N2CCC[C@H]2c2nc(C)n[nH]2)on1 218012288 WRBAMCRATPONKZ-NSHDSACASA-N 275.312 1.316 70 50 CDIA O=S(=O)(F)c1ncc(F)cc1Br 1775955147 XQPUDFGTZPNUQY-UHFFFAOYSA-N 258.043 1.641 70 50 CDIA Cc1cc(N2CCN(C(=O)c3ccnnc3)CC2)cc(C)n1 218228885 WLIKIGFXKCJFAI-UHFFFAOYSA-N 297.362 1.451 70 50 CDIA CCCc1cc(CN(C)C(=O)C(=O)N2CCCCC2)n[nH]1 216922301 IVAPBASSJDTYPJ-UHFFFAOYSA-N 292.383 1.333 70 50 CDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cccs1 218113575 AZZVALJPPRNWCP-SPFNVWMYSA-N 267.350 1.528 70 50 CDIA O=[N+]([O-])c1c(F)cc(S(=O)(=O)Cl)cc1F 263623646 JGVGCGCFGKXSRX-UHFFFAOYSA-N 257.601 1.801 70 50 CDIA Cc1nn2cc(Br)cnc2c1S(=O)(=O)F 675063222 OEMARKGWVWXDKC-UHFFFAOYSA-N 294.105 1.458 70 50 CDIA O=C1N(Cc2ccccc2)CCN1S(=O)(=O)Cl 100583247 NRJVEVIRPYLODH-UHFFFAOYSA-N 274.729 1.408 70 50 CDIA in-vitro CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1 100361384 ZHCBIWRMYWDSNE-UHFFFAOYSA-N 289.161 1.671 70 50 CDIA O=C(NCc1nc(-c2ccccc2)n[nH]1)c1ccnnc1 217504772 RKFKXAOIMUVPFC-UHFFFAOYSA-N 280.291 1.192 70 50 CDIA O=C(CCC(F)(F)F)NCc1cnn2cccnc12 217839685 GTYLGTBNQKXORO-UHFFFAOYSA-N 272.230 1.688 70 50 CDIA c1ccc(Cn2cc(CNc3ncncn3)cn2)cc1 218657838 GOTQACSVPVQYSP-UHFFFAOYSA-N 266.308 1.729 70 50 CDIA NC[C@H]1CCCN1C(=O)c1cccc(Oc2cnccn2)c1 160263300 FOTJFGMROJOHSE-CYBMUJFWSA-N 298.346 1.832 70 50 CDIA O=C(Cn1nc(C2CC2)nc1C1CC1)NCC1CCC1 161485857 KEOIIHNSVFYSTH-UHFFFAOYSA-N 274.368 1.949 70 50 CDIA O=C(c1cc(Cl)ccc1F)N1CCC[C@@](O)(CO)C1 217154619 ZWNLUSUWWRFRSN-ZDUSSCGKSA-N 287.718 1.439 70 50 CDIA Nc1cnc(-c2cccc(OS(=O)(=O)F)c2)nc1 1875368354 LCAXIXIJNBCBLW-UHFFFAOYSA-N 269.257 1.319 70 50 CDIA Cc1nn(C)cc1C(=O)NCCNC1CCCCCC1 159628892 KGBGNBTXVGENRE-UHFFFAOYSA-N 278.400 1.771 70 50 CDIA OCc1ccc(N2CCOCC2)c(Br)c1 218781297 HYGWTYICQNHBJM-UHFFFAOYSA-N 272.142 1.778 70 50 CDIA Cc1ccc(-c2cc(C(=O)NC3(CO)CC3)[nH]n2)cc1 160329833 KBTJWDLZPFQXTI-UHFFFAOYSA-N 271.320 1.640 70 50 CDIA CSCCC(=O)NC[C@H](C)Oc1cccnc1 218137322 DLBSMNJIXMTHNK-JTQLQIEISA-N 254.355 1.718 70 50 CDIA Cc1ccccc1[C@@H](O)CNC(=O)[C@@H]1CCCNC1 159843499 IXMVTVIMDNGKTC-OCCSQVGLSA-N 262.353 1.144 70 50 CDIA Cc1ccc(OCC(=O)N[C@H]2C[C@@H]3OCC[C@H]23)cc1 218597375 GOUXVTZUUHZYBC-RDBSUJKOSA-N 261.321 1.667 70 50 CDIA CCOc1ccc2c(c1)CN(S(=O)(=O)F)CC2 1875375057 PGLRRQJCINBNFR-UHFFFAOYSA-N 259.302 1.658 70 50 CDIA Cc1cc(CN2CCCn3nc(CO)cc3C2)on1 217498691 RLDUBYSHWAIQMX-UHFFFAOYSA-N 262.313 1.078 70 50 CDIA COC(=O)CCc1ccc(S(=O)(=O)Cl)cc1 59796780 MLBUSWRSGABXFY-UHFFFAOYSA-N 262.714 1.720 70 50 CDIA Cn1ccnc1C(=O)N[C@@H]1CCOC[C@H]1OCC1CCC1 218434653 RUYBXHISOZVKAZ-CHWSQXEVSA-N 293.367 1.124 70 50 CDIA O=C(NCCc1noc(C2CCC2)n1)[C@H]1CCCO1 217624501 UCVCURKCNRERNU-SNVBAGLBSA-N 265.313 1.175 70 50 CDIA COc1ccc([SiH](c2ccccc2)c2ccccc2)cc1 169817078 WWSJRHRWFJXYDC-UHFFFAOYSA-N 290.438 1.944 70 50 CDIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cccc2cccnc12 218261196 DXMWXEACHYZILA-LBPRGKRZSA-N 296.330 1.567 70 50 CDIA Cc1nc([C@H](C)NC(=O)CN2CCCCCC2)n[nH]1 217498078 IQLLOGSQGCVWBV-JTQLQIEISA-N 265.361 1.166 70 50 CDIA COC(=O)c1cc(S(=O)(=O)Cl)c(OC)cc1F 536948623 AATHIWGAMVPUCT-UHFFFAOYSA-N 282.676 1.548 70 50 CDIA COc1ccc(OS(=O)(=O)C(F)(F)F)cc1 100021929 XSTNIRWDULKNJE-UHFFFAOYSA-N 256.201 1.924 70 50 CDIA in-vitro CSCC[C@H](O)C(=O)N(C)Cc1nc2ccccc2[nH]1 217643787 NDEMWXRSVXEDCX-LBPRGKRZSA-N 293.392 1.635 70 50 CDIA O[C@@H]1CCCN(C[C@@H](O)COCc2ccccc2)C1 217578660 LIMHTERJJLZADQ-HUUCEWRRSA-N 265.353 1.021 70 50 CDIA Cc1sc(-n2cccc2)nc1C(=O)N[C@H](CO)C(C)C 218274650 QSGQBBHFPOHOSJ-LLVKDONJSA-N 293.392 1.989 70 50 CDIA CN(C)[C@@H](Cc1ccccc1)C(=O)NCCc1ccncc1 217210235 CGJFOTRXEBIZFB-KRWDZBQOSA-N 297.402 1.913 70 50 CDIA COC(=O)c1ccc2cc(S(=O)(=O)F)ccc2n1 1772716847 BKYVCUJBMCEZMP-UHFFFAOYSA-N 269.253 1.680 70 50 CDIA C[Si](C)(C)c1cccnc1OS(=O)(=O)C(F)(F)F 169794824 SXIBFUWSBRRXRJ-UHFFFAOYSA-N 299.346 1.855 70 50 CDIA Nc1cc(Br)cc(S(=O)(=O)F)c1 757566436 LWSVLHXMOMFFJM-UHFFFAOYSA-N 254.080 1.690 70 50 CDIA Cc1ccccc1[C@@H]1CN(C(=O)CCN)[C@@H](C)CO1 161467892 VBWJZMQXVUUYKV-JSGCOSHPSA-N 262.353 1.632 70 50 CDIA C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CS(=O)(=O)F)C1 521396988 DGGWBXFRBOCJGC-OPRDCNLKSA-N 263.334 1.180 70 50 CDIA Cc1nc(NCCc2cc[nH]n2)cc(C2CC(O)C2)n1 218279534 UDKZXRKDLRDYRF-UHFFFAOYSA-N 273.340 1.401 70 50 CDIA Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2cccc(O)c2)o1 217779557 OETJFOHOOBGVRQ-LLVKDONJSA-N 289.287 1.367 70 50 CDIA biogenic CSCCC(=O)N[C@@H]1CCCN(Cc2cccnc2)C1 218480097 ZRHXTVOQAARVCO-CQSZACIVSA-N 293.436 1.915 70 50 CDIA Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(F)c(Cl)c1 218367641 ICYXEDLUGKZINI-MRVPVSSYSA-N 297.717 1.811 70 50 CDIA CO[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1cc(C)[nH]c(=O)c1)C2 217504265 IXSOSDFCVTWPHJ-YABSGUDNSA-N 276.336 1.180 70 50 CDIA C[C@@H](Cc1cccnc1)NC(=O)CN1CCCCCC1=O 217165529 JOKGOVMYGXEUPD-ZDUSSCGKSA-N 289.379 1.531 70 50 CDIA Cc1ncncc1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 159874470 IRMGDLNTRHMJEE-UONOGXRCSA-N 269.304 1.173 70 50 CDIA N#Cc1ccc(Br)c(OS(=O)(=O)F)c1 1875389961 YJXZCHNFEMYHBO-UHFFFAOYSA-N 280.074 1.914 70 50 CDIA CC(=O)NC1(c2ccc(OS(=O)(=O)F)cc2)CC1 1875376053 XEHMBQYFTVDTDQ-UHFFFAOYSA-N 273.285 1.405 70 50 CDIA O=C(NCc1ccco1)N1CCCn2nc(CO)cc2C1 217706967 QEYXGJCRCOVXKS-UHFFFAOYSA-N 290.323 1.084 70 50 CDIA O=C(OCCNc1cccnn1)[C@H]1OCCc2ccccc21 161105046 TZXLCMOEJSBGGW-HNNXBMFYSA-N 299.330 1.746 70 50 CDIA CSCC[C@@H](O)C(=O)NCc1cn2ccc(C)cc2n1 217738063 PDBGBKSENLGHLK-GFCCVEGCSA-N 293.392 1.373 70 50 CDIA C[C@@H](N)C(=O)N(CCc1cccc(F)c1)C1CC1 160114667 LVSACRMKLOVRKB-SNVBAGLBSA-N 250.317 1.706 70 50 CDIA Cc1cccc2cc(C(=O)N3CC[C@@H](CO)[C@@H](O)C3)oc12 217052834 LEOARMKYHAJDEV-STQMWFEESA-N 289.331 1.557 70 50 CDIA O=C(CCl)N[C@@H]1c2ccccc2CC[C@@H]1CO 149034883 ULZQHEZREYXILL-MFKMUULPSA-N 253.729 1.637 70 50 CDIA NC(=O)CN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 161137572 KLHPPJXIDWLTSI-MNOVXSKESA-N 288.269 1.298 70 50 CDIA Cc1c[nH]c(CN(C)C(=O)c2ccc(CN)cc2)n1 218273462 CVFNJLSUECMULY-UHFFFAOYSA-N 258.325 1.449 70 50 CDIA CCc1csc(CNC(=O)[C@@H](O)CCSC)n1 218778441 DJKDTKKUIUIONP-VIFPVBQESA-N 274.411 1.436 70 50 CDIA CNC[C@H]1CCCN1C(=O)CCc1c(C)nn(C)c1C 161272952 MSHDQKHTBJVUJA-CYBMUJFWSA-N 278.400 1.180 70 50 CDIA C[C@@H](O)c1cc2n(n1)CCN(CCc1cscn1)C2 217113432 SBKNOVFVRWBGLJ-SNVBAGLBSA-N 278.381 1.451 70 50 CDIA COC(=O)c1ccc(OC)cc1OS(=O)(=O)F 1875375663 ISGRCRJBVZWNOP-UHFFFAOYSA-N 264.230 1.075 70 50 CDIA N#Cc1ccccc1OS(=O)(=O)C(F)(F)F 136138805 BLCNYQRVZUFCJU-UHFFFAOYSA-N 251.185 1.787 70 50 CDIA COc1ccc(Cl)cc1C(=O)N[C@@H]1CCOC[C@H]1O 218056123 STUMSGOMPQTGRD-GHMZBOCLSA-N 285.727 1.228 70 50 CDIA Cc1noc2nc3c(c(C(=O)NC4CC4)c12)CCC3 218136058 ARMUTQXSMIWRSQ-UHFFFAOYSA-N 257.293 1.912 70 50 CDIA COCc1cc(C(=O)N2CCC[C@@H]2CN)ccc1F 160153740 MMLVORYUUQSXFC-GFCCVEGCSA-N 266.316 1.535 70 50 CDIA Cc1nc(S(=O)(=O)F)ccc1Br 1772717467 DZKGDIRNWZZTSY-UHFFFAOYSA-N 254.080 1.811 70 50 CDIA C[C@@H](Sc1nncn1C)C(=O)NCC1(C2CC2)CC1 159663074 VYSJNSVWEAYWNH-SECBINFHSA-N 280.397 1.602 70 50 CDIA O=C(Nc1ccc(S(=O)(=O)F)cc1)c1ccncc1 123108001 LKPOSUBYPBUBFE-UHFFFAOYSA-N 280.280 1.992 70 50 CDIA C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](CS(=O)(=O)F)C1 521396986 DGGWBXFRBOCJGC-BBBLOLIVSA-N 263.334 