smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cccc(CN2CCN(C(=O)[C@H](O)C3CCCCC3)CC2=O)c1 217336838 MXOXBEKWQQTJNA-LJQANCHMSA-N 344.455 2.107 70 50 EEIA Cc1nc(NC(=O)[C@H]2CSCN2C(=O)C2CCC2)cc(C2CC2)n1 160315242 JKAOLPSFCAZODM-CQSZACIVSA-N 346.456 2.303 70 50 EEIA O=C(Nc1ccn(CC(F)(F)F)n1)N1CC[C@H](N2CCCC2)C1 160796544 KLOZOWKWVRQMJM-NSHDSACASA-N 331.342 2.147 70 50 EEIA COc1ccc2[nH]c(C(=O)N3CCC(n4cnnc4)CC3)cc2c1 217212723 VPWHTHIFIUXCBS-UHFFFAOYSA-N 325.372 2.245 70 50 EEIA CN(Cc1ccc(OS(=O)(=O)F)cc1)Cc1cccc(O)n1 1875387620 PTXZHXXEVIQWGB-UHFFFAOYSA-N 326.349 2.012 70 50 EEIA CN(C)c1ccccc1C(=O)N1CCCO[C@H](CN2CCCCC2)C1 216986773 XTCBAMFRZPJTAN-QGZVFWFLSA-N 345.487 2.470 70 50 EEIA COC(=O)[C@@H](C)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 159854043 CYARVUHAOOMZGR-GFCCVEGCSA-N 339.823 2.441 70 50 EEIA COCc1nnc(NC(=O)CC2(n3cccc3)CCOCC2)s1 218248145 DYMCEDVKUCCPEF-UHFFFAOYSA-N 336.417 2.021 70 50 EEIA COC(=O)N1CCCC[C@@H]1C(=O)NCc1nn(C)c2ccc(C)cc12 218502201 OLFFOECOWCOIFI-MRXNPFEDSA-N 344.415 2.119 70 50 EEIA Cc1ncsc1CCNC(=O)[C@@H](C)Oc1ccc2c(c1)OCO2 217140709 SJDGEPJOBBUSOD-LLVKDONJSA-N 334.397 2.306 70 50 EEIA Cc1nc2ccc(NC(=O)N[C@@H]3CCc4ncnn4C3)cc2s1 161109578 ARNHJLPBJJOZEP-LLVKDONJSA-N 328.401 2.333 70 50 EEIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)c1cccc([N+](=O)[O-])c1 1875374575 XBQDUQDQXJYAQX-UHFFFAOYSA-N 340.288 2.440 70 50 EEIA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)CCn1cc(Cl)cn1 217985872 PYSAWBMOYBPTPE-CABCVRRESA-N 341.839 2.183 70 50 EEIA O=C(c1scc2c1OCCO2)N1CC[C@@](O)(c2ccccc2)C1 218714851 DVWAILBHFMOOQA-KRWDZBQOSA-N 331.393 2.253 70 50 EEIA C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 161257896 HEBVYTYEHAQOCL-VXGBXAGGSA-N 345.848 2.000 70 50 EEIA CN(c1ccccc1)S(=O)(=O)c1ccccc1S(=O)(=O)F 240786086 IADLUDDUTOIEAY-UHFFFAOYSA-N 329.374 2.170 70 50 EEIA Cc1cc(C[C@@H](C)NC(=O)Nc2ccc([S@](C)=O)c(F)c2)n[nH]1 161146285 CBAYISLNVVQZMY-XQHREBAHSA-N 338.408 2.347 70 50 EEIA COC(=O)c1csc(NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1 161078636 WJFOAGQEFOYFTI-SNVBAGLBSA-N 334.401 2.290 70 50 EEIA OC[C@H](O)c1cc2n(n1)CCN(Cc1csc3ccccc13)C2 217204095 IMQAMNPXRKCOCU-INIZCTEOSA-N 329.425 2.139 70 50 EEIA O=C(Cc1cnccn1)N1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 217632597 OEFYEQFUPQDVJI-HNNXBMFYSA-N 325.347 2.398 70 50 EEIA CCOC(=O)c1oc2cnccc2c1OS(=O)(=O)C(F)(F)F 100191618 ZGTXJKRQQJEQPQ-UHFFFAOYSA-N 339.247 2.233 70 50 EEIA O=C(c1ccc2[nH]cnc2c1)N1CCC(N2CCCCC2=O)CC1 160497862 UQQARBSASLSPBA-UHFFFAOYSA-N 326.400 2.180 70 50 EEIA O=c1cc(N[C@@H]2CCN(c3ncccc3Cl)C2)nc2ccccn12 160834991 ZWIQBKYEPACLHS-GFCCVEGCSA-N 341.802 2.434 70 50 EEIA CC(=O)c1c(C)[nH]c(C(=O)N2CCOC[C@H]2[C@H]2CCCCC2=O)c1C 160649536 FAQNHAUKLGXUDM-CABCVRRESA-N 346.427 2.434 70 50 EEIA O=S(=O)(Cl)c1cc(C(F)(F)F)ccc1N1CCOCC1 100381349 QKPUXWDNBKSLIW-UHFFFAOYSA-N 329.727 2.470 70 50 EEIA C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cccc(C(F)(F)F)n1)CS2 161504985 GVORFSDWWNNPNB-SDBXPKJASA-N 345.346 2.493 70 50 EEIA CC(=O)Nc1cccc2c1ccn2CC(=O)NCCc1ccccn1 218298064 FRBOZGJREMBXQK-UHFFFAOYSA-N 336.395 2.354 70 50 EEIA CNC(=O)c1ccc(N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)nn1 161191274 MSZOWQKVQIGKRU-ZBFHGGJFSA-N 344.390 2.068 70 50 EEIA C[C@H](O)c1cc2n(n1)CCCN(S(=O)(=O)/C=C/c1ccccc1)C2 217090823 YHEIGBPDFDJBEJ-ZHZWZMEUSA-N 347.440 2.143 70 50 EEIA COc1ccc2[nH]cc(CCNC(=O)[C@H]3CC(=O)OC3(C)C)c2c1 218084678 OFXLESFQAKHEOU-CQSZACIVSA-N 330.384 2.177 70 50 EEIA biogenic CC(=O)N1CCN(Cc2ccc(OCCCn3ccnc3)cc2)CC1 217864751 QTXVOGWXSYYYGR-UHFFFAOYSA-N 342.443 2.016 70 50 EEIA O=C(Cc1cccs1)N[C@@H]1CCOC[C@H]1OCc1ccccn1 218297550 AZQPVALNOIXVCW-HZPDHXFCSA-N 332.425 2.176 70 50 EEIA C[C@@H](C(=O)NCc1csc(Cc2ccccc2)n1)n1cncn1 217000586 ZJJNMSRSQZTWJO-LBPRGKRZSA-N 327.413 2.203 70 50 EEIA C[C@@H](O)c1cc2n(n1)CCCN(S(=O)(=O)/C=C/c1ccccc1)C2 217090797 YHEIGBPDFDJBEJ-BMGYJQCNSA-N 347.440 2.143 70 50 EEIA COc1cc([C@@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc2c1OCO2 218003516 KMCRVCFQOXUMCB-JTQLQIEISA-N 330.292 2.127 70 50 EEIA biogenic COc1ccc(C(=O)NCc2nc(C3CCCCC3)no2)c(OC)n1 218754903 CJCGTBFPHHAMCS-UHFFFAOYSA-N 346.387 2.460 70 50 EEIA O=C1CCCCCN1CCC(=O)N1CC(Oc2ccc(F)cc2)C1 217863265 CNAVROQIQCLSQU-UHFFFAOYSA-N 334.391 2.208 70 50 EEIA Cc1ccc2nc(SCCC(=O)N3CCNC(=O)C3)cc(C)c2c1 217945963 KWUKVNQXXNPXFN-UHFFFAOYSA-N 343.452 2.292 70 50 EEIA Cc1ccc2[nH]c([C@H](C)NC(=O)CSc3nnc(N)s3)nc2c1 217965466 KFPJVVZLJWYENH-QMMMGPOBSA-N 348.457 2.275 70 50 EEIA Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2OCCc3ccccc32)c(F)c1 161055870 DSTXASFVMQCTLJ-MRXNPFEDSA-N 349.383 2.253 70 50 EEIA O=C(c1ccc(S(=O)(=O)F)cc1)N1CCCn2ncc(C3CC3)c21 1875367226 XRBIAKWYEJPENH-UHFFFAOYSA-N 349.387 2.469 70 50 EEIA CCCn1ncc(C(=O)N[C@@H]2CCOC[C@H]2OCC2CCC2)c1C 218662163 LAOWCWTUFUAMDY-IAGOWNOFSA-N 335.448 2.306 70 50 EEIA Cc1nc(NC(=O)[C@@H]2CSCN2C(=O)C2CCC2)cc(C2CC2)n1 160315133 JKAOLPSFCAZODM-AWEZNQCLSA-N 346.456 2.303 70 50 EEIA O=C(NC1Cc2ccccc2C1)N1CCN(Cc2ccccn2)CC1 161257011 MKKNOMCPECCNLU-UHFFFAOYSA-N 336.439 2.076 70 50 EEIA O=C(CCCOc1ccccc1)N[C@H]1CCCN(c2cnccn2)C1 218007549 HJXBGUAVSIQSMT-INIZCTEOSA-N 340.427 2.421 70 50 EEIA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1ccc(C)cc1OC)C2 216911253 ATCAGFDOIAQESF-CABCVRRESA-N 330.428 2.477 70 50 EEIA CC[C@H](O)c1cc2n(n1)CCN(C(=O)c1cccc3[nH]c(C)nc13)C2 216965226 JEAIGKVGBPETFC-INIZCTEOSA-N 339.399 2.167 70 50 EEIA Cc1ccc(C(=O)NCCNC(=O)[C@H](O)c2ccccc2Cl)cc1 160708442 MGLFQQYJVXXGNV-MRXNPFEDSA-N 346.814 2.228 70 50 EEIA CC(=O)c1[nH]c(C)c(C(=O)NCCCn2c(C)cccc2=O)c1C 217085816 IVINMZPPQMOWJN-UHFFFAOYSA-N 329.400 2.124 70 50 EEIA CN(C(=O)CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)C1CC1 161177515 