1.180 70 50 CDIA CC(C)=CCO[C@H]1CCOC[C@H]1Nc1nccc(N)n1 218734268 JSJACCXBKNYKRT-NEPJUHHUSA-N 278.356 1.611 70 50 CDIA CCn1ccc(=NCc2cccc(S(=O)(=O)F)c2)[nH]1 1875369672 ASNLSYZIPQMAPJ-UHFFFAOYSA-N 283.328 1.595 70 50 CDIA O=C(O)c1ccc(S(=O)(=O)F)c(Br)c1 238850504 BXXKIEXNNBQETA-UHFFFAOYSA-N 283.074 1.806 70 50 CDIA CSc1ccc(C(=O)N2CCC[C@](O)(CO)CC2)cc1 217839061 KTPOSNQMNYTNNE-OAHLLOKOSA-N 295.404 1.758 70 50 CDIA C[C@@]1(CS(=O)(=O)F)CN(Cc2ccccc2)C1=O 1536220506 SYSJWDYCMFEWIR-LBPRGKRZSA-N 271.313 1.334 70 50 CDIA O=C(c1ccc(OS(=O)(=O)F)cc1)c1cccnc1 1875374147 CKBMTKSHGYHOHG-UHFFFAOYSA-N 281.264 1.906 70 50 CDIA CCc1c(C)nn(CCNC(=O)[C@@H]2CCCO2)c1C 218259836 NWQYSDCBXTXSSC-ZDUSSCGKSA-N 265.357 1.358 70 50 CDIA CCc1noc([C@@H](C)N(CC)Cc2cnn(C)c2)n1 161119251 MNISDRMBAWQNES-SNVBAGLBSA-N 263.345 1.949 70 50 CDIA CN1CCC[C@@]2(CCCN(C(=O)c3ccncc3O)C2)C1 216984708 KPIGTTXKZYZDFP-MRXNPFEDSA-N 289.379 1.735 70 50 CDIA CCc1nccc(CN2C[C@H]3[C@H](CN(C)C)[C@H]3C2)n1 217349125 IDRSAOKZANJTOM-ZSOGYDGISA-N 260.385 1.278 70 50 CDIA O=S(=O)(Cl)c1csc(C2OCCO2)c1 1536221932 MNNTXNSTMRXHOY-UHFFFAOYSA-N 254.716 1.721 70 50 CDIA O=S(=O)(F)N1CCc2c(ccc(F)c2F)C1 1875375163 SPYICMXRNKYTFE-UHFFFAOYSA-N 251.229 1.537 70 50 CDIA CC1(C)OC[C@H](CN=C=NC[C@H]2COC(C)(C)O2)O1 16605393 QHHHYLFZGYIBCX-QWRGUYRKSA-N 270.329 1.463 70 50 CDIA O=C(Cc1ccc(O)c(F)c1)NCCc1cn[nH]c1 217168508 LVCVYBYZQUYCLF-UHFFFAOYSA-N 263.272 1.156 70 50 CDIA CCn1nc(C)c([C@H](C)NC(=O)COCCOC)c1C 218642702 FWKCZVPWXMVSFH-JTQLQIEISA-N 283.372 1.360 70 50 CDIA CCNc1nc(C)c(C(=O)N[C@H](C)Cn2cccn2)s1 217578937 POGJLMHNEPQNEJ-SECBINFHSA-N 293.396 1.898 70 50 CDIA C[C@H]1Oc2ccc(S(=O)(=O)Cl)cc2NC1=O 59681265 VDOUTDKFANTPPX-RXMQYKEDSA-N 261.686 1.334 70 50 CDIA CC(C)CSCCCNC(=O)[C@H]1CSC(=O)N1 160687354 AQNGDXFSCHCAMC-SECBINFHSA-N 276.427 1.707 70 50 CDIA COC[C@@H]1CCN(C(=O)C2(Cn3ccnc3)CC2)C1 218181587 JPKOGUNKNPVRAJ-GFCCVEGCSA-N 263.341 1.158 70 50 CDIA CO[C@H]1CCCN([C@H]2CCCN(c3cnn(C)c3)C2=O)C1 160442129 IPJWLKYISJOMBS-KBPBESRZSA-N 292.383 1.026 70 50 CDIA O=S(=O)(F)c1c[nH]c2nccc(Br)c12 675065749 OKFPGQJYFVNPKY-UHFFFAOYSA-N 279.090 1.984 70 50 CDIA O=C(Cc1c[nH]cn1)N1CCC[C@H]1c1ccccn1 217066963 BOFVJRGDIWEKFK-ZDUSSCGKSA-N 256.309 1.711 70 50 CDIA CSCCC(=O)NC[C@@H](C)Oc1cccnc1 218137243 DLBSMNJIXMTHNK-SNVBAGLBSA-N 254.355 1.718 70 50 CDIA CC(C)(C)OC(=O)N1CCC[C@@]2(CNC(=O)N2)C1 217820937 PKVYUSBDUFITPM-GFCCVEGCSA-N 255.318 1.069 70 50 CDIA CCOC(=O)C[C@H](Cc1ccccc1)NC(=O)CCl 147249095 COHRAXAJPHYXRC-LBPRGKRZSA-N 283.755 1.906 70 50 CDIA Cn1ncnc1-c1cccc(OS(=O)(=O)F)c1 1875374255 HIXZXVMBRAGPMF-UHFFFAOYSA-N 257.246 1.075 70 50 CDIA O=C(O)c1cc(S(=O)(=O)Cl)c(F)c(F)c1F 100517821 KYCIYMJZKNUQTD-UHFFFAOYSA-N 274.603 1.730 70 50 CDIA Cc1cnccc1CN(C)C(=O)[C@H](C)Cn1cncn1 218224894 DDCIHHAOWGPVSO-GFCCVEGCSA-N 273.340 1.276 70 50 CDIA Cc1nc(C)n(CCCNC(=O)Cc2cccnc2)n1 218776630 MJOGJKSBDCHJHD-UHFFFAOYSA-N 273.340 1.039 70 50 CDIA O=C(NCCCc1ncc[nH]1)[C@H](O)c1ccccc1Cl 218288043 PCHXIGRBDDQRGI-CYBMUJFWSA-N 293.754 1.846 70 50 CDIA O=C(C1CC1)N1CCc2cc(S(=O)(=O)Cl)ccc21 59103801 QZQRQRONDFXNPD-UHFFFAOYSA-N 285.752 1.913 70 50 CDIA Cc1cc(N)n(CC(=O)N(C)Cc2csc(C)n2)n1 217946858 DSCFWKUAFQJDCK-UHFFFAOYSA-N 279.369 1.197 70 50 CDIA CC[C@@H](C)[C@@H](CO)NC(=O)c1c[nH]c(=O)c2ccccc12 218309151 KNKZCDDKUGXVFV-QMTHXVAHSA-N 288.347 1.665 70 50 CDIA COC[C@@H]1[C@@H](NC(=O)c2cc(C)nc(C)c2)[C@@H]2CCO[C@@H]21 218521732 BFNDRTZUZGAWSB-XGUBFFRZSA-N 290.363 1.478 70 50 CDIA O=C(c1cnccn1)N1CCC([C@@H](O)c2ccccn2)CC1 218180637 XOIPNUUYDXIMNZ-OAHLLOKOSA-N 298.346 1.457 70 50 CDIA Cc1cc2c(c(=O)[nH]1)[C@@H](c1cccc(O)c1)CC(=O)O2 217812323 MZZJZPVPEXSURS-LLVKDONJSA-N 271.272 1.830 70 50 CDIA biogenic COC(=O)C1(N(C)Cc2nc(C)no2)CCCC1 159458286 SNMICFJKVSVMHK-UHFFFAOYSA-N 253.302 1.296 70 50 CDIA COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)F 675065737 NUZKNVONBNQHJH-UHFFFAOYSA-N 273.285 1.702 70 50 CDIA C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[C@H]1CN 160200502 YDXIZHFPMGTGCR-JQWIXIFHSA-N 266.316 1.543 70 50 CDIA NC[C@@H]1CCCN1C(=O)/C=C/c1ccc2c(c1)OCCO2 160129311 LJGJITNLXXZTBE-BPJJOFIESA-N 288.347 1.421 70 50 CDIA O=C(Cn1cc(-c2ccccc2)ncc1=O)NC1CC1 218354009 WNEODLQIHIYDMC-UHFFFAOYSA-N 269.304 1.189 70 50 CDIA CCOC(=O)C12CC(CS(=O)(=O)Cl)(C1)OC2(C)C 1536220456 OUUPGOPBDRYEAX-UHFFFAOYSA-N 296.772 1.446 70 50 CDIA c1cncc(COC2CCN(c3ncncn3)CC2)c1 218315649 QBUMNRHKGLIXQA-UHFFFAOYSA-N 271.324 1.452 70 50 CDIA O=S(=O)(F)N1CCc2cc(F)c(F)c(F)c2C1 1875375136 RXFNJBVEBBAUHB-UHFFFAOYSA-N 269.219 1.676 70 50 CDIA COCCN1C[C@H](Cc2cccc(N(C)C)c2)CC1=O 218153699 YZSVNZXPEBKCPF-CQSZACIVSA-N 276.380 1.790 70 50 CDIA COc1cc(F)c(S(=O)(=O)Cl)cc1OC 100544912 MTCNVXSVITXLCE-UHFFFAOYSA-N 254.666 1.770 70 50 CDIA Cc1cc(C)n(CCCN(C)C(=O)Cc2nonc2C)n1 217067684 VCUOVPPRKDZDGD-UHFFFAOYSA-N 291.355 1.283 70 50 CDIA Cc1cc(C[C@H](C)NC(=O)Cc2cccnc2)n[nH]1 161116988 NRLPYOWLDIDUBJ-JTQLQIEISA-N 258.325 1.403 70 50 CDIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(O)c(Cl)c1 218185832 IRKXSKKEULUGCR-QMMMGPOBSA-N 295.726 1.378 70 50 CDIA N#Cc1ccc(S(=O)(=O)F)cc1Br 253388138 ZGKJNHOBNGJYLZ-UHFFFAOYSA-N 264.075 1.979 70 50 CDIA CN(C)CC[C@@H]1CCCCN1C(=O)C(=O)c1cccnc1 217163269 OPEDEBFPSNBCRF-AWEZNQCLSA-N 289.379 1.597 70 50 CDIA CCOc1ccc(NC(=O)NC)cc1S(=O)(=O)Cl 95698134 PUKFBZVNSKFURZ-UHFFFAOYSA-N 292.744 1.764 70 50 CDIA Cc1ccc(S(=O)(=O)NC[B-](F)(F)F)cc1 200976427 BXRJTNUZCULLBT-UHFFFAOYSA-N 252.046 1.660 70 50 CDIA in-vitro O=C(O)c1cc(S(=O)(=O)Cl)cnc1Cl 100027299 LZTZZRPMYAKSFU-UHFFFAOYSA-N 256.066 1.361 70 50 CDIA CCCc1cc(C(=O)N[C@H](C)c2n[nH]c(=O)[nH]2)cs1 217147900 KCLNBSYDXXCLQR-SSDOTTSWSA-N 280.353 1.603 70 50 CDIA C[C@H](Cc1cccnc1)NC(=O)CN(C)Cc1cccnc1 217899896 LXFBXTPSZDMIDG-CQSZACIVSA-N 298.390 1.656 70 50 CDIA Cc1nnc(CNC(=O)CCN2CCCCCCC2)o1 217215224 LHTLYNTTWHXWJB-UHFFFAOYSA-N 280.372 1.650 70 50 CDIA O=C(O)CCCOc1ccc(S(=O)(=O)F)cc1F 238852839 HHYOVCRGISOGEZ-UHFFFAOYSA-N 280.248 1.728 70 50 CDIA CCN1C(=O)CCc2c(OS(=O)(=O)F)cccc21 1875374506 UGAQLVWWXSMXGU-UHFFFAOYSA-N 273.285 1.579 70 50 CDIA CNC(=O)c1cc(Cl)cc(S(=O)(=O)Cl)c1OC 114559988 BYEHDACQOCMNTN-UHFFFAOYSA-N 298.147 1.636 70 50 CDIA in-vitro C[C@@H](N)C(=O)N1C[C@H](c2ccccc2Cl)OC[C@H]1C 159836584 XPRIDRFWKZHZEQ-GIPNMCIBSA-N 282.771 1.976 70 50 CDIA Cc1cc(C(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3N(C)C)cc(=O)[nH]1 217168470 XRLFGGOIYDDBFN-JYAVWHMHSA-N 289.379 1.096 70 50 CDIA CC(=O)c1cc(CN2C[C@H]3[C@H](CN(C)C)[C@H]3C2)n(C)c1 217605291 BXGASHYKYOZHBL-PHZGNYQRSA-N 275.396 1.467 70 50 CDIA F[B-](F)(F)c1ccnc(N2CCOCC2)c1Cl 230545946 DGIWOVMRBCNJCX-UHFFFAOYSA-N 265.451 1.626 70 50 CDIA CC[C@@H](NC(=O)c1cnn(C)c1)c1c(C)noc1C 160326554 DMDUIXQWOFPBQR-LLVKDONJSA-N 262.313 1.906 70 50 CDIA CCNc1nc(C)c(C(=O)N[C@@H](C)Cn2cccn2)s1 217578844 POGJLMHNEPQNEJ-VIFPVBQESA-N 293.396 1.898 70 50 CDIA CN(C[C@H]1COCCO1)C(=O)Cc1ccc(O)c(Cl)c1 217207792 DMZGTIJDBFNORJ-NSHDSACASA-N 299.754 1.462 70 50 CDIA COc1cccc2c1CC[C@H]2NC(=O)c1c[nH]nn1 160087090 DSQVBXCHCQOZGD-SNVBAGLBSA-N 258.281 1.231 70 50 CDIA CC[C@H](NC(=O)c1ccc(O)c(C)c1)C1CC(O)C1 218757884 IWMOKHMYYCGYDS-BPCQOVAHSA-N 263.337 1.980 70 50 CDIA Cc1cccc([C@H]2CCCN(C(=O)CNC(N)=O)C2)c1 216973456 BMDGWJGQWNAHAI-ZDUSSCGKSA-N 275.352 1.369 70 50 CDIA