HOOQEADSUUXREL-HUUCEWRRSA-N 342.361 2.434 70 50 EEIA CSc1ncc(CN2CCc3[nH]cnc3[C@@H]2c2ccncc2)cn1 218600475 SOITVRXJQXENTI-INIZCTEOSA-N 338.440 2.464 70 50 EEIA C[C@H](Cc1cccnc1)NC(=O)CCNC(=O)c1ccccc1F 217692101 ZLVGPSQWBQQYQU-CYBMUJFWSA-N 329.375 2.088 70 50 EEIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccccc1OC 217818230 RPXYOXHCKUSLLH-NSHDSACASA-N 343.335 2.001 70 50 EEIA biogenic O=c1cc(N[C@H]2CCN(c3ncccc3Cl)C2)nc2ccccn12 160835152 ZWIQBKYEPACLHS-LBPRGKRZSA-N 341.802 2.434 70 50 EEIA COc1ccc(C(=O)CCC(=O)N2C[C@@H]3CC[C@H](C2)[C@@H]3N(C)C)cc1 217172269 BQBAYUFEBFSALE-IGOJGBNBSA-N 344.455 2.457 70 50 EEIA CN1CCN(c2ccc(C(=O)NCCCc3ccncc3)cc2)CC1 218437577 ISELIDXMGXDTJW-UHFFFAOYSA-N 338.455 2.196 70 50 EEIA OC[C@@H](O)c1cc2n(n1)CCCN(Cc1cc3ccccc3o1)C2 218767213 MTPDJNOIHSBJSS-QGZVFWFLSA-N 327.384 2.061 70 50 EEIA O=S(=O)(F)N1CCC[C@@H](c2nc(-c3c(F)cccc3F)no2)C1 1875368419 PSGLYSHFQJSQCW-MRVPVSSYSA-N 347.318 2.409 70 50 EEIA CN(C)C[C@]1(CO)CCCN(C(=O)c2ccc(N3CCCC3)cc2)C1 217014759 GEVCFHZVSGXDAD-HXUWFJFHSA-N 345.487 2.063 70 50 EEIA COC[C@H]1[C@@H](NC(=O)C(C)(C)Oc2cccc(C)c2)[C@@H]2CCO[C@@H]21 218697300 GTCUDOKZBUVSIO-QAETUUGQSA-N 333.428 2.319 70 50 EEIA COC(=O)[C@H](C)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 159853942 CYARVUHAOOMZGR-LBPRGKRZSA-N 339.823 2.441 70 50 EEIA CSCc1ccc(C(=O)N2CCCO[C@H](Cn3cccn3)C2)o1 217371288 DIROKQGBRBRZFC-AWEZNQCLSA-N 335.429 2.270 70 50 EEIA Cc1ccccc1-n1cc(CNC(=O)Cn2nc3ccccc3n2)cn1 218735311 FSQQTHOZDPYXKN-UHFFFAOYSA-N 346.394 2.242 70 50 EEIA CCc1cc(N2CCN(C(=O)c3csc(SC)n3)CC2)ncn1 218687181 GFQASLDZVWKYCO-UHFFFAOYSA-N 349.485 2.180 70 50 EEIA Cc1ncsc1CCN(C)C(=O)COCC(F)(F)C(F)F 217793330 VZYDZZZJKAAELJ-UHFFFAOYSA-N 328.331 2.369 70 50 EEIA COCc1nnc(NC(=O)c2cnc3ccc(F)cc3c2O)s1 218317279 BGHTWTMLMLOMKQ-UHFFFAOYSA-N 334.332 2.330 70 50 EEIA Cc1nccn1-c1ccc(CNC(=O)c2ccc3[nH]nnc3c2)cc1 217017874 BBUJHFWNNJADFQ-UHFFFAOYSA-N 332.367 2.382 70 50 EEIA COc1cncc([C@@H](NC(=O)Cc2csc(C)n2)[C@H]2C[C@H](O)C2)c1 218640887 RHYJSQDIPIWOLE-KHIZAZIESA-N 347.440 2.026 70 50 EEIA C[C@H](N1CCN(c2ccc(S(C)(=O)=O)cc2)CC1)C(F)(F)F 159417728 WXDSUQKKHQZPQD-NSHDSACASA-N 336.379 2.163 70 50 EEIA CC(C)n1c(CNC(=O)C[C@H]2C=CS(=O)(=O)C2)nc2ccccc21 217481308 MDVRNMDBGIOUCN-CYBMUJFWSA-N 347.440 2.182 70 50 EEIA Cc1cc2c(c(=O)o1)[C@@H](c1cc3ccccc3n(C)c1=O)CC(=O)O2 218047631 LVWGLEZQWZQPJP-GFCCVEGCSA-N 337.331 2.241 70 50 EEIA biogenic CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1nn(C)c(C)c1Cl 218609309 UGTHPMPHLDYXRH-OLZOCXBDSA-N 341.839 2.252 70 50 EEIA COc1ccc2c(c1)C[C@@H](C(=O)NCc1csc(N(C)C)n1)CO2 218608469 LPZYLAFQRGGBHQ-GFCCVEGCSA-N 347.440 2.085 70 50 EEIA O=C1COc2cc(NC(=O)[C@H](O)c3ccccc3Cl)ccc2N1 160274792 FAKBJFXBDSIIQP-OAHLLOKOSA-N 332.743 2.343 70 50 EEIA O=C(Nc1cncc(OS(=O)(=O)F)c1)c1cncc(C2CC2)c1 1875387590 PAAMABARWWXWSH-UHFFFAOYSA-N 337.332 2.199 70 50 EEIA COc1ccccc1-n1cc([C@H](C)NC(=O)c2nc(C)c[nH]2)cn1 218241935 BTWKMGKPXRCTKY-LBPRGKRZSA-N 325.372 2.403 70 50 EEIA Cc1nc2ccc(C(=O)N[C@@H](c3cnn(C)c3)[C@H]3C[C@@H](O)C3)cc2o1 218153894 GWSYUWAWWQCMKW-SUYBPPKGSA-N 340.383 2.112 70 50 EEIA Cc1nc2sc([C@H](c3ccsc3)N3CCN(C)CC3)c(O)n2n1 218501809 VSBYNKPUQBJFIS-LBPRGKRZSA-N 349.485 2.203 70 50 EEIA O=C(NC[C@@H]1CNCCO1)c1ccc2cc(Br)ccc2c1 159658507 GMTJJIUINSOFLN-HNNXBMFYSA-N 349.228 2.321 70 50 EEIA C[C@H]1CCC2(CC2)N(C(=O)c2cncc(OS(=O)(=O)F)c2)C1 1875382184 UBXFFMTYZGOELL-JTQLQIEISA-N 328.365 2.079 70 50 EEIA CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(-c2ccc(OC)cc2OC)n[nH]1 218133207 CPIJSTXCSOAORZ-BDJLRTHQSA-N 347.415 2.231 70 50 EEIA Cc1ccc2[nH]c(C(=O)NC[C@@H]3CN(C4CC4)CCO3)cc2c1C 160384547 GVIGTEWMBMXNFD-OAHLLOKOSA-N 327.428 2.378 70 50 EEIA COc1cc(Cl)ccc1C(=O)N[C@H](c1cnn(C)c1)C1CC(O)C1 218512575 NFSNCSWNGMXBKZ-MEKTXKAGSA-N 349.818 2.324 70 50 EEIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)c1ccnc(F)c1F 1875320832 MNHGTLIFFDOEDW-UHFFFAOYSA-N 332.259 2.205 70 50 EEIA O=C(Cc1ccc(O)cc1)N1C[C@@H]2CC[C@H]1CN(C1CCOCC1)C2 216958967 RHVZFQUWQVKVLQ-AEFFLSMTSA-N 344.455 2.037 70 50 EEIA COCc1cccc(C(=O)N[C@H](c2ccccn2)[C@H]2C[C@H](O)C2)c1 218023466 ZGEXLFDPRVJMTO-JZXOWHBKSA-N 326.396 2.470 70 50 EEIA Cc1nc2cc(CNC(=O)CN(C)Cc3cccnc3)ccc2n1C 217642190 FNWGIXPGRVMFMD-UHFFFAOYSA-N 337.427 2.025 70 50 EEIA O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CC[C@@H]2CNC[C@@H]21 216948508 MHFKEBXCGIESTP-AEFFLSMTSA-N 328.437 2.336 70 50 EEIA CC[C@@H](O)c1cc2n(n1)CCN(Cc1cc(CN(C)C)cs1)C2 217373185 WIHBRABDEOYIOS-QGZVFWFLSA-N 334.489 2.465 70 50 EEIA CCCOc1c(CN2CCN(C)[C@@H](CO)C2)cc(Cl)cc1OC 217187927 ROYMGJKMVTWHKC-OAHLLOKOSA-N 342.867 2.246 70 50 EEIA CSCc1ccc(C(=O)NCCc2noc([C@H]3CCCO3)n2)o1 217382306 VCURVBFGACPXQY-GFCCVEGCSA-N 337.401 2.350 70 50 EEIA CCc1ccc(S(=O)(=O)NC[C@H](O)COc2cccc(C)c2)cc1 159923268 WISJEXPLWPETSJ-INIZCTEOSA-N 349.452 2.276 70 50 EEIA Cc1nccn1CCC(=O)N1CCN(c2nc3ccccc3o2)CC1 217392914 GJFICQZBBDBZHK-UHFFFAOYSA-N 339.399 2.072 70 50 EEIA O=C(Cc1cccc(O)c1)N1C[C@@H]2CC[C@H](C1)C(=O)N2CC1CCC1 216714793 RPAOKYFUOVOHSJ-SJORKVTESA-N 342.439 2.184 70 50 EEIA O=C(NCCCc1ccncc1)c1ccc(N2CCOCC2)cc1 218662747 GQFYIALYQGIURX-UHFFFAOYSA-N 325.412 2.281 70 50 EEIA Cc1nc2ccc(NC(=O)N[C@H]3CCc4ncnn4C3)cc2s1 161109686 ARNHJLPBJJOZEP-NSHDSACASA-N 328.401 2.333 70 50 EEIA CSCc1ccc(C(=O)N[C@H](c2cnn(C)c2)C2CC(O)C2)o1 218230787 MFBWXYLSRLEVEK-QHAMSDLMSA-N 335.429 2.118 70 50 EEIA CC(C)Oc1cc(N[C@H](Cc2ccccn2)[C@H]2C[C@@H](O)C2)nc(N)n1 218743384 QPKBINLDUADFGX-BPLDGKMQSA-N 343.431 2.035 70 50 EEIA C[C@@H](N1CCN(c2ccc(S(C)(=O)=O)cc2)CC1)C(F)(F)F 159417871 WXDSUQKKHQZPQD-LLVKDONJSA-N 336.379 2.163 70 50 EEIA CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@@H](c3nc(C)n[nH]3)C2)c1C 217186052 INOKZEQVYISEGV-CYBMUJFWSA-N 329.404 2.280 70 50 EEIA O=C(c1ccn(C(F)F)n1)N1CCC[C@H](OCc2ccccn2)C1 218758413 WSZANFYRESYRHN-ZDUSSCGKSA-N 336.342 2.495 70 50 EEIA O=C(Cn1ncc2ccccc21)NCCc1noc(C2CCCC2)n1 217963392 FULKZNJOOYGNLK-UHFFFAOYSA-N 339.399 2.436 70 50 EEIA O=C(CN1CCOc2ccccc2C1)N1CCC(c2cc[nH]n2)CC1 217066634 ZCLZIFAQVPHDOQ-UHFFFAOYSA-N 340.427 2.010 70 50 EEIA O=C1NC2(CCOCC2)C(=O)N1Cc1ncc(-c2ccccc2)s1 159776499 GYQRHWMKPAWFRI-UHFFFAOYSA-N 343.408 2.411 70 50 EEIA COc1ccccc1-n1cc([C@@H](C)NC(=O)c2nc(C)c[nH]2)cn1 218241876 BTWKMGKPXRCTKY-GFCCVEGCSA-N 325.372 2.403 70 50 EEIA CSCC[C@@H](CO)NC(=O)c1c[nH]c2c(C(C)C)cccc2c1=O 217652391 WWEVQTOVFGIPEX-LBPRGKRZSA-N 348.468 2.495 70 50 EEIA biogenic COc1ccccc1N1CC[C@@H](NC(=O)[C@H](C)c2cccnc2)C1=O 161366218 IZDYAENPSSBYLS-UKRRQHHQSA-N 339.395 2.115 70 50 EEIA NC[C@H]1CCCN1C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 160389472 ICKZFCYSXFYIDG-CYBMUJFWSA-N 338.333 2.454 70 50 EEIA CC1(C)[C@H]2CN(C(=O)CCc3ccc(S(=O)(=O)F)cc3)C[C@@H]21 1351010221 HHLJFCSABHNXJP-KBPBESRZSA-N 325.405 2.392 70 50 EEIA COc1ccccc1N1CC[C@H](NC(=O)c2cc(C(C)=O)cn2C)C1 161181901 RXCYEMKRZLZTCH-HNNXBMFYSA-N 341.411 2.245 70 50 EEIA O=C(CCCn1cccn1)N1CCC(OCc2ccccn2)CC1 218747557 SCQYUQIUYKXLCK-UHFFFAOYSA-N 328.416 2.266 70 50 EEIA Cc1ncc(CN(CCS(=O)(=O)F)[C@@H]2CC[C@H](C)C2)c(C)n1 1875382868 UWDWZWGRYUNXOG-XHDPSFHLSA-N 329.441 2.383 70 50 EEIA O=C(CN1CC[C@H](c2ccccc2)C1)NCc1ccc2nonc2c1 218260377 LEHIDRZEAGDYSV-INIZCTEOSA-N 336.395 2.329 70 50 EEIA CN1CCC(CNC(=O)[C@H](O)c2ccccc2)(c2ccccc2)CC1 217211122 OMBIXNXWGWWKDJ-LJQANCHMSA-N 338.451 2.500 70 50 EEIA CNC(=O)C(C)(C)CNC(=O)Nc1ccnn1Cc1cccc(C)c1 160146595 CQODQHPZAXCDNO-UHFFFAOYSA-N 343.431 2.134 70 50 EEIA Cc1cc(N)n(CC(=O)N2CCCC[C@@H]2CCc2cccc(O)c2)n1 217140455 SZIHGZUROWZTQD-MRXNPFEDSA-N 342.443 2.493 70 50 EEIA COc1ccc(-c2n[nH]cc2C(=O)N[C@H](CO)C(C)C)cc1Cl 218317700 PFVBYLSUZIBZGH-CYBMUJFWSA-N 337.807 2.485 70 50 EEIA O=C(Cn1ccnc1-c1ccccc1)NCc1ccc2[nH]c(=O)[nH]c2c1 218273075 PSPCSVNSGRSJST-UHFFFAOYSA-N 347.378 2.036 70 50 EEIA Cc1ccn(CCC(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)n1 218509363 GQVWDZDRROLBFD-SJORKVTESA-N 347.390 2.073 70 50 EEIA O=C(c1scc2c1OCCO2)N1CCC[C@H](c2ccncn2)C1 217653741 OAWRYVBWKYLHBP-NSHDSACASA-N 331.397 2.329 70 50 EEIA O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(-n2cccc2)ccc1Cl 218497802 GZFQQUBFKYWVMU-LLVKDONJSA-N 338.816 2.048 70 50 EEIA Cc1nc(C2CC2)oc1C(=O)Nc1cncc(OS(=O)(=O)F)c1 1875387663 RJUHEEVETYRZLG-UHFFFAOYSA-N 341.320 2.101 70 50 EEIA COCc1cccc(C(=O)N[C@@H](c2ccccn2)[C@H]2C[C@H](O)C2)c1 218023394 ZGEXLFDPRVJMTO-SOLBZPMBSA-N 326.396 2.470 70 50 EEIA CN1C(=O)C[C@H](CNC(=O)COCc2ccccc2)c2ccccc21 218261712 NECGHPFQCVSQGF-MRXNPFEDSA-N 338.407 2.470 70 50 EEIA Cc1cc(NC(=O)c2ccc(CN)cc2)ccc1N1C(=O)CCC1=O 159855672 CRUCXXLFNNGLDT-UHFFFAOYSA-N 337.379 2.359 70 50 EEIA COc1cc([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc2c1OCCO2 218112733 WNFMRUMTJUIWLL-LLVKDONJSA-N 344.319 2.169 70 50 EEIA biogenic C[C@@H](O)c1cc2n(n1)CCN(C(=O)CCCOCc1ccccc1)C2 218757261 UCMQFOJKYWYLTQ-OAHLLOKOSA-N 343.427 2.276 70 50 EEIA Cc1cnc(F)cc1C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875321249 ZQZADTYMPLPHES-UHFFFAOYSA-N 328.296 2.375 70 50 EEIA Cn1cc(C(=O)N2CCCO[C@@H](Cn3cccn3)C2)c2ccccc21 216999170 JVFQWJSVGYMNPY-OAHLLOKOSA-N 338.411 2.306 70 50 EEIA C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cc2ccccc2cc1N 161220477 WEJMYXHJGHCBTR-VXGBXAGGSA-N 332.425 2.070 70 50 EEIA O=C(N[C@H](CO)c1ccccc1)c1n[nH]c2c1COc1ccccc1-2 218165557 SJIUXWJNCPCKPW-OAHLLOKOSA-N 335.363 2.433 70 50 EEIA O=C(CCNc1ncccn1)NCCn1ccc2ccc(F)cc21 218252651 TXHDSLJCSJVMHY-UHFFFAOYSA-N 327.363 2.189 70 50 EEIA CC1(C)C[C@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C(C)(C)O1 161151264 DXOKIHZPUSZJDZ-INIZCTEOSA-N 346.475 2.255 70 50 EEIA Cc1cc2c(c(=O)o1)[C@H](c1cc3cccc4c3n(c1=O)CC4)CC(=O)O2 217993783 NRUSOOXEFVSQMM-ZDUSSCGKSA-N 349.342 2.260 70 50 EEIA biogenic Cn1cc([C@@H](NC(=O)c2coc3ccccc23)[C@H]2C[C@H](O)C2)cn1 218483616 SXNMFCCGVYRMGU-PPHDSNJXSA-N 325.368 2.408 70 50 EEIA C[C@H]1CC[C@H](N(CCS(=O)(=O)F)Cc2cnc3n2CCC3)C1 1875382732 OBNSFUPANBSSAE-STQMWFEESA-N 329.441 2.119 70 50 EEIA CCn1ccc2c(CN3CCC[C@H]3C(=O)N3CCOCC3)cccc21 217173718 KMUMVDICVSYFJV-IBGZPJMESA-N 341.455 2.484 70 50 EEIA CCN(C)CC(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 218450950 XMPJQUYOGAXJEM-KJXMEXGPSA-N 327.428 2.115 70 50 EEIA COc1ccc2[nH]c(C(=O)NCCCn3ccccc3=O)cc2c1 217357368 JENFIYGMDBONIS-UHFFFAOYSA-N 325.368 2.158 70 50 EEIA O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cn2ccsc2n1 218750529 PXKIFCMFUKQLOI-WDMOLILDSA-N 328.397 2.033 70 50 EEIA C[C@](O)(CNc1ccnc2c(F)cc(F)cc12)CN1CCOCC1 159638967 LNGAMSJDFDCSRO-KRWDZBQOSA-N 337.370 2.008 70 50 EEIA COc1cccc(C(=O)N2CCCn3nc([C@H](C)O)cc3C2)c1C 218447939 HPMWBBOEVHYEOF-ZDUSSCGKSA-N 329.400 2.300 70 50 EEIA O=C(c1ccccc1N1CCCC1)N1CCC(n2cnnc2)CC1 217648925 ZQLPDCDAIDZBGW-UHFFFAOYSA-N 325.416 2.356 70 50 EEIA CN1CC[C@H](N(C)CCC(=O)N(C)Cc2nc3ccccc3s2)C1 217194454 UHBUUPDBVGOJEM-AWEZNQCLSA-N 346.500 2.281 70 50 EEIA O=C(N[C@@H](CCn1cncn1)c1ccccc1)c1ccncc1F 218682823 QWWYTOVLHWONLI-INIZCTEOSA-N 325.347 2.374 70 50 EEIA COC[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccnn1C 218776823 YGJBZYOMFXAFIU-INIZCTEOSA-N 326.400 2.338 70 50 EEIA CC(=O)c1c(C)[nH]c(C(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)c1C 160649432 FAQNHAUKLGXUDM-HUUCEWRRSA-N 346.427 2.434 70 50 EEIA Cc1nc2ccccn2c1C(=O)N1CCC(c2ccnc(N)n2)CC1 218429738 HEMVUDYHUVTPDJ-UHFFFAOYSA-N 336.399 2.035 70 50 EEIA Cc1cc(NC(=O)CS(=O)(=O)c2ncc(C(C)(C)C)s2)no1 160342602 WWTFCFSFPHOYOK-UHFFFAOYSA-N 343.430 2.149 70 50 EEIA CN1CCC(C(=O)N(CCCn2ccnc2)Cc2ccncc2)CC1 217149518 HGRIPDOAQYJMNQ-UHFFFAOYSA-N 341.459 2.039 70 50 EEIA