Cc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CSCN2)CCO1 160839511 JZWRPWFBOBTGBW-KBPBESRZSA-N 292.404 1.557 70 50 CDIA O=S(=O)(F)CCn1ccc(-c2cccs2)n1 883953239 NAXYVFOFDLOERS-UHFFFAOYSA-N 260.315 1.911 70 50 CDIA CN1CC[C@@H]2CN(C(=O)NCc3cccs3)C[C@@H]21 216847435 KTYAMXMTLSIMQA-PWSUYJOCSA-N 265.382 1.594 70 50 CDIA O=S(=O)(F)N1CCN(c2ccccc2F)CC1 1875373820 PQCHHRDWLRVIQA-UHFFFAOYSA-N 262.281 1.162 70 50 CDIA Cc1ccccc1SCC(=O)N[C@@H](C)c1n[nH]c(=O)[nH]1 217123342 VIDXYJPYHDZDFF-VIFPVBQESA-N 292.364 1.376 70 50 CDIA CC(C)(CO)NC(=O)c1ccc(Nc2ncccn2)cc1 218302095 MFUXVJMYOPMWQO-UHFFFAOYSA-N 286.335 1.721 70 50 CDIA CO[C@H]1CCN(C(=O)c2cnc(SC)nc2)C1 218627870 ULRJSRMBFQBODL-VIFPVBQESA-N 253.327 1.059 70 50 CDIA O=C1CCCN1c1ccccc1OS(=O)(=O)F 1875374557 WLUBVNOBUZRKMV-UHFFFAOYSA-N 259.258 1.407 70 50 CDIA Cc1cc(CC(=O)NCc2ccccc2CN(C)C)on1 218476410 GRXCHGFQMRVQAR-UHFFFAOYSA-N 287.363 1.904 70 50 CDIA COC(=O)c1ccc(OS(=O)(=O)F)c(Cl)c1 1875375872 QRTOLCHQICBQRE-UHFFFAOYSA-N 268.649 1.720 70 50 CDIA CC1(CNC(=O)[C@H](O)c2cccc(F)c2)COC1 217423002 MVKWTVDDCFSXKF-LLVKDONJSA-N 253.273 1.012 70 50 CDIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)C1CC1 1875375648 HWEMUGGZRWNWTN-UHFFFAOYSA-N 259.258 1.628 70 50 CDIA O=C(CC1(n2cccc2)CCOCC1)Nc1nnc[nH]1 218260562 PUICULPGYHXWGM-UHFFFAOYSA-N 275.312 1.141 70 50 CDIA CN(C)c1ccc(CC(=O)N2CCO[C@@H](C3CC3)C2)cc1 216925066 FUAIWBNDVPXKHD-MRXNPFEDSA-N 288.391 1.933 70 50 CDIA CCn1ncnc1CN1CCN(C)[C@@H](c2ccccc2)C1 217890177 DMNBXKDYZHIONS-OAHLLOKOSA-N 285.395 1.787 70 50 CDIA CC(C)NC(=O)N(C)c1ccc(OS(=O)(=O)F)cc1 1875374252 HHOMHOZOSISOJV-UHFFFAOYSA-N 290.316 1.834 70 50 CDIA Cc1ccc2[nH]c(C(=O)NCCc3n[nH]c(N)n3)cc2c1 218402610 NHELUYCWKLTATF-UHFFFAOYSA-N 284.323 1.149 70 50 CDIA O=S(=O)(F)N1CCC(c2nnc3n2CCCC3)CC1 1875373963 WICBFUUCVLWSQO-UHFFFAOYSA-N 288.348 1.008 70 50 CDIA Cc1cc2c(c(=O)[nH]1)[C@@H](c1c(C)nn(C)c1C)CC(=O)O2 218273483 KLHNNJJNDKCVKN-SNVBAGLBSA-N 287.319 1.475 70 50 CDIA CCc1nnc(CNC(=O)c2ccc3c(c2)OCO3)o1 218494429 ZHPMJNDPTLDBSV-UHFFFAOYSA-N 275.264 1.291 70 50 CDIA COC(=O)CCNC(=O)c1ccc2ccn(C)c2c1 218272858 SLBHGJBBNUPTGT-UHFFFAOYSA-N 260.293 1.471 70 50 CDIA CC1(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)COC1 1875385009 KZCKMZBIHNVTQC-UHFFFAOYSA-N 289.284 1.255 70 50 CDIA Cc1ccnc(N2CCN(c3cnccn3)CC2)c1 161318025 ZGKNDNRFYRQFBJ-UHFFFAOYSA-N 255.325 1.507 70 50 CDIA CN1C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)N3CCC[C@H]3[C@@H]2C1=O 217678116 QZZNCEYZNMCPSB-XDQVBPFNSA-N 288.322 1.576 70 50 CDIA COc1cc([C@H](C)O)cc(OC)c1OS(=O)(=O)F 1875374529 VJZSMVXFGPGYEY-LURJTMIESA-N 280.273 1.350 70 50 CDIA COc1cc(NC(C)=O)ccc1S(=O)(=O)Cl 59087105 WLPIGZCIFTWOAN-UHFFFAOYSA-N 263.702 1.581 70 50 CDIA COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)F)c1OC 675064351 YGCNLVIRFDZLPD-ONEGZZNKSA-N 290.268 1.460 70 50 CDIA COc1ncccc1CN1CCCn2nc(CO)cc2C1 217525162 SWZPEHZTLDBOQA-UHFFFAOYSA-N 288.351 1.185 70 50 CDIA Cc1c[nH]c(C(=O)NCc2nc(C)c(C)s2)n1 217400066 SHQJWIJFUZAGGQ-UHFFFAOYSA-N 250.327 1.721 70 50 CDIA CCOC(=O)c1nc(S(=O)(=O)F)c2ccccn12 675066224 KFGRFLUCQUJEPW-UHFFFAOYSA-N 272.257 1.169 70 50 CDIA CN1C(=O)OCc2ccc(S(=O)(=O)Cl)cc21 220906679 SYWBFSOCUZSFDD-UHFFFAOYSA-N 261.686 1.701 70 50 CDIA in-vitro Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc2ncccc2c1 218221141 LQRVMIRACOQLLI-GFCCVEGCSA-N 296.330 1.567 70 50 CDIA COc1nc(C)cc(C)c1CN(C)S(=O)(=O)F 1875375283 XFDPKHGVLVMTTN-UHFFFAOYSA-N 262.306 1.353 70 50 CDIA CC(=O)N1CC(Nc2ccc3nc(C)c(C)nc3c2)=CC1=O 218467223 CGGPIDAUNDJQOV-UHFFFAOYSA-N 296.330 1.931 70 50 CDIA CC[C@@H](Cn1ccnc1)NC(=O)c1ccncc1O 218286933 SAWKJFBZDOZCRQ-JTQLQIEISA-N 260.297 1.192 70 50 CDIA O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1ccc2c(c1)OCCO2 218527523 FDMIJBSIZHAUOJ-MDZLAQPJSA-N 275.304 1.365 70 50 CDIA CN(CCC1CCOCC1)C(=O)Cn1ccnc1 218370590 ATCAGHMMPKLPFB-UHFFFAOYSA-N 251.330 1.158 70 50 CDIA Cc1ccc(CCNC(=O)C[C@@H]2C=CS(=O)(=O)C2)o1 218236408 USRGRNSFQYCSQT-NSHDSACASA-N 283.349 1.195 70 50 CDIA O=C(NCCc1noc(CO)n1)c1ccc2cc[nH]c2c1 217739308 WUXCYYFIGOLOMF-UHFFFAOYSA-N 286.291 1.016 70 50 CDIA CN1CCN([C@H]2CCN(C(=O)c3ccsc3)C2)CC1 217703463 UKQZMOOYAGZRST-ZDUSSCGKSA-N 279.409 1.210 70 50 CDIA CSc1ncc(C(=O)N[C@H](C)Cc2ccccn2)cn1 218079751 BHWLGUGZCRSMAY-SNVBAGLBSA-N 288.376 1.955 70 50 CDIA O[C@@H](c1cc2n(n1)CCCN(c1cnccn1)C2)C1CC1 218065900 NJCFKPHQDSRKMH-OAHLLOKOSA-N 285.351 1.527 70 50 CDIA CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)F)c1 238854037 MGIBFPMKJFLMBY-UHFFFAOYSA-N 272.706 1.402 70 50 CDIA CCc1nc(CCNC(=O)Cc2ccc(F)cc2F)no1 218336983 VWPLTABKBKEXMF-UHFFFAOYSA-N 295.289 1.812 70 50 CDIA O=C(c1cccc(S(=O)(=O)F)c1)N1CCCC1 675063298 BGKLORHCXORRCI-UHFFFAOYSA-N 257.286 1.581 70 50 CDIA C[C@@H](c1ccc(Cl)cn1)N(C)S(=O)(=O)F 1875374932 KDDVNGCCXHEBLL-LURJTMIESA-N 252.698 1.942 70 50 CDIA C[C@@H](NC(=O)C1(c2ccccc2F)CC1)c1n[nH]c(=O)[nH]1 216914516 PJYHDXAHEKLWJD-MRVPVSSYSA-N 290.298 1.146 70 50 CDIA Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc2ncccc2c1 218221205 LQRVMIRACOQLLI-LBPRGKRZSA-N 296.330 1.567 70 50 CDIA CC(C)c1nc(NC(=O)c2cc(-c3cccnc3)n[nH]2)n[nH]1 218292343 SEMCRBMNVHFVNH-UHFFFAOYSA-N 297.322 1.966 70 50 CDIA COc1ccc(S(=O)(=O)Cl)cc1C(=O)NC(C)C 100026426 NMRUTDRLGCHCIN-UHFFFAOYSA-N 291.756 1.761 70 50 CDIA CC(=O)NCC(=O)N[C@H]1CCCc2sccc21 159989088 DJZUQXWEGRKSSA-JTQLQIEISA-N 252.339 1.378 70 50 CDIA O=S(=O)(Cl)c1cnc2c(Cl)nccn12 1875361753 OKKHOAQGUICXCH-UHFFFAOYSA-N 252.082 1.310 70 50 CDIA O=C(c1cc2sccc2[nH]1)N1CC[C@@H](CO)[C@@H](O)C1 216893964 WZDQEUSMJGAIBL-KWQFWETISA-N 280.349 1.045 70 50 CDIA Cc1ccc2oc(N3CCn4nc(CO)cc4C3)nc2c1 217151871 XOZDZQYLIAGNHQ-UHFFFAOYSA-N 284.319 1.845 70 50 CDIA COc1cn(CC(=O)Nc2ncc(C)s2)c(C)cc1=O 218384572 IPNHBCNULINTAM-UHFFFAOYSA-N 293.348 1.569 70 50 CDIA O=C(NCCCc1ccco1)[C@H]1CCC[C@H](O)C1 218065814 SBCIVLKVJXJNQZ-RYUDHWBXSA-N 251.326 1.880 70 50 CDIA CNC(=O)[C@H]1CCCCN1C(=O)CCc1cccnc1 218684652 YBKOTICDADYVPS-CYBMUJFWSA-N 275.352 1.141 70 50 CDIA COc1ccc2c(c1)[C@H](C)CN(S(=O)(=O)F)CC2 1875373982 WYRDSOHQGFNZNQ-SECBINFHSA-N 273.329 1.871 70 50 CDIA COc1ccc2c(c1)CN(S(=O)(=O)F)[C@@H](C)C2 1875374023 XRYXDNIIZSLQMZ-QMMMGPOBSA-N 259.302 1.656 70 50 CDIA COC(=O)CCC(F)(F)CS(=O)(=O)Cl 1535473736 ROGNWWSHRHQSMF-UHFFFAOYSA-N 250.650 1.144 70 50 CDIA O=S(=O)(Oc1ccnc2[nH]ccc12)C(F)(F)F 100002398 LRYTVOHQGBBSAZ-UHFFFAOYSA-N 266.200 1.791 70 50 CDIA CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1S(=O)(=O)F 1875390040 NGCCJPXYPXKDEN-RNFRBKRXSA-N 253.295 1.341 70 50 CDIA CC(=O)N1CC(Nc2cccc3[nH]ccc23)=CC1=O 218506932 RZRBFCKMDZSIOA-UHFFFAOYSA-N 255.277 1.852 70 50 CDIA O=C(NC1CCN(C2CCOCC2)CC1)c1ccc[nH]1 218134123 UVGWSGLPPCQLDB-UHFFFAOYSA-N 277.368 1.388 70 50 CDIA O=C(Cc1ccccn1)NCC1(Cn2ccnc2)CC1 218270929 SXWGZDCVLMNIHP-UHFFFAOYSA-N 270.336 1.417 70 50 CDIA Cc1ccn(CCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)n1 218194066 IQQMIQWKXIQOHE-HOCLYGCPSA-N 291.395 1.735 70 50 CDIA Cn1cnc(-c2cccc(OS(=O)(=O)F)c2)n1 1875374746 ZYQVRXDDYYKYOB-UHFFFAOYSA-N 257.246 1.075 70 50 CDIA COC(=O)C(C)(C)c1ccc(S(=O)(=O)F)cc1 675066465 KDYMNRQFTCQDGY-UHFFFAOYSA-N 260.286 1.795 70 50 CDIA C[C@H]1CN(C(=O)[C@H]2Cc3ccccc3N2)C[C@@H](C)O1 159534212 FVPXPRVAVSOSRE-UHIISALHSA-N 260.337 1.659 70 50 CDIA