CC(C)NC(=O)CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 161163876 FYGPCFPWAHMVIZ-ZIAGYGMSSA-N 330.350 2.338 70 50 EEIA COc1cc([C@@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc(OC)c1OC 217971359 GTNMUYIPBYGMOJ-NSHDSACASA-N 346.335 2.415 70 50 EEIA biogenic CN(CC1(CO)CCOCC1)C(=O)CCC(=O)c1ccc(F)cc1 218340417 YIGYOICLABQJOO-UHFFFAOYSA-N 337.391 2.036 70 50 EEIA Cc1ccc(C(=O)N2CCn3nc([C@H](O)C4CC4)cc3C2)c(F)c1 218696241 KQKGUCWJOLHTQT-QGZVFWFLSA-N 329.375 2.430 70 50 EEIA C[C@H]1[C@@H](C)N(C(=O)c2cc3ccccc3cc2N)CCS1(=O)=O 161220218 WEJMYXHJGHCBTR-NEPJUHHUSA-N 332.425 2.070 70 50 EEIA CCOC(=O)[C@@H](CCc1ccccc1)OS(=O)(=O)C(F)(F)F 100010098 UDJNHUAEPSYCRU-LLVKDONJSA-N 340.319 2.417 70 50 EEIA in-vitro C[C@@H](CCOc1ccccc1)C(=O)N1CCC(S(=O)(=O)F)CC1 2325886023 SMKHLVRNZHFPLM-ZDUSSCGKSA-N 343.420 2.382 70 50 EEIA Cc1cc(C)n2nc(CC(=O)N3CCC[C@@H]3c3ccccn3)nc2n1 217689030 PLZBIDNMZKCBLP-OAHLLOKOSA-N 336.399 2.042 70 50 EEIA CC[C@@H](NC(=O)CN1CCc2ccccc2C1)c1cn2cccnc2n1 217163915 SPZFCPSOGHAMOM-QGZVFWFLSA-N 349.438 2.355 70 50 EEIA O[C@@H]1CN(CCC(F)(F)F)CCN(C2Cc3ccccc3C2)C1 216962262 NCLYJVAUWYCIEP-MRXNPFEDSA-N 328.378 2.085 70 50 EEIA COc1cc(OC)c([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc1OC 218021426 QPBAZHCJVOIQDU-LLVKDONJSA-N 346.335 2.415 70 50 EEIA biogenic Cc1cc(C)n(C2CN(C(=O)CN3CC[C@@H](c4ccccc4)C3)C2)n1 218348799 JYPPASFILCMGSL-GOSISDBHSA-N 338.455 2.373 70 50 EEIA COc1ccc(C(=O)N2CCC(c3ccnc(N)n3)CC2)cc1C 217033963 POTWMTUCLPSACP-UHFFFAOYSA-N 326.400 2.396 70 50 EEIA Cc1noc(C)c1CN1C(=O)[C@@H]2CC[C@H]1CN(Cc1nccs1)C2 216848284 WMXGJMIYDHDNCN-KGLIPLIRSA-N 346.456 2.371 70 50 EEIA CCc1c(C)nn(CC(=O)NCc2sc(COC)nc2C)c1C 218137994 WXAIDKDQRQUANP-UHFFFAOYSA-N 336.461 2.290 70 50 EEIA CN(Cc1nccs1)C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875388140 OUPHCFKUKLLYDG-UHFFFAOYSA-N 345.377 2.400 70 50 EEIA C[C@@H]1CN2CCC[C@@H]2CN1C(=O)Nc1ccc(-c2ncn(C)n2)cc1 161285132 VLVYIUBTNVWIPE-CZUORRHYSA-N 340.431 2.183 70 50 EEIA C[C@@H]1CC[C@@H](N(CCS(=O)(=O)F)Cc2cnc3n2CCC3)C1 1875382729 OBNSFUPANBSSAE-CHWSQXEVSA-N 329.441 2.119 70 50 EEIA CN(C)CCC1CCN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 160896610 PRPJFCAVZZNULP-ZACQAIPSSA-N 335.492 2.317 70 50 EEIA CN(c1ccc(OS(=O)(=O)F)cc1)S(=O)(=O)c1ccccc1 1875376086 ZCBZUVHAAKUDHZ-UHFFFAOYSA-N 345.373 2.105 70 50 EEIA Cc1nc(CC(C)C)cc(C(=O)N2CCC[C@@H]2c2nc(C)n[nH]2)n1 217601084 CGHHJRZBLDRGNO-OAHLLOKOSA-N 328.420 2.387 70 50 EEIA Cn1cc(C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)ccc1=O 159540147 JSZFKIJFYBIIRA-PBHICJAKSA-N 326.396 2.283 70 50 EEIA Cc1nc(CCNC(=O)c2cccc3c2OCCO3)nc2c1CCC2 218403791 KQDCGNLWSZNDMG-UHFFFAOYSA-N 339.395 2.017 70 50 EEIA Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCn1cccn1)O2 217123597 CDPFAEJUBIELPG-LJQANCHMSA-N 343.427 2.414 70 50 EEIA OC[C@H](Cc1c[nH]c2ccccc12)NC1CCC2(CC1)OCCO2 161495466 WIDCRDXRNFJJCM-INIZCTEOSA-N 330.428 2.347 70 50 EEIA Cc1cc(=O)c(O)c(CN2CCC[C@@H](c3nnc4ccccn34)C2)o1 218274037 KVTYBJIKWFUWLT-CYBMUJFWSA-N 340.383 2.076 70 50 EEIA C[C@@H](CO)N(C)C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 160457483 BCHLGCZEPKBJGC-VIFPVBQESA-N 338.205 2.292 70 50 EEIA O=S(=O)(F)Oc1ccc2ccccc2c1CN1CCOCC1 1875374179 DMKKKCSPRACRQD-UHFFFAOYSA-N 325.361 2.265 70 50 EEIA CC(=O)Nc1cccc2c1ccn2CC(=O)NCC1CCOCC1 218290688 NKHUKUCRFDYNAF-UHFFFAOYSA-N 329.400 2.143 70 50 EEIA Cc1ccnn1CCC(=O)N1CCC[C@H](c2nnc3ccccn23)C1 218609094 YJEHAUIWNLEEEZ-HNNXBMFYSA-N 338.415 2.031 70 50 EEIA O=C([C@@H]1C[C@H]1c1cccnc1)N1CCOC[C@@H]1C[C@H](O)c1ccco1 159623183 RRLNEHOYVHFORL-NXOAAHMSSA-N 342.395 2.129 70 50 EEIA COc1ccc(-n2cccn2)c(CN(C)C[C@@H](C)N2CCOCC2)c1 218541666 NSPIAQSSPUQGKO-MRXNPFEDSA-N 344.459 2.033 70 50 EEIA CCc1nc(C)ccc1OCC(=O)N1CCC[C@@H]1c1nc(C)n[nH]1 216994750 CXTFSSZXNFCHAS-CQSZACIVSA-N 329.404 2.121 70 50 EEIA C[C@H]1CCC[C@H](N(C)C(=O)c2cncc(OS(=O)(=O)F)c2)C1 1875385513 UUJHWIGGEBXILZ-JQWIXIFHSA-N 330.381 2.325 70 50 EEIA CC[C@]1(CO)CCCN(Cc2ccc(OS(=O)(=O)F)cc2)C1 1875387533 MJQHLIJVYPQJHI-HNNXBMFYSA-N 331.409 2.264 70 50 EEIA COc1ccc(C(=O)N[C@H](CO)c2ccccc2)cc1-n1cccn1 218263297 QEAXIZXHIHFRLJ-MRXNPFEDSA-N 337.379 2.344 70 50 EEIA Cc1c(C#N)cccc1NC(=O)c1cncc(OS(=O)(=O)F)c1 1875384805 IULFQPIQMLAQNX-UHFFFAOYSA-N 335.316 2.107 70 50 EEIA COc1ccc(-c2csc3ncc(C(=O)NC4CC4)c(=O)n23)cc1 218310997 SDDTWEKUKAEDTN-UHFFFAOYSA-N 341.392 2.324 70 50 EEIA O=S(=O)(F)N1CCC[C@H](c2nc(-c3c(F)cccc3F)no2)C1 1875368420 PSGLYSHFQJSQCW-QMMMGPOBSA-N 347.318 2.409 70 50 EEIA O=C(N[C@@H]1CCCN(Cc2cccnc2)C1)c1cnc2ccccc2n1 218247490 FTJQZEFVAQBAKT-MRXNPFEDSA-N 347.422 2.419 70 50 EEIA CN(C)CCC1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 160896353 PRPJFCAVZZNULP-BBWFWOEESA-N 335.492 2.317 70 50 EEIA Cn1cc([C@H]2CCN(C(=O)Nc3ccn(CC(F)(F)F)n3)C2)cn1 160815154 BACUGRPMMMKWCF-JTQLQIEISA-N 342.325 2.200 70 50 EEIA Cc1ccc2c(c1)c(C(=O)N[C@@H]1CCOC[C@H]1OCC1CC1)nn2C 218106877 CLWAUAVNTVRPEZ-NVXWUHKLSA-N 343.427 2.196 70 50 EEIA Cc1cc(=O)c(O)c(CN2CCC[C@H](c3nnc4ccccn34)C2)o1 218273976 KVTYBJIKWFUWLT-ZDUSSCGKSA-N 340.383 2.076 70 50 EEIA CC(C)n1ccc(CC(=O)Nc2ccc(OS(=O)(=O)F)cc2)n1 1875384319 DVXKUVBDCWPVCP-UHFFFAOYSA-N 341.364 2.238 70 50 EEIA Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cccc(OC(F)F)c2)o1 218379173 ZZPSRGMXUUMZEX-NSHDSACASA-N 339.294 2.263 70 50 EEIA O=C(N[C@H]1COC2(CCCC2)C1)c1cc(=O)[nH]c2ccc(F)cc12 218642863 FSVZYSDZLZHUOZ-GFCCVEGCSA-N 330.359 2.499 70 50 EEIA C[C@H](NC1CCN(CC(=O)N(C)C)CC1)c1cc2c(s1)CCC2 160398634 KQALYWMXPFJZAJ-ZDUSSCGKSA-N 335.517 2.440 70 50 EEIA OCc1cc2n(n1)CCCN(Cc1cncn1Cc1ccccc1)C2 217812431 WGLMUJQJFKKYIW-UHFFFAOYSA-N 337.427 2.026 70 50 EEIA CC(C)C[C@H](NC(=O)c1cc(=O)c2ccccc2o1)c1ncnn1C 218137522 RPCLOVHUXZXMKG-ZDUSSCGKSA-N 340.383 2.439 70 50 EEIA CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H](C)c2cccs2)CC1 159581808 GQRBZDGOYWCIMQ-LBPRGKRZSA-N 344.502 2.124 70 50 EEIA Cc1cc(-n2cccn2)ccc1CN(C)C[C@H](C)N1CCOCC1 218659438 HNJGWKAVOXMKOY-KRWDZBQOSA-N 328.460 2.333 70 50 EEIA CCCCN(Cc1cnc2c(C)cccn12)[C@H]1CCS(=O)(=O)C1 160778501 JOGMODKNDLTNNY-HNNXBMFYSA-N 335.473 2.432 70 50 EEIA Cc1noc([C@@H]2COCCN2Cc2noc(C3CCCCC3)n2)n1 161169395 PLNARJGGZVNMIK-ZDUSSCGKSA-N 333.392 2.382 70 50 EEIA CC(=O)N1CC(Nc2cnn(Cc3c(F)cccc3Cl)c2)=CC1=O 218476847 KSHQAXCJNXNPGF-UHFFFAOYSA-N 348.765 2.408 70 50 EEIA CCOc1ccc(-c2ccc(CN3CCN(C)[C@@H](CO)C3)o2)cc1 217600361 CRXYFIFGPSUCCO-MRXNPFEDSA-N 330.428 2.454 70 50 EEIA CN(CC(=O)N[C@H](c1ccccc1)c1nccn1C)Cc1cccnc1 217721579 IDKKGOPSUCJGJU-LJQANCHMSA-N 349.438 2.153 70 50 EEIA C[C@H](C(=O)NCc1csc(Cc2ccccc2)n1)n1cncn1 217000599 ZJJNMSRSQZTWJO-GFCCVEGCSA-N 327.413 2.203 70 50 EEIA Cc1nccn1CC[C@H](NC(=O)c1cc(O)no1)c1ccccc1 217626403 KKDSWZTZMYZTKN-AWEZNQCLSA-N 326.356 2.447 70 50 EEIA O=C(CC1=CSC2=NCCCN12)N1CCC[C@H](c2cc[nH]n2)C1 217838469 VRRNNWOWAAZOPO-LBPRGKRZSA-N 331.445 2.156 70 50 EEIA O=C(c1cc(-c2ccsc2)n[nH]1)N1CCN(C2CCCC2)C(=O)C1 218426375 MUTCJDQGNUNUME-UHFFFAOYSA-N 344.440 2.365 70 50 EEIA O=C(c1scc2c1OCCO2)N1CC[C@](O)(c2ccccc2)C1 218714944 DVWAILBHFMOOQA-QGZVFWFLSA-N 331.393 2.253 70 50 EEIA O=C(c1ccc2n[nH]nc2c1)N1C[C@H]2CC[C@@H](C1)N(CC1CCC1)C2 216970959 XHSMGFXCJDUQDT-HOCLYGCPSA-N 339.443 2.294 70 50 EEIA O=C(CN1C(=O)CC2(CCCC2)C1=O)Nc1ccc2cc[nH]c2c1 218396439 HXRDOOFDANIDGT-UHFFFAOYSA-N 325.368 2.426 70 50 EEIA Cn1ccc(NC(=O)[C@@H]2N3C(=O)c4ccccc4[C@H]3SC2(C)C)n1 218526691 ZQURLYRBMZBQTJ-XJKSGUPXSA-N 342.424 2.407 70 50 EEIA Cc1ncc(CN(CCS(=O)(=O)F)[C@H]2CC[C@H](C)C2)c(C)n1 1875382867 UWDWZWGRYUNXOG-NHYWBVRUSA-N 329.441 2.383 70 50 EEIA O=C(c1cncc(OS(=O)(=O)F)c1)N1CCC[C@@H]2CCC[C@@H]21 1875383707 ADEBPNHDKNPSEE-GWCFXTLKSA-N 328.365 2.079 70 50 EEIA CC[C@@H](CO)N(CCS(=O)(=O)F)Cc1ccc(Cl)s1 1875382495 DAWBRQSSGJXDOI-VIFPVBQESA-N 329.846 2.274 70 50 EEIA CCc1csc(CNc2cc(C3CC(N)C3)nc(COC)n2)n1 218242039 NZEXFNLZEHAWRC-UHFFFAOYSA-N 333.461 2.459 70 50 EEIA CN(C)c1ncccc1CNC(=O)N1CCO[C@@H](c2ccsc2)C1 160254772 HRTDTTSUUJRURY-OAHLLOKOSA-N 346.456 2.492 70 50 EEIA O=C1CC[C@@H]2CN(Cc3ccccc3)CC[C@@H]2N1CC1CCNCC1 217038231 UYDDNNHHAJHEQO-UXHICEINSA-N 341.499 2.499 70 50 EEIA O=C(COc1ncnc2ccccc12)N1CCC[C@@H](c2ccncn2)C1 217147730 RCBRCOLUGACXBS-CQSZACIVSA-N 349.394 2.205 70 50 EEIA Cc1cc(C)n(Cc2ccc(C(=O)N[C@H]3C[C@@H]4OCC[C@H]34)cc2)n1 218495261 YEVBQAOINSDNEK-SQNIBIBYSA-N 325.412 2.455 70 50 EEIA COc1ccc(-c2nnc3sc(Cn4ccnc4)nn23)cc1OC 218183360 QBWMQBQQTPBKAR-UHFFFAOYSA-N 342.384 2.115 70 50 EEIA Cn1ccc(NC(=O)[C@H]2N3C(=O)c4ccccc4[C@@H]3SC2(C)C)n1 218526608 ZQURLYRBMZBQTJ-CJNGLKHVSA-N 342.424 2.407 70 50 EEIA O=C(Cn1cc2ccccc2n1)NCCc1noc(-c2ccccc2)n1 217632025 YLIWGNBKKZAVTA-UHFFFAOYSA-N 347.378 2.445 70 50 EEIA COC[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccnn1C 218776739 YGJBZYOMFXAFIU-MRXNPFEDSA-N 326.400 2.338 70 50 EEIA CCC1(CC)CCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875385568 WIBNHEZBYIIGIM-UHFFFAOYSA-N 330.381 2.470 70 50 EEIA CCc1nc(C)ccc1OCC(=O)N[C@H]1CCOC2(CCOCC2)C1 217201794 UBOKTHJHFXFCDZ-HNNXBMFYSA-N 348.443 2.176 70 50 EEIA O=C(COC[C@H]1CCCCO1)NCCCc1nc2ccccc2[nH]1 218042911 IMZNVXYBPNWSPU-CQSZACIVSA-N 331.416 2.197 70 50 EEIA C[C@@H](Cc1cccnc1)NC(=O)CCNC(=O)c1ccccc1F 217692009 ZLVGPSQWBQQYQU-ZDUSSCGKSA-N 329.375 2.088 70 50 EEIA C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@H]2CCCC[C@@H]2O)CC1 161332450 WNBWEEUUAMJNBR-JLSDUUJJSA-N 346.475 2.210 70 50 EEIA NC(=O)CC1CCN(Cc2cc(O)ccc2Br)CC1 159818499 JXQYOZCIEOFMIC-UHFFFAOYSA-N 327.222 2.242 70 50 EEIA CCOC(=O)C[C@@H](C)NC(=O)c1cccc(OCC(F)(F)F)n1 160606638 OVXDPHWOLASPLT-SECBINFHSA-N 334.294 2.094 70 50 EEIA O=C(CCCn1nnc2ccccc2c1=O)Nc1ccc2[nH]cnc2c1 218265485 SOJCWXNOBMKJHA-UHFFFAOYSA-N 348.366 2.087 70 50 EEIA CN(CCc1ccncc1)C(=O)COCc1nc2cc(F)ccc2[nH]1 216997014 IBJSJUUPLROHDO-UHFFFAOYSA-N 342.374 2.315 70 50 EEIA CN(C)[C@@H](C(=O)NCCc1nc(C2CC2)no1)c1ccccc1F 217102347 LDMQCDCWQZCZFX-OAHLLOKOSA-N 332.379 2.048 70 50 EEIA O=C(N[C@H](CCn1cncn1)c1ccccc1)c1ccncc1F 218682884 QWWYTOVLHWONLI-MRXNPFEDSA-N 325.347 2.374 70 50 EEIA Cc1c[nH]nc1C1CCN(C(=O)CCN2CCCCCC2=O)CC1 217148451 JQMUQTIMUZPPHS-UHFFFAOYSA-N 332.448 2.217 70 50 EEIA O=C(COc1cccc(F)c1)N[C@@H]1COCC[C@@H]1OCC1CCC1 218286874 HXMPYINXINQEDX-SJORKVTESA-N 337.391 2.295 70 50 EEIA COc1ccc(C2(C(=O)N[C@@H]3COCC[C@H]3OC)CCCC2)cc1 217006745 XQPLUGUPNIJUQX-IAGOWNOFSA-N 333.428 2.427 70 50 EEIA Cc1cc(C)n2nc(CC(=O)N3CCC[C@H]3c3ccccn3)nc2n1 217689102 PLZBIDNMZKCBLP-HNNXBMFYSA-N 336.399 2.042 70 50 EEIA Cc1nc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc(C2CC2)n1 160219219 RCZGSNHLBLAQCN-CYBMUJFWSA-N 340.383 2.243 70 50 EEIA CCc1nn(C)c2[nH]nc(NC(=O)[C@H]3OCCc4ccccc43)c12 160275147 PYKBFSVBYGIIMR-AWEZNQCLSA-N 325.372 2.111 70 50 EEIA CN(C(=O)c1cncc(OS(=O)(=O)F)c1)c1ccccc1F 1875385106 MUQOTWBMVCHYEI-UHFFFAOYSA-N 328.296 2.090 70 50 EEIA CCc1ccc(CN2CCCn3nc([C@H](O)CN(C)C)cc3C2)o1 218192998 ADZWEPIDZFJKGP-GOSISDBHSA-N 332.448 2.039 70 50 EEIA CC(C)NC(=O)CN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 161164020 FYGPCFPWAHMVIZ-UONOGXRCSA-N 330.350 2.338 70 50 EEIA O=C(CSCCN1CCCC1)N1CC(c2nc3ccccc3[nH]2)C1 218770405 QVMYXGMSEMNXHW-UHFFFAOYSA-N 344.484 2.318 70 50 EEIA Nc1nc(NCc2cnn(-c3ccccc3)c2)cc(C2CC(N)C2)n1 218113934 RNISKLAZCLIJGO-UHFFFAOYSA-N 335.415 2.061 70 50 EEIA CCc1ccccc1OCCN1C[C@@H]2CC[C@H](C1)C(=O)N2CCOC 216647462 KCKJRACKRPVLDO-MSOLQXFVSA-N 346.471 2.197 70 50 EEIA O=S(=O)(F)Oc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)cc1 1875387666 ROULYCSATVMKBL-CYBMUJFWSA-N 339.392 2.382 70 50 EEIA CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NC1CCCCC1 