C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)S(=O)(=O)F 1875373714 LRDISISUBDSOCI-ZETCQYMHSA-N 262.262 1.802 70 50 CDIA COCc1cc(C(=O)OC)cc(S(=O)(=O)F)c1 675064638 OGNLFSAOYVCJLT-UHFFFAOYSA-N 262.258 1.278 70 50 CDIA O=C(CN1CCCCCC1)N1CCC(n2cnnc2)CC1 217837857 ZIMPFJCBANQGHT-UHFFFAOYSA-N 291.399 1.318 70 50 CDIA C[C@@H]1C(=O)NCCN1Cc1ncc(-c2ccccc2F)o1 160353701 MHCUXUGCLCCKQJ-SNVBAGLBSA-N 289.310 1.801 70 50 CDIA CC(=O)N1CCCc2cc(OS(=O)(=O)F)ccc21 1875374736 ZRZCVANYUIIZST-UHFFFAOYSA-N 273.285 1.579 70 50 CDIA COc1cc(OC)nc(NC[C@H]2CCN(C(C)C)C2)n1 159776974 MZPZVKVIYZXUID-LLVKDONJSA-N 280.372 1.636 70 50 CDIA CN(C)CCNC(=O)c1cnc2ccc(F)cc2c1O 218286807 MLBMKCXOGNOROY-UHFFFAOYSA-N 277.299 1.371 70 50 CDIA CSCc1ccc(C(=O)NC[C@@H]2CCOC2)o1 218362753 ZYIIXVQGWYTICX-VIFPVBQESA-N 255.339 1.909 70 50 CDIA CO[C@]1(C)C[C@H](OC(=O)Cn2c(C)csc2=O)C1(C)C 159670406 GVBLFBUVPSJEKZ-IINYFYTJSA-N 299.392 1.965 70 50 CDIA COC(=O)c1ccc2ncccc2c1S(=O)(=O)Cl 1535425044 WCRYDNCMDDROJE-UHFFFAOYSA-N 285.708 1.949 70 50 CDIA C[C@@H]1O[C@H]1C(=O)N1CCc2c(cccc2S(=O)(=O)F)C1 2325827247 ZZZJWRQVDWOISG-QPUJVOFHSA-N 299.323 1.017 70 50 CDIA CC(C)c1cc(CN(C)C(=O)[C@@H]2CCCO2)on1 218094060 BYSIBTDSZPAHGL-LBPRGKRZSA-N 252.314 1.935 70 50 CDIA Cc1nonc1CC(=O)N1CCC[C@H]1c1ccccn1 216968929 AKPSDWHLYDZVQA-ZDUSSCGKSA-N 272.308 1.679 70 50 CDIA CC(C)Oc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2)cc1 217754683 TYQPVPKVUWPXNV-LNSITVRQSA-N 292.379 1.374 70 50 CDIA COC(=O)[C@@H]1CCCN(C(=O)NCCCSC)C1 160371127 FQUJUZBRKRLDOW-SNVBAGLBSA-N 274.386 1.334 70 50 CDIA CC(C)[C@@H](CO)NC(=O)c1cc(-c2ccncc2)[nH]n1 218138464 KAIVNLFDYZIECY-CYBMUJFWSA-N 274.324 1.218 70 50 CDIA Cn1cc(C(=O)Nc2cccc(OS(=O)(=O)F)c2)cn1 1875374246 GZYARHRNTPEQIA-UHFFFAOYSA-N 299.283 1.266 70 50 CDIA CCC1=NO[C@@H](C(=O)N2CCC(c3nnc[nH]3)CC2)C1 218402076 JNMFPPVGKHGFPX-LLVKDONJSA-N 277.328 1.066 70 50 CDIA Cc1ncccc1CN1CCn2nc(CO)cc2C1 217858555 PSIDJUCHNSFRDO-UHFFFAOYSA-N 258.325 1.095 70 50 CDIA O=C(CCc1cc(Cl)no1)NC[C@H]1CCCCO1 217125994 SXGBSLUUQZUBCG-SNVBAGLBSA-N 272.732 1.946 70 50 CDIA CN(Cc1ccc(OS(=O)(=O)F)cc1)Cc1cc[nH]n1 1875387406 GKGJVHXGDJYATI-UHFFFAOYSA-N 299.327 1.635 70 50 CDIA CC[C@@H](O)c1cc2n(n1)CCN(Cc1nccs1)C2 217016793 LTHQGPYZNJQEKO-GFCCVEGCSA-N 278.381 1.799 70 50 CDIA O=C([C@@H]1CCCO1)N1CCC(OCc2ccccn2)CC1 218637778 FKOSAYHTQPGLQR-HNNXBMFYSA-N 290.363 1.768 70 50 CDIA COc1ccc(F)cc1C(=O)N[C@H]1C[C@@H]2OCC[C@H]12 218249116 FUQMPMIMOROYBA-CDMKHQONSA-N 265.284 1.742 70 50 CDIA CC(C)N1CC[C@@H](CNC(=O)C(=O)c2ccco2)C1 217529936 OUYFAUNWNDZOBD-NSHDSACASA-N 264.325 1.309 70 50 CDIA Cc1cnn(C)c1CN(CCS(=O)(=O)F)CC(C)C 1875382894 WBVRXKBQIJOIDM-UHFFFAOYSA-N 291.392 1.486 70 50 CDIA CC(C)(C)OC(=O)N1CCC2(CC1)COC(=O)N2 217874798 FDSZQPNIMFIVMY-UHFFFAOYSA-N 256.302 1.496 70 50 CDIA COC(=O)CSc1ccc(OS(=O)(=O)F)cc1 1875374738 ZSHATALJBIOBPX-UHFFFAOYSA-N 280.298 1.545 70 50 CDIA O=C(c1cncc(OS(=O)(=O)F)c1)N1CC=CCC1 1875385301 QKSIDWSENUOELD-UHFFFAOYSA-N 286.284 1.077 70 50 CDIA Cc1ccccc1[C@@H]1CN(C(=O)[C@@H](C)N)[C@@H](C)CO1 161468343 PLRGZSFEYXQAFO-SCRDCRAPSA-N 262.353 1.631 70 50 CDIA Cn1ccnc1CNc1ccc(OS(=O)(=O)F)cc1 1875382340 YMFMXHAXPURLQV-UHFFFAOYSA-N 285.300 1.625 70 50 CDIA CC[C@@H](C)[C@@H](CO)NC(=O)c1cnn(C)c1-n1cccc1 218300734 SOASEDPOPIMUQR-DGCLKSJQSA-N 290.367 1.348 70 50 CDIA Cc1cc(C(=O)N[C@@H](C)c2c(C)n[nH]c2C)cc(=O)[nH]1 216980263 QMHQOCDPHXRKTQ-QMMMGPOBSA-N 274.324 1.514 70 50 CDIA CC[C@H](Cn1ccnc1)NC(=O)c1nn(C)c2ccccc12 218255834 ACPYQVZKCJQHMN-GFCCVEGCSA-N 297.362 1.978 70 50 CDIA CCn1nc(C)cc1C(=O)NCCC[C@H]1CCOC1 218740519 ZKIMKDLQHCCDLP-LBPRGKRZSA-N 265.357 1.758 70 50 CDIA CC(C)(C)OC(=O)N1CC[C@@H](CS(=O)(=O)F)C1 390822146 LIZAPFOWXFGEMS-MRVPVSSYSA-N 267.322 1.543 70 50 CDIA C[C@H](NC(=O)C1(c2ccccc2F)CC1)c1n[nH]c(=O)[nH]1 216914546 PJYHDXAHEKLWJD-QMMMGPOBSA-N 290.298 1.146 70 50 CDIA CC[C@H](O)c1cc2n(n1)CCN(Cc1nccs1)C2 217016836 LTHQGPYZNJQEKO-LBPRGKRZSA-N 278.381 1.799 70 50 CDIA CC(C)(C)OC(=O)[C@H]1C[C@H](S(=O)(=O)Cl)C1 521398905 JVAXNGYRNQIFQE-LJGSYFOKSA-N 254.735 1.675 70 50 CDIA Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2O)sc1C 218368181 UBMJBCWTDZUDIP-NXEZZACHSA-N 255.339 1.245 70 50 CDIA COCCOc1ccc(S(=O)(=O)Cl)cc1C 59108596 CYUYJLMTRQASDR-UHFFFAOYSA-N 264.730 1.948 70 50 CDIA Cc1scnc1CN1CCCn2nc(CO)cc2C1 217785150 BBCAHCJZVMXZPP-UHFFFAOYSA-N 278.381 1.546 70 50 CDIA Cc1nnsc1CNC(=O)[C@H](O)c1ccccc1Cl 218032901 RQPPQEUTAUUQML-LLVKDONJSA-N 297.767 1.850 70 50 CDIA CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Cl)C(=O)C2 59699270 BGABKEVTHIJBIW-XVKPBYJWSA-N 250.747 1.950 70 50 CDIA in-vitro Cc1nc(N)ncc1C(=O)N(C)CCc1ccncc1 217079850 DXRDZZGDIZZKJG-UHFFFAOYSA-N 271.324 1.077 70 50 CDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)Cc1cccs1 218340082 WFNNJUISDDUSOB-UNJBNNCHSA-N 281.377 1.457 70 50 CDIA CC(C)N1CC[C@H](CNC(=O)CCc2cccnc2)C1 218744047 ZSTRFWGNIXCNPC-OAHLLOKOSA-N 275.396 1.861 70 50 CDIA CC(C)N1CCC[C@H](CNC(=O)N2CCC[C@@H](CO)C2)C1 216916865 KSRWUNFBCHPBGZ-HUUCEWRRSA-N 297.443 1.521 70 50 CDIA O=S(=O)(Cl)c1c(Cl)nc2ccccn12 100570420 SKFNUROCOVAKFR-UHFFFAOYSA-N 251.094 1.915 70 50 CDIA in-vitro CC(C)S(=O)(=O)Nc1cccc(OS(=O)(=O)F)c1 1875374495 SYZHVYXCWQFELP-UHFFFAOYSA-N 297.329 1.430 70 50 CDIA Cn1nccc1CCNC(=O)[C@@H]1C[C@H]1c1ccccc1 217830619 AULYOHZMZIGCDV-LSDHHAIUSA-N 269.348 1.883 70 50 CDIA COCCOc1ccc([B-](F)(F)F)cc1[N+](=O)[O-] 170018739 UVOKXLQACICEKG-UHFFFAOYSA-N 263.988 1.674 70 50 CDIA CO[C@@H]1COCC[C@H]1NC(=O)c1ccc(Cl)s1 218350607 AMHDZFZERZEYHC-HTQZYQBOSA-N 275.757 1.935 70 50 CDIA COC(=O)c1c(C)oc(C)c1S(=O)(=O)Cl 95707781 WVFXKTRRLNPSML-UHFFFAOYSA-N 252.675 1.611 70 50 CDIA O=C(c1cncc(O)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 160482297 LSGSBYBETNSQDR-WFASDCNBSA-N 276.336 1.554 70 50 CDIA Cc1c(S(=O)(=O)Cl)ccc2c1NC(=O)C2=O 958528886 XTFZOJZOGLRHGL-UHFFFAOYSA-N 259.670 1.057 70 50 CDIA O=C(N[C@H](Cc1ccncc1)[C@H]1C[C@H](O)C1)c1cc[nH]c1 218029512 HJCHDKLXEIQHBT-QLFBSQMISA-N 285.347 1.522 70 50 CDIA Cc1nc(N)sc1C(=O)NC[C@H]1CCCCCN1 218080375 PZSBOTSQHAQVEJ-SECBINFHSA-N 268.386 1.296 70 50 CDIA O=S(=O)(F)C[C@@H]1CCOC2(CCOCC2)C1 1775997105 VVJYTJLYBNJFMW-SECBINFHSA-N 252.307 1.262 70 50 CDIA C[C@H](c1ccncn1)N(C)C(=O)c1ccc2[nH]nnc2c1 217608957 LKVJLRWPIQGMGN-SECBINFHSA-N 282.307 1.581 70 50 CDIA Cc1ncn(CCNC(=O)CCn2nccc2C)c1C 217416115 JQXBIFXJXSSLAX-UHFFFAOYSA-N 275.356 1.211 70 50 CDIA Cc1nonc1CC(=O)NCc1nc2c(s1)CCCC2 217889656 ZNCUSEBZNGINMP-UHFFFAOYSA-N 292.364 1.572 70 50 CDIA CN(CC(C)(CO)CO)c1nc(C(C)(C)C)ns1 160026203 RADKVQXGTMBXMA-UHFFFAOYSA-N 273.402 1.263 70 50 CDIA O=C(N[C@@H]1CCOC[C@H]1O)C1=Cc2ccccc2OC=C1 218040108 RRCFZADTQSVIQF-ZIAGYGMSSA-N 287.315 1.242 70 50 CDIA O=S(=O)(F)c1ccccc1S(=O)(=O)N1CCCC1 675066088 WNBDMYPZHDZTNZ-UHFFFAOYSA-N 293.341 1.129 70 50 CDIA O=[N+]([O-])c1cccc2c1CCN(S(=O)(=O)F)C2 1875373815 PJVKKIRKIAZNFF-UHFFFAOYSA-N 260.246 1.167 70 50 CDIA CSCC[C@H](O)C(=O)N1CCC(c2ccncc2)CC1 217178924 RKCSAWNLAYATKQ-AWEZNQCLSA-N 294.420 1.902 70 50 CDIA CC[C@@H](NC(=O)c1ccc(O)c(C)c1)C1CC(O)C1 218757836 IWMOKHMYYCGYDS-WXRRBKDZSA-N 263.337 1.980 70 50 CDIA O=C(O)c1ccc(S(=O)(=O)Cl)c(Cl)c1 100649099 XHFNLMKGUSRXQF-UHFFFAOYSA-N 255.078 1.966 70 50 CDIA CC(C)N1CC[C@H](CNC(=O)C(=O)c2ccco2)C1 217530025 OUYFAUNWNDZOBD-LLVKDONJSA-N 264.325 1.309 70 50 