218265593 SMISWSQEVAWKER-UHFFFAOYSA-N 349.456 2.462 70 50 EEIA Cc1nc(C2CCN(C(=O)Cc3ccc(N(C)C)cc3)CC2)no1 217887436 FLNOPBDSITYLBY-UHFFFAOYSA-N 328.416 2.393 70 50 EEIA COCCN1C[C@@H]2CC[C@H]1CN(C(=O)c1cc(CC(C)C)no1)C2 216940640 CLOMHXPFUQWTIB-HOCLYGCPSA-N 335.448 2.056 70 50 EEIA O=C(COCC(F)(F)C(F)F)NCc1nc2cc(F)ccc2[nH]1 217763743 VDYGDWGALMAVOF-UHFFFAOYSA-N 337.248 2.235 70 50 EEIA Cc1c(C)n(-c2ccc(OS(=O)(=O)F)cc2)c2ncnc(N)c12 1875389903 LIAIWMNKRZWLRT-UHFFFAOYSA-N 336.348 2.213 70 50 EEIA Cc1ccccc1-n1cc(CNC(=O)c2n[nH]c(N)c2Cl)cn1 217632706 KAXHEDRRHFYYBV-UHFFFAOYSA-N 330.779 2.069 70 50 EEIA Cc1ncsc1CCNC(=O)[C@H](C)Oc1ccc2c(c1)OCO2 217140719 SJDGEPJOBBUSOD-NSHDSACASA-N 334.397 2.306 70 50 EEIA O=C(N[C@@H]1COC2(CCCC2)C1)c1cc(=O)[nH]c2ccc(F)cc12 218642794 FSVZYSDZLZHUOZ-LBPRGKRZSA-N 330.359 2.499 70 50 EEIA COc1cccc2c(O)c(C(=O)Nc3n[nH]c(C(C)C)n3)cnc12 218373985 FHMWFSLPCHBPOQ-UHFFFAOYSA-N 327.344 2.443 70 50 EEIA C[C@@H](O)C1CCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC1 161266985 MIFJUTAANRVEAD-GFCCVEGCSA-N 329.404 2.107 70 50 EEIA O=C(Nc1cncc(OS(=O)(=O)F)c1)[C@@H]1CCc2ccccc21 1875387695 UBHDGRRSEGOPSL-CQSZACIVSA-N 336.344 2.343 70 50 EEIA C[C@H](OC1CCCCCC1)C(=O)NS(=O)(=O)c1cccnc1 161124144 QDWQIKPQLMBVCL-LBPRGKRZSA-N 326.418 2.014 70 50 EEIA COCc1nc2n(n1)C[C@H](NC(=O)Nc1c(C)cc(C)cc1C)CC2 160863668 HVDKZIDORTWTCX-CQSZACIVSA-N 343.431 2.486 70 50 EEIA CN1CCN(c2ccc(C(=O)N[C@@H]3COc4ccccc43)cc2)CC1 218765431 XAIQQDOLPCFHRR-GOSISDBHSA-N 337.423 2.302 70 50 EEIA Cc1cc(C)cc([C@@H](C)NC2CCN(CCS(C)(=O)=O)CC2)c1 159883761 MFGLXWVOKQTGRY-MRXNPFEDSA-N 338.517 2.463 70 50 EEIA O=C(N[C@@H](CCn1cncn1)c1ccccc1)c1ccc2[nH]nnc2c1 217805251 VXJKIRSZFMSWOT-HNNXBMFYSA-N 347.382 2.111 70 50 EEIA COCCn1cncc1CNC(=O)Cc1c(C)[nH]c2ccccc12 218105878 OVVRQRGEPROSKQ-UHFFFAOYSA-N 326.400 2.178 70 50 EEIA Cc1ccc([C@@H](CNC(=O)NCc2cnn(C)c2C)N(C)C)cc1 161063325 BBBMIJAFSSHZSL-QGZVFWFLSA-N 329.448 2.139 70 50 EEIA CCc1ccc2occ(CC(=O)N3CCn4nc(CO)cc4C3)c2c1 217464003 RGYOFHSUQXVGFL-UHFFFAOYSA-N 339.395 2.269 70 50 EEIA Cc1cn2cccc(C(=O)N[C@H](c3ccccn3)[C@H]3C[C@@H](O)C3)c2n1 218306229 OLIUXMKZCOEJMW-ZQIUZPCESA-N 336.395 2.280 70 50 EEIA O=C(c1ccc2ncsc2c1)N1CCCn2nc(CO)cc2C1 217087219 FIQMMZPVMYHNLI-UHFFFAOYSA-N 328.397 2.031 70 50 EEIA CCc1nc(C)ccc1OCC(=O)N1CCC(c2noc(C)n2)CC1 217135306 PIPGYAZQOYYWKP-UHFFFAOYSA-N 344.415 2.429 70 50 EEIA O=S(=O)(F)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)OCO3)[nH]1 1875368500 VQJBEMOEFYHSFQ-NSHDSACASA-N 339.348 2.157 70 50 EEIA COc1ccc([C@H](CC(N)=O)c2c(C)[nH][nH]c2=O)c2ccccc12 218230542 JEYBCFLKZSEGTG-AWEZNQCLSA-N 325.368 2.181 70 50 EEIA CCc1nccn1CCC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 217196534 BHBAAWMMOKXLMX-ZDUSSCGKSA-N 329.400 2.484 70 50 EEIA CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)CC1=CSC2=NCCN12 218370876 HPEWJXLYVBYQOL-UHFFFAOYSA-N 333.461 2.316 70 50 EEIA O=C(Cc1c(F)ccc(F)c1F)N[C@H]1CCOC2(CCOCC2)C1 217199128 KWFCLABVUCHLMU-NSHDSACASA-N 343.345 2.491 70 50 EEIA O=C(CCc1ccc(O)cc1)NC1CCN(C2CCOCC2)CC1 218713786 GBAZRIKLLCGTKU-UHFFFAOYSA-N 332.444 2.084 70 50 EEIA C[C@H]1CCC[C@@H](C)CN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875384149 CXQLZTMMYWQDCQ-MNOVXSKESA-N 330.381 2.325 70 50 EEIA Cc1cc(N)n(CC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)n1 217198050 KKVKJSXHIXARAN-OAHLLOKOSA-N 338.415 2.404 70 50 EEIA Cc1cc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)c2c(C)noc2n1 218391818 KHARMFGUHMLNNN-CABCVRRESA-N 345.399 2.154 70 50 EEIA O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1ccc(Cl)s1 218644904 SGOADPYXWLAMCT-GJQVQUKXSA-N 326.849 2.383 70 50 EEIA CCN(Cc1ccccn1)[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 161084387 ZQTYBYMJQOCDRI-AWEZNQCLSA-N 338.411 2.277 70 50 EEIA O=C1c2ccccc2C(=O)N1Cc1ccc(S(=O)(=O)Cl)s1 100014649 KZRZSNJPWGKGQU-UHFFFAOYSA-N 341.797 2.472 70 50 EEIA CC1(C)[C@H]2CN(C(=O)CCc3ccc(S(=O)(=O)F)cc3)C[C@H]21 1351010222 HHLJFCSABHNXJP-OKILXGFUSA-N 325.405 2.392 70 50 EEIA O=C([C@H]1CSCN1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 159507702 KCMBDJDATXWQNP-CABCVRRESA-N 340.876 2.275 70 50 EEIA COc1ccc2c(ccn2CCNC(=O)[C@H]2CC(=O)OC2(C)C)c1 218017796 ZNRDQWSVJFDILI-CQSZACIVSA-N 330.384 2.108 70 50 EEIA biogenic CC(=O)c1[nH]c(C)c(C(=O)N2CCC[C@H](c3nc(C)n[nH]3)C2)c1C 217186071 INOKZEQVYISEGV-ZDUSSCGKSA-N 329.404 2.280 70 50 EEIA O=C(CCCOCc1ccccc1)N1CCCn2nc(CO)cc2C1 217551642 DKPNPMRPOHEIEF-UHFFFAOYSA-N 343.427 2.105 70 50 EEIA O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(-n2cccc2)ccc1Cl 218497876 GZFQQUBFKYWVMU-NSHDSACASA-N 338.816 2.048 70 50 EEIA O=C(CN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCCC1 161103269 DKROFSIEMKRILG-GJZGRUSLSA-N 342.361 2.436 70 50 EEIA O=C(CCC1CCCC1)NCC(=O)N1CCC(NCC2CC2)CC1 159760487 OBTIEVIKVUVJDJ-UHFFFAOYSA-N 335.492 2.064 70 50 EEIA CC(C)(C)OC(=O)N1CCOc2cc(OS(=O)(=O)F)ccc2C1 1875368282 GEINBQNDYRGDRI-UHFFFAOYSA-N 347.364 2.409 70 50 EEIA CC(C)c1nnc([C@H](C)NC(=O)CN2CCOc3ccccc3C2)o1 217216664 OHXMMPLFVXICLH-ZDUSSCGKSA-N 344.415 2.265 70 50 EEIA C[C@@H]1CC(=O)CC[C@@H]1c1nc(CC(=O)NCc2ccccc2)no1 160988966 RRPPBULRTCBIRC-DOMZBBRYSA-N 327.384 2.401 70 50 EEIA Cn1c(CNC(=O)COCC(F)(F)C(F)F)nc2ccccc21 217513980 ZGIOQGJICGRMOZ-UHFFFAOYSA-N 333.285 2.107 70 50 EEIA CC(=O)c1c(C)nn(CC(=O)N(C)C2Cc3ccccc3C2)c1C 218582920 LWKPHELISWMEAD-UHFFFAOYSA-N 325.412 2.328 70 50 EEIA CN1CCC(C(=O)NCc2cnn3cccnc23)(c2ccccc2)CC1 217574043 BANHDWSLVPXJRN-UHFFFAOYSA-N 349.438 2.009 70 50 EEIA Cc1cc(S(=O)(=O)N[C@@H]2CCN(c3ccccn3)C2)cc(C)c1F 159380288 QDKZWWCVTXGOIU-CQSZACIVSA-N 349.431 2.395 70 50 EEIA C[C@H](OCC(F)(F)F)C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875385307 QOIAZYHULRXWPD-ZETCQYMHSA-N 345.270 2.186 70 50 EEIA