CDIA COc1ccc(CNC(=O)[C@H]2CC(=O)OC2(C)C)cc1 218033441 OBHQRQUDIVRVHD-GFCCVEGCSA-N 277.320 1.653 70 50 CDIA biogenic CC[C@H](C)[C@H](N)C(=O)N(C)CCc1scnc1C 218730930 STBRHXWZMKTZTF-CABZTGNLSA-N 269.414 1.826 70 50 CDIA CN(Cc1cnccn1)C(=O)CCCn1cccn1 218383518 CCPIPGPRKMJXSE-UHFFFAOYSA-N 259.313 1.112 70 50 CDIA CN1CCN(c2cc(Nc3ccccc3)ncn2)CC1 216845846 PXWYROKYCVQDIY-UHFFFAOYSA-N 269.352 1.972 70 50 CDIA CCNc1nc(C)c(C(=O)N(C)Cc2cnccn2)s1 217116535 WRIZEIKBFQFPRI-UHFFFAOYSA-N 291.380 1.946 70 50 CDIA CC(C)Cc1cc(CN2C[C@@H]3CC[C@H](C2)[C@@H]3O)n[nH]1 217979895 HFNIDBVHPDGEFI-JYAVWHMHSA-N 263.385 1.811 70 50 CDIA O=[N+]([O-])c1cc(OS(=O)(=O)F)ccc1Cl 1875376066 XSFRZLFDICMQLX-UHFFFAOYSA-N 255.610 1.841 70 50 CDIA CS(=O)(=O)c1ccc(F)c(S(=O)(=O)Cl)c1 59098582 LHRTXBUXYZKKMD-UHFFFAOYSA-N 272.706 1.157 70 50 CDIA CN1C[C@@]2(CCCN(C(=O)Cc3cccnc3)C2)OC1=O 217036772 LTBVHEXASSDJIC-OAHLLOKOSA-N 289.335 1.067 70 50 CDIA COC(=O)c1ccc(Br)c(S(=O)(=O)F)c1 238850881 DFDFNWWWHOZTFN-UHFFFAOYSA-N 297.101 1.894 70 50 CDIA Cc1ncn(CCNC(=O)Cc2ccc(O)c(F)c2)c1C 217644744 FSPFOSBFSSLBCD-UHFFFAOYSA-N 291.326 1.704 70 50 CDIA O=C(O)c1cc(Br)c(S(=O)(=O)F)s1 238853357 JHSLZHGQWMNZEB-UHFFFAOYSA-N 289.103 1.867 70 50 CDIA O=S(=O)(F)CCN1CCSc2ccccc21 883952981 CWKVOMNPMVKXEM-UHFFFAOYSA-N 261.343 1.898 70 50 CDIA COc1cccc(OC2CN(C(=O)[C@]3(C)CCCO3)C2)c1 218493988 CWDFQVJOJRRBPO-INIZCTEOSA-N 291.347 1.854 70 50 CDIA O=C(O)c1cc(S(=O)(=O)F)c2ccccc2c1O 95736073 CDJFAPNPVPDTDW-UHFFFAOYSA-N 270.237 1.902 70 50 CDIA COc1ccc(C(=O)O)cc1S(=O)(=O)Cl 100033466 OWBBPHXIAFVUMO-UHFFFAOYSA-N 250.659 1.321 70 50 CDIA in-vitro Cc1n[nH]c(C)c1CCNC(=O)[C@@H](O)Cc1ccccc1 217198291 HQOJTSYSRZRTIZ-HNNXBMFYSA-N 287.363 1.289 70 50 CDIA CCc1c(C)nn(CCNC(=O)[C@H]2CCCO2)c1C 218259888 NWQYSDCBXTXSSC-CYBMUJFWSA-N 265.357 1.358 70 50 CDIA CN(C(=O)[C@H](O)c1ccc(F)cc1)C1CCOCC1 217157481 JNTOOBINRMMPCC-CYBMUJFWSA-N 267.300 1.497 70 50 CDIA C[C@H](Cc1cccnc1)NC(=O)CN1CCCCCC1=O 217165536 JOKGOVMYGXEUPD-CYBMUJFWSA-N 289.379 1.531 70 50 CDIA C[C@]1(c2ccccc2)CN(C(=O)[C@@H]2CSCN2)CCO1 159644609 YYJDMSCADYGIIB-DZGCQCFKSA-N 292.404 1.423 70 50 CDIA COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1S(=O)(=O)F 1875368274 FKOZCZNEVZPWBY-WDEREUQCSA-N 293.360 1.645 70 50 CDIA O=S(=O)(F)c1ccc(S(=O)(=O)Cl)c(F)c1 958528811 ALITTXKHAOIIPT-UHFFFAOYSA-N 276.669 1.411 70 50 CDIA O=S(=O)(Cl)c1ccc(Br)cn1 100017441 CZPJXSLJOVFCOH-UHFFFAOYSA-N 256.508 1.772 70 50 CDIA in-vitro C[C@@H](c1ccncn1)N(C)C(=O)C(=O)Nc1ccccc1 218620635 HMQVCNCZTRDCCI-NSHDSACASA-N 284.319 1.635 70 50 CDIA Cc1c[nH]c(C(=O)N2CCN(c3cccnc3)CC2)n1 218535241 XYTMVHDJOAWRLK-UHFFFAOYSA-N 271.324 1.076 70 50 CDIA O=C(c1cccn1C1CC1)N1CCn2nc(CO)cc2C1 217506432 BGJFRQNFJYWKKJ-UHFFFAOYSA-N 286.335 1.168 70 50 CDIA O=C(NCCc1noc(-c2ccccc2)n1)[C@H]1CCCO1 217454405 GPOAKUVNSZLYPU-GFCCVEGCSA-N 287.319 1.574 70 50 CDIA Cn1cc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)cn1 218255929 MEAKSHCQAHAEKG-VIFPVBQESA-N 272.260 1.590 70 50 CDIA CO[C@@H]1CCN(C(=O)CSc2ccccn2)C1 218035364 GFXKDJHNNLVFTO-SNVBAGLBSA-N 252.339 1.421 70 50 CDIA O=S(=O)(F)Oc1ccc(CN2CC(F)(F)C2)cc1 1875388114 NIIADJUYMLZWRZ-UHFFFAOYSA-N 281.255 1.731 70 50 CDIA Cc1cccc([C@@H]2CCCN(C(=O)CNC(N)=O)C2)c1 216973442 BMDGWJGQWNAHAI-CYBMUJFWSA-N 275.352 1.369 70 50 CDIA O=C(NC[C@@H]1CCCO1)c1ccc([B-](F)(F)F)cc1 169746054 BMPRYXAJXNLVKX-NSHDSACASA-N 272.055 1.650 70 50 CDIA O=S(=O)(Cl)c1cccnc1Br 100003422 XJPBDTIFSUZVAK-UHFFFAOYSA-N 256.508 1.772 70 50 CDIA in-vitro CCN(C)[C@H](C(=O)N1CC[C@@H](N)C1)c1ccccc1 160289684 KVZDMONUKKDIEH-KGLIPLIRSA-N 261.369 1.239 70 50 CDIA N=c1[nH]c(-c2ccc(OS(=O)(=O)F)cc2)cs1 1875374205 FOZJZSOSAUEFIV-UHFFFAOYSA-N 274.298 1.816 70 50 CDIA O=C(c1ccc([B-](F)(F)F)cc1)N1CCOCC1 169746049 UCJILVOIGRXVQB-UHFFFAOYSA-N 258.028 1.213 70 50 CDIA in-vitro O=C(c1ccccc1)N1CCC[C@H](CS(=O)(=O)F)C1 521397009 GXSJJNSQYRGIAZ-NSHDSACASA-N 285.340 1.838 70 50 CDIA O=C(CCCn1cccn1)N[C@H](CO)Cc1ccccc1 218322697 UVIGVBREIMPWDP-HNNXBMFYSA-N 287.363 1.383 70 50 CDIA C[C@H](Sc1ccccn1)C(=O)NCc1cnn(C)c1 217077258 CEAKOKOCVQREMA-JTQLQIEISA-N 276.365 1.612 70 50 CDIA Nc1nc(NCCc2cscn2)cc([C@H]2C[C@H](N)C2)n1 218575384 XLMHKTWDHRHVEN-DTORHVGOSA-N 290.396 1.375 70 50 CDIA Cc1n[nH]c(C)c1[C@@H](C)NC(=O)c1ccc(CO)o1 217158901 VDALBLQZNRGAIZ-SSDOTTSWSA-N 263.297 1.603 70 50 CDIA COC(=O)CN(C[B-](F)(F)F)C(=O)OC(C)(C)C 299803866 IJFKCGLMZJIIKE-UHFFFAOYSA-N 270.036 1.783 70 50 CDIA CC(C)N(C)C(=O)c1cncc(OS(=O)(=O)F)c1 1875385261 PMNVCEPOTLEYPV-UHFFFAOYSA-N 276.289 1.155 70 50 CDIA Cc1cccc(CCNC(=O)c2cc(Cl)c[nH]c2=O)n1 217894596 RDANPEUSXFBLRX-UHFFFAOYSA-N 291.738 1.704 70 50 CDIA Cc1ncsc1CCNC(=O)[C@H](N)c1c(C)n[nH]c1C 217051593 WTBRTBRRFCPKOO-GFCCVEGCSA-N 293.396 1.150 70 50 CDIA O=C(OS(=O)(=O)C(F)(F)F)c1ccccc1 100015457 GEZVJNXOBFDIPM-UHFFFAOYSA-N 254.185 1.693 70 50 CDIA in-vitro N[C@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)OCC(=O)N3)C1 216988595 KLFNPQZNNOUWRX-BDAKNGLRSA-N 275.308 1.083 70 50 CDIA NC[C@H]1CCCN1C(=O)c1cccc(-n2ccnc2)c1 160360700 ATPVFNAJPKEPPJ-CQSZACIVSA-N 270.336 1.436 70 50 CDIA CCc1nc(CN2CCN(C)C[C@@H]2c2ccccc2)n[nH]1 159586094 VLCGQTNDNJYKNU-CQSZACIVSA-N 285.395 1.856 70 50 CDIA Cc1nn(C)c(C)c1CN(C)[C@@H]1CCCC[C@@H]1O 217651855 GYEPMTLHRROTEM-KGLIPLIRSA-N 251.374 1.772 70 50 CDIA CSCC(=O)N[C@@H]1CCOC[C@H]1OCC1CCC1 218635411 YGAAHKHVGPDWSF-VXGBXAGGSA-N 273.398 1.440 70 50 CDIA Cc1ccccc1[C@H]1CN(C(=O)[C@@H]2CSCN2)CCO1 160839640 JZWRPWFBOBTGBW-UONOGXRCSA-N 292.404 1.557 70 50 CDIA CC(C)(C)OC(=O)N1CC[C@H](CS(=O)(=O)F)C1 390822147 LIZAPFOWXFGEMS-QMMMGPOBSA-N 267.322 1.543 70 50 CDIA O=c1ccccn1-c1cccc(OS(=O)(=O)F)c1 1875374545 VXKBCRVTPLXVKO-UHFFFAOYSA-N 269.253 1.431 70 50 CDIA COc1ccc(S(=O)(=O)Cl)cc1NC(C)=O 59681407 KRKMAUKQDRAOFI-UHFFFAOYSA-N 263.702 1.581 70 50 CDIA in-vitro COc1ccc(S(=O)(=O)Cl)cc1C(=O)O 51951743 OUBZCDOQEMLMAB-UHFFFAOYSA-N 250.659 1.321 70 50 CDIA O=C(Cc1ccc(S(=O)(=O)F)cc1)NC1CCCC1 685944013 VQXDCCXWZUIHPM-UHFFFAOYSA-N 285.340 1.946 70 50 CDIA Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2ccc(O)cc2)o1 217674007 SASMLWXPYIYURN-LLVKDONJSA-N 289.287 1.367 70 50 CDIA biogenic Cc1cc(C[C@H](C)NC(=O)Cn2cnc3ccccc32)[nH]n1 218664561 NILYTJRHPIAZRS-NSHDSACASA-N 297.362 1.815 70 50 CDIA CCOC(=O)CCNC(=O)Nc1ccc(OC)c(OC)c1 217267569 WHQUVQZRXOLLEF-UHFFFAOYSA-N 296.323 1.779 70 50 CDIA O=[N+]([O-])c1cccc(OS(=O)(=O)C(F)(F)F)c1 101364325 XQZILBMIMCHLEG-UHFFFAOYSA-N 271.172 1.823 70 50 CDIA O=S(=O)(Cl)c1ccccc1S(=O)(=O)Cl 95682075 YBGQXNZTVFEKEN-UHFFFAOYSA-N 275.134 1.542 70 50 CDIA in-vitro O=S(=O)(F)N1CCc2nc(C(F)(F)F)ncc2C1 1875375085 QHBZIXLNPNWZQU-UHFFFAOYSA-N 285.222 1.068 70 50 CDIA Cc1csc(CCCNC(=O)CN2CCCC2)n1 218239229 OPGUHYKPCGRZSB-UHFFFAOYSA-N 267.398 1.596 70 50 CDIA CN(C)c1ncccc1C(=O)N[C@@H]1C[C@@H]2OCC[C@@H]21 217028210 HQZXFVYFQIBTHE-JLLWLGSASA-N 261.325 1.055 70 50 CDIA Cc1cnccc1CN(C)C(=O)[C@@H](C)Cn1cncn1 218224808 DDCIHHAOWGPVSO-LBPRGKRZSA-N 273.340 1.276 70 50 CDIA CC(C)CN(Cc1cnn(C)c1)C(=O)c1cc(N)[nH]n1 218396591 WZOJYQFIEOMTNS-UHFFFAOYSA-N 276.344 1.024 70 50 CDIA CCc1csc(CNC(=O)[C@H](O)CCSC)n1 218778515 DJKDTKKUIUIONP-SECBINFHSA-N 274.411 1.436 70 50 CDIA C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1)c1ccc2c(c1)CCCC2 217843890 HYMTVKIFCYHIPP-XZJROXQQSA-N 288.391 1.465 70 50 CDIA COCc1cc(CNC(=O)c2ccc3nc(C)cn3c2)n[nH]1 218008725 MFPLGLNZUBRZOI-UHFFFAOYSA-N 299.334 1.442 70 50 CDIA CCOC(C)(C)C(=O)N(C)[C@H](C)Cc1cnccn1 218130976 RAFMOEFLLIKRDJ-LLVKDONJSA-N 265.357 1.681 70 50 CDIA COc1cccc(SCC(=O)N(C)[C@H]2COC[C@@H]2O)c1 218748145 SFALSXKQUFFXGQ-STQMWFEESA-N 297.376 1.005 70 50 CDIA COc1cc2c(cc1OC)[C@@H](C)N(S(=O)(=O)F)CC2 1875375264 WSTYFWDEJFUHPB-MRVPVSSYSA-N 289.328 1.837 70 50 CDIA CS(=O)(=O)c1cccc(S(=O)(=O)Cl)c1 95696967 CQEFJGDLGWJIRV-UHFFFAOYSA-N 254.716 1.018 70 50 CDIA in-vitro O=C1COc2cc(S(=O)(=O)Cl)c(Cl)cc2N1 100564384 YIYLLOZTGTXGTM-UHFFFAOYSA-N 282.104 1.598 70 50 CDIA CCOC(=O)C[C@@H](C)NC(=O)Cc1ccc(OC)cc1 160835530 BBGKKOSNORPPEP-LLVKDONJSA-N 279.336 1.696 70 50 CDIA O=C(c1cncc(-c2ccccc2)c1)N1CCNCC1 159395407 GZMYFEGSESVFEK-UHFFFAOYSA-N 267.332 1.794 70 50 CDIA O=C1CCN(Cc2cccc3cccnc23)C(=O)N1 159617799 RGGPFWPICKWARA-UHFFFAOYSA-N 255.277 1.677 70 50 CDIA O=C(O)c1ccc(Cl)c(S(=O)(=O)Cl)c1 72399585 LYBQQYNSZYSUMT-UHFFFAOYSA-N 255.078 1.966 70 50 CDIA in-vitro O=C(NCCc1noc(C2CCC2)n1)[C@@H]1CCCO1 217624436 UCVCURKCNRERNU-JTQLQIEISA-N 265.313 1.175 70 50 CDIA COC(=O)CCNC(=O)c1cnc2c(F)cccc2c1O 218511425 SWXWKYHJVWCQMI-UHFFFAOYSA-N 292.266 1.372 70 50 CDIA Fc1ccccc1N1CCN(C[C@@H]2[C@H]3CNC[C@H]32)CC1 217003909 GYUCFPDYEHOIKS-WDNDVIMCSA-N 275.371 1.413 70 50 CDIA OCCN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 161133872 ALJYYNZKMXDANZ-VXGBXAGGSA-N 275.270 1.805 70 50 CDIA N[C@@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)C1 160242483 YCVIBOAIXVBCHP-SNVBAGLBSA-N 272.270 1.808 70 50 CDIA CSCC[C@@H](CO)NC(=O)Cc1ccc2c(c1)CCO2 217731577 LEDFDRNPCCNAQU-ZDUSSCGKSA-N 295.404 1.394 70 50 CDIA biogenic C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)[C@@H](C)N 159836462 XPRIDRFWKZHZEQ-CWSCBRNRSA-N 282.771 1.976 70 50 CDIA Cn1ccc2ccc(C(=O)N[C@@H]3CCOC[C@H]3O)cc21 218665813 LKANUGMRGKMQPP-TZMCWYRMSA-N 274.320 1.058 70 50 CDIA COC(=O)[C@@H](C)NC(=O)c1sc(-n2cccc2)nc1C 218391588 KTEMLTFYEQYBSD-SECBINFHSA-N 293.348 1.534 70 50 CDIA C[C@H](N)C(=O)N1[C@@H](C)[C@@H](c2ccccc2)OC[C@H]1C 159547460 COFJXYQBTCAEFS-UHXUPSOCSA-N 262.353 1.711 70 50 CDIA COCC(=O)N[C@@H](c1ccncc1)c1ccc(OC)cc1 218480957 CBJFMHPOMBHHNY-MRXNPFEDSA-N 286.331 1.942 70 50 CDIA CN(Cc1ncc[nH]1)C(=O)[C@H](O)c1cccc(Cl)c1 217003578 YBXRKTACKFORML-GFCCVEGCSA-N 279.727 1.755 70 50 CDIA CC[C@H](C)C(=O)N[C@H]1CCN(c2ccccc2OC)C1=O 161291555 YSYZYKSXUCVFNA-RYUDHWBXSA-N 290.363 1.963 70 50 CDIA CCC(=O)N1CC[C@H](C(=O)Nc2cc(Cl)ccn2)C1 161451063 CSGHEMXZEKFNMB-VIFPVBQESA-N 281.743 1.932 70 50 CDIA CC(=O)NCCCC(=O)NCc1ccc2ccccc2n1 217053131 HNUMHEWHBGKYLP-UHFFFAOYSA-N 285.347 1.767 70 50 CDIA CCc1nnc(CN2C(=O)C[C@@](C)(C(C)C)C2=O)o1 160883252 XUQVIVRIFKDXPG-ZDUSSCGKSA-N 265.313 1.553 70 50 CDIA CNC[C@@H]1CCCN1C(=O)COc1c(C)cccc1C 161370589 AACNUHIKVSSZOC-AWEZNQCLSA-N 276.380 1.893 70 50 CDIA O=C(NCCc1ccccc1)N[C@@H]1C[C@@H]2OCC[C@@H]21 217361564 DZYXQQAYRVVBDC-MCIONIFRSA-N 260.337 1.706 70 50 CDIA Cc1ccc2c(c1)N(C(=O)C(=O)NCCn1cccc1)CC2 160136305 FFFXOKHOHNKVEF-UHFFFAOYSA-N 297.358 1.502 70 50 CDIA Cc1ccsc1CN(CCO)C(=O)[C@@H]1CC[C@H](N)C1 216896511 VSPNMENZPRCOHE-NEPJUHHUSA-N 282.409 1.505 70 50 CDIA O=C(CC1CCC1)Nc1cncc(OS(=O)(=O)F)c1 1875387364 DROFFKDCQLYBPR-UHFFFAOYSA-N 288.300 1.803 70 50 CDIA CC(C)(C)c1nsc(NCC2(C(N)=O)CCOCC2)n1 159435258 LEZUDWNWEASQTR-UHFFFAOYSA-N 298.412 1.530 70 50 CDIA O=S(=O)(F)c1c[nH]c2nc(Br)ccc12 1857787143 JIYFIIPRSYELMT-UHFFFAOYSA-N 279.090 1.984 70 50 CDIA COC(=O)[C@@H](C)N(C)Cc1ccc(OC)c(C)c1 160503290 JMCRRMVTAIUPGR-LLVKDONJSA-N 251.326 1.997 70 50 CDIA CCn1nc(C)c(CNC(=O)c2cc(=O)cc(C)o2)c1C 217848245 ZWVWTUNSDFGGHP-UHFFFAOYSA-N 289.335 1.711 70 50 CDIA CCn1cc(C(=O)N2CC[C@@H](N)C2)c(C(C)C)n1 160322904 BLQRSRPVYOAHOR-SNVBAGLBSA-N 250.346 1.200 70 50 CDIA CN(C)[C@@H]1[C@H]2CC[C@@H]1CN(C(=O)c1nc3ccccc3[nH]1)C2 217547790 GUXCPTTZEYKUNT-JYAVWHMHSA-N 298.390 1.975 70 50 CDIA Cc1noc(C)c1C(=O)NCc1cnc2cnccn12 217924649 GCAHGQVLKFYUTK-UHFFFAOYSA-N 271.280 1.264 70 50 CDIA Cc1ccc2c(c1)C[C@@H](C(=O)NCCc1cn[nH]c1)N2 217885578 RCZJAWZWTSSBCW-AWEZNQCLSA-N 270.336 1.414 70 50 CDIA CSCc1ccc(C(=O)NC[C@H]2CCOC2)o1 218362828 ZYIIXVQGWYTICX-SECBINFHSA-N 255.339 1.909 70 50 CDIA Cc1cc(CC(=O)NC[C@@H]2OCCc3ccccc32)on1 217457145 MXYLMQMHCBEFFW-HNNXBMFYSA-N 286.331 1.956 70 50 CDIA CCOC(=O)[C@@H]1[C@@H]2CC[C@@H](S(=O)(=O)F)C[C@H]21 675050606 BVFBVEYAMDVOSS-FNCVBFRFSA-N 250.291 1.264 70 50 CDIA NC(=O)CN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 161137320 KLHPPJXIDWLTSI-QWRGUYRKSA-N 288.269 1.298 70 50 CDIA COc1ccc(CCN(C)C[C@@H]2[C@H]3CNC[C@H]32)cc1OC 217616515 FXYWYJSUTRIURW-FICVDOATSA-N 290.407 1.644 70 50 CDIA CC[C@@H](C)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1=O 161291211 YSYZYKSXUCVFNA-VXGBXAGGSA-N 290.363 1.963 70 50 CDIA O=S(=O)(Cl)c1ccc(S(=O)(=O)NC2CC2)cc1 100567429 IKRLTAZGFZYUGS-UHFFFAOYSA-N 295.769 1.055 70 50 CDIA in-vitro OCc1cc2n(n1)CCCN(C1CSCCSC1)C2 218513131 CXBFROYKRZMNFE-UHFFFAOYSA-N 299.465 1.430 70 50 CDIA Cc1cc(NS(=O)(=O)C[C@H]2CCCCO2)nn1C 161504544 LZSLCSUZGQVLLC-SNVBAGLBSA-N 273.358 1.039 70 50 CDIA C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[C@@H]1CN 160200226 YDXIZHFPMGTGCR-CMPLNLGQSA-N 266.316 1.543 70 50 CDIA COc1ccccc1OS(=O)(=O)C(F)(F)F 136621574 RCDZTJFBROIDKD-UHFFFAOYSA-N 256.201 1.924 70 50 CDIA CCOC(=O)c1ccc(F)c(S(=O)(=O)F)c1 238856023 UQFGNKVYNULXHG-UHFFFAOYSA-N 250.222 1.661 70 50 CDIA NS(=O)(=O)N1CCC[C@@H](Oc2ccccc2Cl)C1 161091251 FKHZWXJUCIODRH-SECBINFHSA-N 290.772 1.387 70 50 CDIA O=C1[C@H]2/C=C\C/C=C\C=C/[C@@H]2N1S(=O)(=O)Cl 101137978 IMYGNGUQRJDLQF-YRMHECMBSA-N 259.714 1.369 70 50 CDIA O=C(N[C@@H]1CCCNC1=O)c1ccc(N2CCCC2)cc1 218467090 XKIFRGBFGFRPOU-CQSZACIVSA-N 287.363 1.295 70 50 CDIA CCCO[C@@H]1CCCN(C(=O)c2nc(C)c[nH]2)C1 217419455 HIZWEAQUMIFMRX-LLVKDONJSA-N 251.330 1.749 70 50 CDIA Cc1c(Cl)cccc1OCC(=O)N1CCNCC1 159439230 WXZLPRFFPXSBDH-UHFFFAOYSA-N 268.744 1.459 70 50 CDIA O=C1CCCc2cc(OS(=O)(=O)F)ccc2N1 1875374551 WGRLUHFGFNILDZ-UHFFFAOYSA-N 259.258 1.555 70 50 CDIA Cc1cc(C)nc(CCNC(=O)c2cnoc2C)n1 218315851 BPBVVTQMJUJNKY-UHFFFAOYSA-N 260.297 1.362 70 50 CDIA CC(=O)NCCC1CCN(C(=O)c2nc(C)c[nH]2)CC1 217035006 JKBUITZDVLQNLQ-UHFFFAOYSA-N 278.356 1.097 70 50 CDIA Cc1ccn(-c2ccccc2NC(=O)[C@H]2CNC(=O)C2)n1 161332006 FQYYAGIRQHKRIF-LLVKDONJSA-N 284.319 1.255 70 50 CDIA Cc1nn(C)c(C)c1C(=O)N[C@@H](C)Cc1cccnc1 217132821 QFLKFEQRSOJHAE-JTQLQIEISA-N 272.352 1.793 70 50 CDIA O=C(Cc1ccc(O)c(Cl)c1)NCCc1cnccn1 217962642 DWKUUVPJMZIKJV-UHFFFAOYSA-N 291.738 1.737 70 50 CDIA Cc1ccc2c(c1)c(CNC(=O)c1cnc[nH]1)nn2C 218681420 KBXWZCAXIXBXSW-UHFFFAOYSA-N 269.308 1.535 70 50 CDIA CNC[C@@H]1CCCN1C(=O)CCc1c(C)nn(C)c1C 161273078 MSHDQKHTBJVUJA-ZDUSSCGKSA-N 278.400 1.180 70 50 CDIA CC(C)[C@@H](N)C(=O)NCc1cc(-c2ccccc2)n[nH]1 218001803 DTTJQYBFRPWWSK-CQSZACIVSA-N 272.352 1.676 70 50 CDIA CC[C@@H](C)[C@@H](CO)NC(=O)Cc1ccc2c(c1)CCO2 217796819 BPLJIBDENZHXKI-BXUZGUMPSA-N 277.364 1.687 70 50 CDIA biogenic COCc1cc(CNC(=O)Cc2c[nH]c3ccccc23)n[nH]1 218154995 MLYUFYGUFCERQV-UHFFFAOYSA-N 298.346 1.896 70 50 CDIA Cc1ccccc1[C@@H]1CN(C(=O)[C@H]2CSCN2)CCO1 160839761 JZWRPWFBOBTGBW-KGLIPLIRSA-N 292.404 1.557 70 50 CDIA CCCn1ncnc1[C@H](C)NC(=O)c1ncccc1O 218721274 OLQJYIMDPKIYSJ-VIFPVBQESA-N 275.312 