CCc1nccn1CCC(=O)NC[C@@H]1CC(=O)N(C)c2ccccc21 217915093 FWXWETOUFFELHQ-AWEZNQCLSA-N 340.427 2.102 70 50 EEIA C[C@H](c1ccncc1)N1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2O)CC1 161332215 WNBWEEUUAMJNBR-OLMNPRSZSA-N 346.475 2.210 70 50 EEIA CCCN1C(=O)[C@@H]2CC[C@H]1CN(C(=O)c1cc(F)ccc1OC)C2 216828648 AKVJFFIHXVUYJL-OCCSQVGLSA-N 334.391 2.307 70 50 EEIA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1scc2c1OCCO2 218769732 UWJGBBJBZMSRGB-UHIISALHSA-N 346.408 2.156 70 50 EEIA C[C@H]1CC(=O)CC[C@H]1c1nc(CC(=O)NCc2ccccc2)no1 160989363 RRPPBULRTCBIRC-SWLSCSKDSA-N 327.384 2.401 70 50 EEIA CC(C)(C)[C@H]1CCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875384297 DOIWVLZNRPKQDZ-GFCCVEGCSA-N 330.381 2.325 70 50 EEIA Cc1cc(C)n(Cc2cccc(C(=O)N[C@@H]3C[C@@H]4OCC[C@@H]43)c2)n1 217779013 PCFFZDBBSLYVHD-KURKYZTESA-N 325.412 2.455 70 50 EEIA O=C(NCCc1nnc(-c2ccccc2)o1)N1CC[C@@]2(CCOC2)C1 160052852 CUWCTAGYKIYLLX-GOSISDBHSA-N 342.399 2.101 70 50 EEIA O=S(=O)(N[C@@H]1CCN(c2ccccn2)C1)c1cccc(Cl)c1 159377806 TWHHXTLPMUQCET-CYBMUJFWSA-N 337.832 2.292 70 50 EEIA O=S(=O)(/C=C/c1ccccc1)N[C@@H]1CCOC[C@H]1OCC1CC1 217987240 AMNBJPMZZWKLHP-YVKRRXEKSA-N 337.441 2.161 70 50 EEIA CS(=O)(=O)CCC(=O)N1CCC(Oc2ccccc2Cl)CC1 160625112 ROUHUXZKWXPAGE-UHFFFAOYSA-N 345.848 2.145 70 50 EEIA COc1ccccc1C(=O)NCC(=O)N[C@@H]1CCOC2(CCCC2)C1 161301847 XECJBLCGRJJBBR-CQSZACIVSA-N 346.427 2.033 70 50 EEIA COCCN1CCC(CNC(=O)[C@@H](c2ccc(C)cc2)N(C)C)CC1 218649035 MRBUUSCBTGFMOP-LJQANCHMSA-N 347.503 2.072 70 50 EEIA Cc1nc(-c2cccc(NC(=O)c3cccc4c3oc(=O)n4C)c2)n[nH]1 160514406 OJPZOFUHNQCVJE-UHFFFAOYSA-N 349.350 2.477 70 50 EEIA Cc1cc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2Cc2ccccc2)nc(C)n1 218289686 OFAPIJPRDVSZST-NBMJBFSESA-N 337.423 2.469 70 50 EEIA Nc1ccc(C(=O)NCCc2csc(-c3cccnc3)n2)cn1 218757089 FBHASKORMXHLCZ-UHFFFAOYSA-N 325.397 2.155 70 50 EEIA O=C([C@@H]1CSCN1)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 159507457 KCMBDJDATXWQNP-GJZGRUSLSA-N 340.876 2.275 70 50 EEIA Cc1cc(C[C@@H](C)NC(=O)Cn2c(C)cc(=O)c3ccccc32)[nH]n1 218288859 KKMJDOQSAYLGQO-GFCCVEGCSA-N 338.411 2.089 70 50 EEIA CC[C@@H](O)c1cc2n(n1)CCCN(Cc1[nH]cc(C)c(=O)c1C)C2 217503880 QMDSKFXPFHMZEU-QGZVFWFLSA-N 330.432 2.038 70 50 EEIA O=C(CCn1cnc2ccccc21)NCCc1nc(C2CC2)no1 217056655 ROAJQQSUQVCMDW-UHFFFAOYSA-N 325.372 2.046 70 50 EEIA O=C(COc1ncnc2ccccc12)N1CCC[C@H](c2ccncn2)C1 217147739 RCBRCOLUGACXBS-AWEZNQCLSA-N 349.394 2.205 70 50 EEIA COC(=O)C[C@H](c1ccc2c(c1)OCCO2)c1c(O)cc(C)oc1=O 218029992 SZBYGNNHLYMQKY-GFCCVEGCSA-N 346.335 2.120 70 50 EEIA biogenic COc1ccccc1C1CCN(C(=O)c2cnc(N)nc2C)CC1 218465843 JXZKTTUNNWBZMZ-UHFFFAOYSA-N 326.400 2.396 70 50 EEIA COc1cc([C@@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc2c1OCCO2 218112652 WNFMRUMTJUIWLL-NSHDSACASA-N 344.319 2.169 70 50 EEIA biogenic O[C@@H](c1ccccc1)c1cc2n(n1)CCN(c1ncnc3[nH]ccc13)C2 217561564 LCMDYICUHFMSTG-KRWDZBQOSA-N 346.394 2.256 70 50 EEIA Cc1noc([C@@H](NC(=O)N2CCC(Cn3cccn3)CC2)C(C)C)n1 159728784 OXCZADUBGTXRNZ-HNNXBMFYSA-N 346.435 2.393 70 50 EEIA O=C(CN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CC1 161175605 STBYBLWWFQMKRU-KGLIPLIRSA-N 328.334 2.092 70 50 EEIA Cn1ccnc1[C@@H](O)c1cc2n(n1)CCN(C/C=C/c1ccccc1)C2 218271346 KEPIVLULEWCBKI-MEQKGCOVSA-N 349.438 2.227 70 50 EEIA Cn1cc(C(N)=O)cc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 159839336 RZUPTZAGGSQYKP-ZDUSSCGKSA-N 327.384 2.156 70 50 EEIA Cc1ccc2[nH]c([C@H](NC(=O)Cn3nc(C)cc3N)C(C)C)nc2c1 217659670 UUCRLPQODMBZHV-QGZVFWFLSA-N 340.431 2.472 70 50 EEIA CC[C@H](O)c1cc2n(n1)CCN(C(=O)Cc1noc3ccccc13)C2 216911372 MQVHVLTVIXFMAF-INIZCTEOSA-N 340.383 2.053 70 50 EEIA O=C(CSc1ccccc1)N1CCN(C(=O)c2ccc[nH]2)CC1 218103445 UGNLZTPTNSECNW-UHFFFAOYSA-N 329.425 2.091 70 50 EEIA C[C@H](Cc1cccnc1)NC(=O)c1cccc(N2CCOCC2)c1 216995220 JXKPHYBQXAAAET-OAHLLOKOSA-N 325.412 2.279 70 50 EEIA CN(C)C(=O)[C@@H]1CCCN1C(=O)COc1ccc2c(c1)CCCC2 160316745 KNFCNBWEKKVSNK-KRWDZBQOSA-N 330.428 2.023 70 50 EEIA COc1nc(N[C@@H]2COCC[C@@H]2OCc2ccccc2)ncc1F 218253591 YQVIOCIIWOCPNI-CABCVRRESA-N 333.363 2.411 70 50 EEIA O=C(CCCc1c[nH]c2ccccc12)N1CCn2nc(CO)cc2C1 217445333 YRTDUIARDISICG-UHFFFAOYSA-N 338.411 2.222 70 50 EEIA CC1(C)Cc2cc(CN3CCCn4nc(CO)cc4C3)ccc2O1 217383470 KQLFSWWBRUPCNI-UHFFFAOYSA-N 327.428 2.495 70 50 EEIA Cc1cc(C[C@H](C)NC(=O)Cn2c(C)cc(=O)c3ccccc32)[nH]n1 218288902 KKMJDOQSAYLGQO-LBPRGKRZSA-N 338.411 2.089 70 50 EEIA O=S(=O)(F)N1CCC[C@@H]1c1nc(Cc2ccc(F)cc2)no1 1875368268 FHLBXXNATHBBKJ-LLVKDONJSA-N 329.328 2.151 70 50 EEIA Cn1cc(C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)ccc1=O 159540246 JSZFKIJFYBIIRA-RHSMWYFYSA-N 326.396 2.283 70 50 EEIA CCC(=O)N1CC[C@H](C(=O)N2CCC[C@H]2Cc2ccccc2OC)C1 161095461 BIUXXMUNWKKGOV-IRXDYDNUSA-N 344.455 2.487 70 50 EEIA COc1cc(OC)c(C2CCN(S(=O)(=O)F)CC2)c(OC)c1 1875373853 QZKSACYTINKXJQ-UHFFFAOYSA-N 333.381 2.106 70 50 EEIA Cc1cc(Cl)ccc1OCCN1CCN(C[C@@H]2[C@H]3CNC[C@H]32)CC1 217718764 LMOIZFUTQHOECK-PIIMJCKOSA-N 349.906 2.110 70 50 EEIA Cc1nnc(CCNC(=O)CN2CCC(c3ccccc3)CC2)s1 216993345 IJQXJXDREANPHV-UHFFFAOYSA-N 344.484 2.385 70 50 EEIA COc1ccc(F)cc1[C@H](C)NC(=O)N[C@H]1CCc2[nH]ncc2C1 161112427 BOAYHPIXQJUYBG-GWCFXTLKSA-N 332.379 2.475 70 50 EEIA Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2ccc(F)c(Cl)c2)o1 218367973 VPZUIRHSYRKUNX-VIFPVBQESA-N 325.723 2.454 70 50 EEIA O=C(Nc1cncc(OS(=O)(=O)F)c1)c1cc(F)ccc1F 1875387678 SGAQEVLJWNJYCV-UHFFFAOYSA-N 332.259 2.205 70 50 EEIA COCCN1CCC(CNC(=O)[C@H](c2ccc(C)cc2)N(C)C)CC1 218649126 MRBUUSCBTGFMOP-IBGZPJMESA-N 347.503 2.072 70 50 EEIA Cc1nc(O)nc(C)c1CCC(=O)N1CCC[C@@H]1c1ccccn1 217423563 VAPUBYMLIFZLKR-MRXNPFEDSA-N 326.400 2.490 70 50 EEIA O=C(NCCCN1CCOCC1)c1cnc2cc(Cl)ccc2c1O 218378157 YSXPYLQDBYIPCD-UHFFFAOYSA-N 349.818 2.046 70 50 