1.280 70 50 CDIA CC(=O)NCCNc1cc(C2CC(N)C2)nc(C2CC2)n1 218557243 HSSJJAFZHIALOS-UHFFFAOYSA-N 289.383 1.107 70 50 CDIA CC(=O)N1CC(Nc2ccc(Cl)nc2)=CC1=O 218616319 GPCMELWKCHZLOH-UHFFFAOYSA-N 251.673 1.420 70 50 CDIA COc1ccc(Cl)cc1CN(C)S(=O)(=O)F 1875374772 DRRPJZZDCUDMNU-UHFFFAOYSA-N 267.709 1.995 70 50 CDIA O=C(Cc1ccc(O)c(F)c1)NCCc1ccncc1 217831502 YBXDPNLJUPWSBM-UHFFFAOYSA-N 274.295 1.828 70 50 CDIA Cc1ncsc1C(=O)N1CCCn2nc(CO)cc2C1 217649669 UZSPOGNCFNALJV-UHFFFAOYSA-N 292.364 1.186 70 50 CDIA Cc1cnn([C@@H](C)C(=O)N(C)Cc2nnc(C)o2)c1 218394916 YKTIROFKCCFCPC-VIFPVBQESA-N 263.301 1.103 70 50 CDIA O=C(CCCc1ccc(Cl)cc1)N[C@@H]1CCOC[C@H]1O 218551941 GFMAVJWLTCFKEW-ZIAGYGMSSA-N 297.782 1.929 70 50 CDIA CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(CC(C)C)n[nH]1 218169440 CQCUJTNAQLSDBL-ZWNOBZJWSA-N 267.373 1.745 70 50 CDIA CCOC(=O)C[C@@H](C)NC(=O)CC1CCOCC1 160109157 WOQPPSJJUSILJP-SNVBAGLBSA-N 257.330 1.261 70 50 CDIA Cn1ncnc1CCNC(=O)C1C(C)(C)C1(C)C 218537282 SHXZDULVZMOZNZ-UHFFFAOYSA-N 250.346 1.156 70 50 CDIA COC(=O)[C@@H](C)NCc1cncc(Br)c1 160568113 NVDNZSSOZGPHLE-SSDOTTSWSA-N 273.130 1.495 70 50 CDIA CC(C)(C)OC(=O)N1CCN(C[B-](F)(F)F)CC1 169747089 ZMODHXXZBLTZED-UHFFFAOYSA-N 267.080 1.926 70 50 CDIA CNC[C@@H]1CCCN1C(=O)c1cccc(-n2ccnc2)c1 161354491 XURRHQXDWRFESK-HNNXBMFYSA-N 284.363 1.696 70 50 CDIA Cc1oncc1C(=O)NCCc1nc(-c2ccccn2)no1 218392827 FEMSRFVLYSPOGG-UHFFFAOYSA-N 299.290 1.401 70 50 CDIA C[C@H](C(=O)NCCn1cccn1)c1ccc(O)cc1 217581643 BNQMNGMJFPYSDS-NSHDSACASA-N 259.309 1.509 70 50 CDIA Cc1nn(C)c(C)c1C(=O)N[C@H](C)Cc1cccnc1 217132835 QFLKFEQRSOJHAE-SNVBAGLBSA-N 272.352 1.793 70 50 CDIA COC(=O)C1(c2ccc(S(=O)(=O)F)cc2)CC1 675065630 LOSORHSGOMLPPM-UHFFFAOYSA-N 258.270 1.549 70 50 CDIA CC1=CC[C@H]2CN(C(=O)c3nc4ncccn4n3)C[C@H]2C1 216713045 OCIDRIDUQCWYMH-NWDGAFQWSA-N 283.335 1.553 70 50 CDIA C[C@H](Sc1nncn1C)C(=O)NCC1(C2CC2)CC1 159662929 VYSJNSVWEAYWNH-VIFPVBQESA-N 280.397 1.602 70 50 CDIA C[C@@H](C(=O)N(C)Cc1ncc[nH]1)c1ccc(O)cc1 217687832 LTANMSRDMKCZLG-SNVBAGLBSA-N 259.309 1.877 70 50 CDIA O=S(=O)(Oc1cc(C(F)(F)F)no1)C(F)(F)F 1535542570 DKSRDKVGYAIBEI-UHFFFAOYSA-N 285.121 1.922 70 50 CDIA CC1(C)OB(c2cccc(S(=O)(=O)F)c2)OC1(C)C 536949714 NPHGTCXXRUOLBT-UHFFFAOYSA-N 286.133 1.644 70 50 CDIA C[C@H](c1ccon1)N(C)C(=O)CSc1nnc(N)s1 217938461 MJONPBNOJBXQFV-ZCFIWIBFSA-N 299.381 1.420 70 50 CDIA Cc1nnc(CNC(=O)c2n[nH]c(N)c2-c2ccccc2)o1 217099592 RTPGAFRPLUTJLQ-UHFFFAOYSA-N 298.306 1.280 70 50 CDIA CN(C)CCNC(=O)c1cnc2c(F)cccc2c1O 218138362 HCULONQWNYLUJC-UHFFFAOYSA-N 277.299 1.371 70 50 CDIA O=C(O)c1cc(S(=O)(=O)Cl)cc2c1OCC2 669383819 YOMAQTKTBZXHKU-UHFFFAOYSA-N 262.670 1.247 70 50 CDIA COc1ccc(C(=O)NCC[C@H]2CCOC2)cc1F 218142730 PCMDAAVFSMMRGO-JTQLQIEISA-N 267.300 1.991 70 50 CDIA CC[C@@H](NC(=O)c1cnoc1C)c1cn2cccnc2n1 217057329 BVHUEQRMOHAXNB-LLVKDONJSA-N 285.307 1.907 70 50 CDIA CN(CCOc1cccc(Cl)c1)S(=O)(=O)F 1875365417 WZRKSRKZDLPVCX-UHFFFAOYSA-N 267.709 1.865 70 50 CDIA CO[C@H](C)c1noc(Cn2cnc(C(C)C)cc2=O)n1 160854363 VSYLPJLMIPXAJP-SECBINFHSA-N 278.312 1.505 70 50 CDIA Cc1cc(C(=O)N[C@@H](C)Cc2cccnc2)cc(=O)[nH]1 217955917 XDIJBFMAKPNCBS-JTQLQIEISA-N 271.320 1.439 70 50 CDIA COc1ccc2nc(CCNC(=O)c3ccnnc3)[nH]c2c1 217203862 KERKKUMHWQFCDB-UHFFFAOYSA-N 297.318 1.334 70 50 CDIA CC(=O)N[C@@H]1Cc2ccc(S(=O)(=O)Cl)cc2C1 60071402 XNVZUBLWWSTORI-SNVBAGLBSA-N 273.741 1.217 70 50 CDIA O=C(CO)N[C@H]1CC2(CCCC2)Oc2ccccc21 217202541 FLZQBNLBSMDTKE-LBPRGKRZSA-N 261.321 1.932 70 50 CDIA COc1ccc(CC(=O)N(C)Cc2cc[nH]n2)c(OC)c1 216909747 MRMYSKZKCGNVKC-UHFFFAOYSA-N 289.335 1.628 70 50 CDIA CC(C)[C@H]1OCC[C@@H]1CN[C@@H](C)CC(=O)N1CCOCC1 160898937 AVEROIWICMUOOI-SQWLQELKSA-N 298.427 1.275 70 50 CDIA COCc1nc2n(n1)C[C@H](Nc1nc3ccccc3o1)CC2 161352529 WWHFUZXJEPUYID-SNVBAGLBSA-N 299.334 1.993 70 50 CDIA CC(C)(C)N[SiH]1N(C(C)(C)C)[SiH2]N1C(C)(C)C 170172916 FSPDMYLRXNXGAH-UHFFFAOYSA-N 273.573 1.305 70 50 CDIA Cc1cnc(CNC(=O)CN2CCCC2)c(C)c1O 218652627 ATGFECXSGSCZGV-UHFFFAOYSA-N 263.341 1.116 70 50 CDIA Cc1ccc(O)c(CN2CCCn3nc(CO)cc3C2)n1 216979658 FYCMGKGSVRNQAG-UHFFFAOYSA-N 288.351 1.190 70 50 CDIA CC[C@H](NC(=O)c1ccc(C)c(O)c1)C1CC(O)C1 218652291 NTWHPGNFQXYVSG-BPCQOVAHSA-N 263.337 1.980 70 50 CDIA CC[C@@H](Oc1cccc(C)c1)C(=O)N1CC[C@@H](N)C1 160293588 QNEMBTXPBFNRJI-TZMCWYRMSA-N 262.353 1.712 70 50 CDIA CC(C)N1CCC[C@@H](CNC(=O)N2CCC[C@@H](CO)C2)C1 216916836 KSRWUNFBCHPBGZ-LSDHHAIUSA-N 297.443 1.521 70 50 CDIA Cc1nc(CCNC(=O)[C@H]2CCCO2)nc2c1CCCC2 218296893 UCSLSEATVGOJNT-CQSZACIVSA-N 289.379 1.502 70 50 CDIA CN(C)Cc1c(C(=O)N2CC[C@@H](N)C2)oc2ccccc12 160275243 LPAPHPJHTSJGKY-LLVKDONJSA-N 287.363 1.668 70 50 CDIA O=C(NCCN1CCCC1=O)c1cnc2ccccc2c1 218663146 KYYTWLZMOWEGAF-UHFFFAOYSA-N 283.331 1.587 70 50 CDIA Cc1cccc([C@@H](C)NC(=O)c2cc(C)nc(N)n2)n1 218236830 WNXTUGLWVVQXNE-SNVBAGLBSA-N 271.324 1.562 70 50 CDIA CCSCC(=O)NCCCn1c(C)cccc1=O 218415282 PXWPHECVMZCAGU-UHFFFAOYSA-N 268.382 1.416 70 50 CDIA C/C=C(\C)CN1CCCn2nc([C@@H](O)CO)cc2C1 216907449 PPWOCPDIYYXMTQ-JIJVXSHRSA-N 265.357 1.081 70 50 CDIA COC(=O)c1ccc(OC)c(S(=O)(=O)Cl)c1 95749469 FKAIQWMEWVOGDP-UHFFFAOYSA-N 264.686 1.409 70 50 CDIA COc1cc(S(=O)(=O)F)c(Cl)cc1C(=O)O 238855683 SQFBPUXJZFNDSI-UHFFFAOYSA-N 268.649 1.705 70 50 CDIA N=c1nc(-c2cccc(OS(=O)(=O)F)c2)[nH]s1 1875374740 ZSIUXCUVFXUXBH-UHFFFAOYSA-N 275.286 1.211 70 50 CDIA Cn1nccc1-c1ccccc1OS(=O)(=O)F 1875374588 XSLHSRRXOQMHDF-UHFFFAOYSA-N 256.258 1.680 70 50 CDIA Cc1n[nH]c(C)c1CCCNC(=O)c1cc(CO)ccn1 218283074 DWVJWXBHWXICPB-UHFFFAOYSA-N 288.351 1.276 70 50 CDIA Cc1cc(C(=O)N[C@H](C)c2c(C)n[nH]c2C)cc(=O)[nH]1 216980251 QMHQOCDPHXRKTQ-MRVPVSSYSA-N 274.324 1.514 70 50 CDIA O[C@H](c1cc2n(n1)CCCN(c1cnccn1)C2)C1CC1 218065972 NJCFKPHQDSRKMH-HNNXBMFYSA-N 285.351 1.527 70 50 CDIA O=C(c1cnc[nH]c1=O)N1CCC(c2ccncc2)CC1 217611217 GOQTXLIMDHDIOU-UHFFFAOYSA-N 284.319 1.185 70 50 CDIA NC[C@H]1CCCN1C(=O)/C=C/c1c(F)cccc1F 160201347 AKTNUSGHKAPJOE-VQCYPWCPSA-N 266.291 1.928 70 50 CDIA CN(CCc1ccncc1)C(=O)c1cccc(=O)[nH]1 217457660 NVFULPXXELWOIM-UHFFFAOYSA-N 257.293 1.085 70 50 CDIA COc1ccc(C(=O)NCC2(C)COC2)c(F)c1F 217972867 IHHKZXQTYSOUQN-UHFFFAOYSA-N 271.263 1.740 70 50 CDIA O=S(=O)(F)Oc1ccc(-c2nncs2)cc1 1875374227 GGAPRJSGKLKAEZ-UHFFFAOYSA-N 260.271 1.798 70 50 CDIA O=C(Cc1ccsc1)N1CCn2nc(CO)cc2C1 217211995 XKTDUYZXNKSIDA-UHFFFAOYSA-N 277.349 1.022 70 50 CDIA Cc1cc(C)nc(CCNC(=O)c2ccc3c(c2)OCO3)n1 218057842 CREPKNOFRXHVTB-UHFFFAOYSA-N 299.330 1.795 70 50 CDIA COc1ccc2[nH]c(C(=O)N[C@@H]3CCOC[C@H]3O)cc2c1 218346504 WCXBCNVRFUTJIU-TZMCWYRMSA-N 290.319 1.056 70 50 CDIA COc1ccccc1OC(C)(C)C(=O)NCc1ncc[nH]1 217414378 WUFVCAQBXQIFJN-UHFFFAOYSA-N 289.335 1.892 70 50 CDIA O=[N+]([O-])c1ccc(OS(=O)(=O)C(F)(F)F)cc1F 100541984 ANXRHNZOWKWYFI-UHFFFAOYSA-N 289.162 1.962 70 50 CDIA Cc1ccn(CCC(=O)N[C@H](C)c2nnc(C)o2)n1 218374835 XUGLKJZDLCNVNK-SECBINFHSA-N 263.301 1.150 70 50 CDIA Cc1nc2ccc(OS(=O)(=O)F)cc2c(=O)o1 1875390016 JPLRBQADNRXSJI-UHFFFAOYSA-N 259.214 1.090 70 50 CDIA O=C(NCCc1noc(-c2ccccc2)n1)[C@@H]1CCCO1 217454321 GPOAKUVNSZLYPU-LBPRGKRZSA-N 287.319 1.574 70 50 CDIA N[C@H]1[C@H]2CCO[C@H]2[C@@H]1NC(=O)c1scc2c1CCCC2 218310484 MHVIPXFLFRDSQA-YVECIDJPSA-N 292.404 1.471 70 50 CDIA COc1ccc(C(=O)N2CCC[C@H](c3nc(C)n[nH]3)C2)o1 217680376 VLAZNFOGIXSWLH-JTQLQIEISA-N 290.323 1.735 70 50 CDIA O=C(NCc1ccc2nonc2c1)[C@H](O)C1CCCCC1 217350955 NWQGZJIRQBKGHE-CQSZACIVSA-N 289.335 1.780 70 50 CDIA CN(CC1(CO)CCCC1)C(=O)CCCn1cncn1 218260111 ZLSLGLNGFPBFEX-UHFFFAOYSA-N 280.372 1.069 70 50 CDIA O=S(=O)(F)c1ccc(Br)nc1F 536952120 ANWOBOXUXLUSQF-UHFFFAOYSA-N 258.043 1.641 70 50 CDIA O[C@@H]1CCN(c2cc(-c3ccccc3)nc3ccnn23)C1 216763862 KGUFMYRMHZXDGR-CYBMUJFWSA-N 280.331 1.967 70 50 CDIA Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NC(C)C 218431172 XFLJXESLWUZHQV-CYBMUJFWSA-N 292.379 1.782 70 50 CDIA O=C(N[C@H](Cc1ccncc1)[C@H]1C[C@@H](O)C1)c1cnco1 218635906 XFOLINPJPBFDNR-JHJVBQTASA-N 287.319 1.182 70 50 CDIA COc1ccnc(CNC(=O)[C@H](CC(C)C)NC(C)=O)c1 217729279 LNLOYKQYHSIMEN-AWEZNQCLSA-N 293.367 1.257 70 50 CDIA O=S(=O)(Cl)c1cnc2ccc(Cl)nn12 115490930 NEOGGLAEQUEMEY-UHFFFAOYSA-N 252.082 1.310 70 50 CDIA CC(C)(C)OC(=O)N1CCC[C@]2(CNC(=O)N2)C1 217820848 PKVYUSBDUFITPM-LBPRGKRZSA-N 255.318 1.069 70 50 CDIA Cc1nonc1CC(=O)N1CCC[C@@H](Cn2ccnc2)C1 217614966 JIJKOTZOJSDXIE-LBPRGKRZSA-N 289.339 1.056 70 50 CDIA COC(=O)C[C@H](c1c(O)c(C(=O)OC)c[nH]c1=O)C(C)C 218037522 UOLFYGFZPBXVDZ-QMMMGPOBSA-N 297.307 1.170 70 50 CDIA biogenic CCCc1ccc(C(=O)N[C@@H]2CCOC[C@H]2O)cc1 218197201 DCCKRVJTYJYGBQ-ZIAGYGMSSA-N 263.337 1.519 70 50 CDIA COC(=O)/C=C/c1cccc(S(=O)(=O)Cl)c1 100074465 IRLXDBWFFKLKOD-AATRIKPKSA-N 260.698 1.800 70 50 CDIA O=C(CCCC(=O)c1ccccc1)N[C@H]1CCOC1 217939156 PGQBZQQMDKKAQJ-ZDUSSCGKSA-N 261.321 1.945 70 50 CDIA O=C(O)c1ccc(S(=O)(=O)F)c(OC(F)(F)F)c1 238853337 JDHZRIKYNANMFY-UHFFFAOYSA-N 288.174 1.942 70 50 CDIA CC(C)c1ccc([C@H](C)NC(=O)[C@H]2C[C@@H](O)CN2)cc1 217830505 CLARUPUMSWGCBT-NILFDRSVSA-N 276.380 1.710 70 50 CDIA N#Cc1ccc(OC(F)F)c(S(=O)(=O)F)c1 1776000083 WPRPDBUZUYICLR-UHFFFAOYSA-N 251.185 1.818 70 50 CDIA N[C@@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccc(F)cc2)C1 160231198 IJLHATVBWCREKW-HUUCEWRRSA-N 291.370 1.350 70 50 CDIA NC(=O)C1(C(=O)NCc2cnc3ccccc3c2)CC1 216923413 FTIPZBGMHSYYAU-UHFFFAOYSA-N 269.304 1.117 70 50 CDIA CCc1noc(CC)c1CC(=O)N1CCC[C@@H]1CN 160183570 NAQRGFWCOSUPAU-SNVBAGLBSA-N 265.357 1.292 70 50 CDIA CC(C)C(=O)Nc1cccc(OS(=O)(=O)F)c1 1875374511 ULNJTHZCYFGCBS-UHFFFAOYSA-N 261.274 1.874 70 50 CDIA COC(=O)COc1ccc(S(=O)(=O)Cl)cc1 100054647 ISHZBFTYSQSGBF-UHFFFAOYSA-N 264.686 1.166 70 50 CDIA O=C(c1ccc(S(=O)(=O)Cl)cc1)N1CCOCC1 100573259 ALPHHUKKEOVCOP-UHFFFAOYSA-N 289.740 1.087 70 50 CDIA Cc1c[nH]c(C(=O)N2CCN(C3CCCCC3)C(=O)C2)n1 217949375 VVYKZEMTORHOEZ-UHFFFAOYSA-N 290.367 1.335 70 50 CDIA O=C(O)c1c(F)ccc(S(=O)(=O)Cl)c1F 100065426 QOVXKOPZKHCCHN-UHFFFAOYSA-N 256.613 1.591 70 50 CDIA in-vitro CC[C@@H](NC(=O)c1ccc(C)c(O)c1)C1CC(O)C1 218652215 NTWHPGNFQXYVSG-WXRRBKDZSA-N 263.337 1.980 70 50 CDIA Cc1cc(CC(=O)NC[C@H]2OCCc3ccccc32)on1 217457223 MXYLMQMHCBEFFW-OAHLLOKOSA-N 286.331 1.956 70 50 CDIA Cc1ccccc1[C@H]1CN(C(=O)[C@H]2CCCNC2)CCO1 160842729 POZJYQDKORJMPN-GOEBONIOSA-N 288.391 1.895 70 50 CDIA Cc1ccc(CCNC(=O)c2c[nH]c(=O)c(Cl)c2)o1 217026773 QSRPFWFZARFGPY-UHFFFAOYSA-N 280.711 1.902 70 50 CDIA CC(C)CNC(=O)Cn1cc(-c2ccccc2)ncc1=O 218370624 ZQICGVYWSWEVNQ-UHFFFAOYSA-N 285.347 1.683 70 50 CDIA N#Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1 140770896 KKETVWGQXANCHL-UHFFFAOYSA-N 251.185 1.787 70 50 CDIA Cc1cc(=O)c(C(=O)N2CCC[C@H](N(C)C)CC2)c[nH]1 217520939 QSZRBYBIRCWXGM-LBPRGKRZSA-N 277.368 1.240 70 50 CDIA CN1CC[C@@H]2CN(C(=O)c3cccc(-c4ncc[nH]4)c3)C[C@@H]21 216938723 VFHWNFYMFUYPJU-CABCVRRESA-N 296.374 1.853 70 50 CDIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1[nH]nc(C)c1Cl 218412030 HJKZNMOGPBSJFZ-PUJIEXKFSA-N 299.758 1.151 70 50 CDIA O=S(=O)(Cl)c1ccc(Br)nc1F 238589062 VADHBJNKHDTBMX-UHFFFAOYSA-N 274.498 1.911 70 50 CDIA COC(=O)c1ccc(OS(=O)(=O)F)cc1OC 1875374527 VGUPDIJPCBEOJF-UHFFFAOYSA-N 264.230 1.075 70 50 CDIA CN(C)CCCNC(=O)c1cnc2ccc(F)cc2c1O 218342019 LPHXPEJCZOEULC-UHFFFAOYSA-N 291.326 1.761 70 50 CDIA CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1CCCNC1 161177892 PUWPONPSXPYXNB-MGPQQGTHSA-N 282.428 1.944 70 50 CDIA Cc1cccc(OS(=O)(=O)C(F)(F)F)c1N 97971782 AJDLUZWNMXCSLE-UHFFFAOYSA-N 255.217 1.806 70 50 CDIA O=C(N[C@@H]1CCSc2ccc(F)cc21)[C@@H]1C[C@@H](O)CN1 217788098 ZBODSPGPEBUNET-JLLWLGSASA-N 296.367 1.202 70 50 CDIA OCc1cc2n(n1)CCCN(Cc1ccncc1Cl)C2 217402725 IIDNVEBXCZMULV-UHFFFAOYSA-N 292.770 1.830 70 50 CDIA O=C(c1cnco1)N1CCN(c2ncccc2Cl)CC1 218654619 KHWGJKZCUUOXGX-UHFFFAOYSA-N 292.726 1.685 70 50 CDIA Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccnc2ccccc12 218411410 OTMCUYYCIUHAFX-GFCCVEGCSA-N 296.330 1.567 70 50 CDIA COC(=O)/C=C/c1ccc(OC)c(OS(=O)(=O)F)c1 1875375693 KNGKYRFCCLDINQ-GQCTYLIASA-N 290.268 1.475 70 50 CDIA CC(C)c1cc(CN(C)C(=O)[C@H]2CCCO2)on1 218094155 BYSIBTDSZPAHGL-GFCCVEGCSA-N 252.314 1.935 70 50 CDIA CC[C@H](C)OCC(=O)NC[C@H]1CCO[C@@H]1C(C)C 161374379 PORKUVGKCWZSDS-OUCADQQQSA-N 257.374 1.979 70 50 CDIA Cc1nc([C@@H](C)NC(=O)c2ccc(F)c(O)c2)n[nH]1 217002330 LHOPCWNXHSBWTF-ZCFIWIBFSA-N 264.260 1.449 70 50 CDIA CC1(CNC(=O)[C@@H]2CCc3ccccc3C2)COC1 217017126 ZDLRIGVQDMTFBP-CQSZACIVSA-N 259.349 1.944 70 50 CDIA N[C@@H]1CCN(C(=O)COc2ccc(C(F)(F)F)cc2)C1 160281666 DXKZBZURVCZNAI-SNVBAGLBSA-N 288.269 1.644 70 50 CDIA N#Cc1c(Br)cccc1S(=O)(=O)F 238854584 OLFKBULFRRNHGJ-UHFFFAOYSA-N 264.075 1.979 70 50 CDIA Cc1nnc(CN(C)C(=O)c2cncc(Cl)c2)o1 218442175 FKFIOJLIVALUAL-UHFFFAOYSA-N 266.688 1.699 70 50 CDIA CC[C@H](N)C(=O)N1CCO[C@H](c2ccccc2C)C1 160841848 PVKPNXUXSPULAV-KBPBESRZSA-N 262.353 1.632 70 50 CDIA Nc1ccc(C(=O)N2CCOc3ccc(CO)cc3C2)cn1 217428539 XSIMBTGLUBTAST-UHFFFAOYSA-N 299.330 1.191 70 50 CDIA CN(CC(=O)NCC[C@H]1CCCCO1)Cc1ccncc1 217046937 QBALKJMGAFHRAV-OAHLLOKOSA-N 291.395 1.589 70 50 CDIA CO[C@@H]1COCC[C@H]1NC(=O)CCOc1ccccc1 218311441 LHPUFHDKVKOWNA-ZIAGYGMSSA-N 279.336 1.376 70 50 CDIA Cc1cnccc1CNC(=O)[C@@H](C)Cn1cccn1 218472489 BKYMNVHAPLKIEV-LBPRGKRZSA-N 258.325 1.539 70 50 CDIA CN(CCC[C@@H]1CCCO1)C(=O)Cn1ccnc1 218620240 GFDFNSSRWVGJDF-GFCCVEGCSA-N 251.330 1.301 70 50 CDIA CC(C)Cc1noc(CN(C)C(=O)[C@@H]2CC[C@H](N)C2)n1 217068986 DPJCGGNNSRFQJU-MNOVXSKESA-N 280.372 1.354 70 50 CDIA Cc1ccnn1CCC(=O)NCCc1nc(C2CC2)no1 217874511 HDOFPXJSVWDXEH-UHFFFAOYSA-N 289.339 1.201 70 50 CDIA O=S(=O)(Cl)c1ccc(Cn2cncn2)cc1 59222019 YQDZJZYTULSUBA-UHFFFAOYSA-N 257.702 1.254 70 50 CDIA in-vitro C[C@@H](NC(=O)c1cccc(F)c1O)c1nncn1C 218245983 SBTMTQYVUWOSFZ-SSDOTTSWSA-N 264.260 1.151 70 50 CDIA CSCCC(=O)NCCc1nc(C2CC2)no1 217942990 HCMTZTRTFMRBME-UHFFFAOYSA-N 255.343 1.359 70 50 CDIA Cc1c[nH]c(CN(C)C(=O)c2ccc3nc(C)cn3c2)n1 218654836 JWXPHXPTJSTTBX-UHFFFAOYSA-N 283.335 1.946 70 50 CDIA C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]12 217413093 DLHQKRZBSZZUDC-ZAZJYDDPSA-N 273.263 1.659 70 50 CDIA CSCC[C@H](O)C(=O)NCc1cn2ccc(C)cc2n1 217738144 PDBGBKSENLGHLK-LBPRGKRZSA-N 293.392 1.373 70 50 CDIA O=C(NCCc1nc(C2CC2)no1)c1ccc2nccn2c1 218685960 UWBWPXDHBLYGPW-UHFFFAOYSA-N 297.318 1.567 70 50 CDIA O=C(NCCc1cn[nH]c1)[C@H](O)c1ccc(Cl)cc1 217188243 YQRYHNBCQRJRAS-GFCCVEGCSA-N 279.727 1.455 70 50 CDIA COC(=O)c1ccc(OS(=O)(=O)F)cc1Cl 1875375735 NSSCYWTVVVRAQS-UHFFFAOYSA-N 268.649 1.720 70 50 CDIA CSCc1noc(CNC(=O)Cn2nc(C)cc2C)n1 218547194 YVCRCWKSFNSKKD-UHFFFAOYSA-N 295.368 1.062 70 50 CDIA Cc1cc2c(c(=O)[nH]1)[C@H](c1ccnn1C(C)C)CC(=O)O2 218198135 ZZQWHVXRIURRFJ-JTQLQIEISA-N 287.319 1.902 70 50 CDIA