EEIA O=C(c1cncc(OS(=O)(=O)F)c1)N1CCC[C@@H]2CCC[C@H]21 1875383709 ADEBPNHDKNPSEE-GXFFZTMASA-N 328.365 2.079 70 50 EEIA CCc1nc(C)ccc1OCC(=O)N1CCC(c2cc[nH]n2)CC1 217216108 VVVMBZUXYAXZLN-UHFFFAOYSA-N 328.416 2.461 70 50 EEIA CC(C)c1csc(CCNC(=O)CN(C)Cc2cccnc2)n1 217630176 QDJXYQIJJVSLKC-UHFFFAOYSA-N 332.473 2.452 70 50 EEIA C[C@@H](OCC(F)(F)F)C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875385306 QOIAZYHULRXWPD-SSDOTTSWSA-N 345.270 2.186 70 50 EEIA O=C(N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1)c1cc(Cl)c[nH]c1=O 218168494 CDMFFEOCPOBAQE-MYPMTAMASA-N 336.819 2.352 70 50 EEIA CCO[C@H]1CN(C2CCN(c3ccc4c(c3)CCC4)CC2)C[C@@H]1O 218392699 CAGPCLBMRAJKSE-PMACEKPBSA-N 330.472 2.226 70 50 EEIA COc1cccc(C(=O)NCC(=O)N[C@H]2CCOC3(CCCC3)C2)c1 161399792 OZJFPUJQABCDCL-HNNXBMFYSA-N 346.427 2.033 70 50 EEIA Cc1cc2cccc(C(=O)N3CCCn4nc(CO)cc4C3)c2o1 217823113 HNXLZMZCVJIBAM-UHFFFAOYSA-N 325.368 2.476 70 50 EEIA O=C1CCN(C(=O)C[C@@H](Cc2ccccc2)c2ccco2)CCN1 217368648 WDDPGSHJGGWZND-MRXNPFEDSA-N 326.396 2.345 70 50 EEIA Cc1nccc(C2CCN(C(=O)CN(C)Cc3ccccn3)CC2)n1 217778599 LESIELSXIMIRBX-UHFFFAOYSA-N 339.443 2.018 70 50 EEIA Cc1ccc(F)cc1CC(=O)N1CCN(CC(C)C)[C@H](CCO)C1 218558091 VRXGVGZAOHKLOK-GOSISDBHSA-N 336.451 2.228 70 50 EEIA O=C(CN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCCC1 161103468 DKROFSIEMKRILG-CABCVRRESA-N 342.361 2.436 70 50 EEIA CC[C@@]1(CO)CCCN(Cc2ccc(OS(=O)(=O)F)cc2)C1 1875387534 MJQHLIJVYPQJHI-OAHLLOKOSA-N 331.409 2.264 70 50 EEIA CN1C(=O)C[C@@H](CNC(=O)COCc2ccccc2)c2ccccc21 218261647 NECGHPFQCVSQGF-INIZCTEOSA-N 338.407 2.470 70 50 EEIA O=C(NCCCn1ccccc1=O)c1ccc(N2CCCC2)cc1 217108246 ZRXLVALFXHKQAS-UHFFFAOYSA-N 325.412 2.269 70 50 EEIA O=C(c1cncc(OS(=O)(=O)F)c1)N1CCC[C@H]2CCC[C@H]21 1875383712 ADEBPNHDKNPSEE-ZWNOBZJWSA-N 328.365 2.079 70 50 EEIA CN(C)[C@H](C(=O)NCCc1noc(C2CCC2)n1)c1cccc(F)c1 217077493 WDPBLURHZQCTNV-INIZCTEOSA-N 346.406 2.438 70 50 EEIA COCCc1noc([C@H](C)NC(=O)c2cc(F)c(F)cc2F)n1 218629484 NHFLJULWLWGIOD-ZETCQYMHSA-N 329.278 2.167 70 50 EEIA CC[C@@H](O)c1cc2n(n1)CCN(C(=O)c1cccc3[nH]c(C)nc13)C2 216965214 JEAIGKVGBPETFC-MRXNPFEDSA-N 339.399 2.167 70 50 EEIA CCn1c(C)cc(C)c(C(=O)N(C)[C@@H](COC)c2ccccn2)c1=O 217766413 XWVFXUOHTKYLHF-INIZCTEOSA-N 343.427 2.340 70 50 EEIA Cc1nc2cc(CNC(=O)CCN3CCCCCC3=O)ccc2n1C 217205738 INXJDXCMUDMGHU-UHFFFAOYSA-N 342.443 2.291 70 50 EEIA CCCCn1ncc(NC(=O)N2CCOC3(CCOCC3)C2)c1C 160197807 NDXUALOAUTXQLD-UHFFFAOYSA-N 336.436 2.405 70 50 EEIA Cc1nc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc(C2CC2)n1 160219352 RCZGSNHLBLAQCN-ZDUSSCGKSA-N 340.383 2.243 70 50 EEIA COc1cc([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc2c1OCO2 218003602 KMCRVCFQOXUMCB-SNVBAGLBSA-N 330.292 2.127 70 50 EEIA biogenic Cc1onc(C(=O)N[C@@H](C)c2ccccc2-n2cccn2)c1CO 218530847 FGWJRFVACZUCJW-NSHDSACASA-N 326.356 2.152 70 50 EEIA Cc1nn(C)cc1[C@H](C)NC(=O)C1CCN(Cc2ccco2)CC1 217975722 FRDWMUIQZSLJER-ZDUSSCGKSA-N 330.432 2.411 70 50 EEIA Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2cccc(OC(F)F)c2)o1 218379098 ZZPSRGMXUUMZEX-LLVKDONJSA-N 339.294 2.263 70 50 EEIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccccc1OC 217818141 RPXYOXHCKUSLLH-LLVKDONJSA-N 343.335 2.001 70 50 EEIA biogenic CC[C@@H](C)[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccc(OC)c(OC)c1 218246046 ZLNPOAJNRANRPJ-BXUZGUMPSA-N 347.415 2.231 70 50 EEIA O=S(=O)(F)Oc1ccc(NS(=O)(=O)c2ccccc2)cc1 1875374106 AWMXQJJGNXHUKA-UHFFFAOYSA-N 331.346 2.081 70 50 EEIA C[C@H]1Cc2cc(C(=O)NCCCCCN3CCOCC3)ccc2O1 218549097 JQPMTFUVPRLWFY-HNNXBMFYSA-N 332.444 2.242 70 50 EEIA Cn1nc(C2CC2)cc1C(=O)Nc1ccc(OS(=O)(=O)F)cc1 1875383691 AAQBCNWUTAFPCN-UHFFFAOYSA-N 339.348 2.143 70 50 EEIA O=C(CCCN1CCCCC1=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 218409429 UNLYEPAKKMAQND-OBZTUIKSSA-N 348.487 2.489 70 50 EEIA CN1CCN(C(=O)CCCN2CCCCC2=O)C[C@@H]1c1ccccc1 217146283 FRZGXFGFXPUJDH-GOSISDBHSA-N 343.471 2.294 70 50 EEIA CCn1c(C)cc(C)c(C(=O)N(C)[C@H](COC)c2ccccn2)c1=O 217766493 XWVFXUOHTKYLHF-MRXNPFEDSA-N 343.427 2.340 70 50 EEIA CCc1nnc(CN(C)C(=O)[C@@H]2Cc3ccccc3CN2CC)o1 218280601 PEZWRXHLRAVYAU-HNNXBMFYSA-N 328.416 2.037 70 50 EEIA O=C(CC1(n2cccc2)CCOCC1)NCc1ccc2c(c1)OCO2 218347104 FQUUKSKWVRZAOS-UHFFFAOYSA-N 342.395 2.429 70 50 EEIA CC[C@H](O)c1cc2n(n1)CCCN(Cc1[nH]cc(C)c(=O)c1C)C2 217503951 QMDSKFXPFHMZEU-KRWDZBQOSA-N 330.432 2.038 70 50 EEIA O=C(Cc1cccc(Cl)c1)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1 218712720 TTWPDIUZWIJTPW-BZZMCLGOSA-N 334.847 2.250 70 50 EEIA COc1cc(F)c(NC(=O)NCC2(OC)CCOCC2)cc1F 160168441 RFYFWAOVKLCHLC-UHFFFAOYSA-N 330.331 2.291 70 50 EEIA Cc1ccc(C#N)cc1NC(=O)c1cncc(OS(=O)(=O)F)c1 1875385521 VARCMFSJADIXIP-UHFFFAOYSA-N 335.316 2.107 70 50 EEIA Cc1csc(SCC(=O)N2CCCN(c3ncccn3)CC2)n1 218357896 CAPQQOJYOIFGPM-UHFFFAOYSA-N 349.485 2.073 70 50 EEIA C[C@H](NC(=O)c1cnc2c(c1)ncn2C)c1ccc2c(c1)CCC(=O)N2 159794246 MTVJXCZMDQKACG-NSHDSACASA-N 349.394 2.344 70 50 EEIA C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc(C(F)(F)F)n1)CS2 161505231 GVORFSDWWNNPNB-OQPBUACISA-N 345.346 2.493 70 50 EEIA Cn1cnc2cc(C(=O)NC[C@@H]3COC4(CCCCCC4)O3)cnc21 161122513 ARPTWHZMEOROKF-CQSZACIVSA-N 344.415 2.164 70 50 EEIA Cc1ccc([C@@H](C)C(=O)Nc2cncc(OS(=O)(=O)F)c2)o1 1875387603 PKRKTGHQIJUPDN-SECBINFHSA-N 328.321 2.318 70 50 EEIA CC(C)(C)[C@@H]1CCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875384298 DOIWVLZNRPKQDZ-LBPRGKRZSA-N 330.381 2.325 70 50 EEIA Cc1nnc(CN2CCn3nc([C@H](O)c4ccccc4)cc3C2)s1 217090035 TZVMYAWVVLAFHE-QGZVFWFLSA-N 341.440 2.141 70 50 EEIA O=C(c1ccc(-c2ccco2)cc1)N1CCN(Cc2nnc[nH]2)CC1 217479435 GTRBWNDLDYZZJD-UHFFFAOYSA-N 337.383 2.023 70 50 EEIA Nc1ccnc(CN2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)n1 161135003 ZMFBPIJFVTXVLA-OLZOCXBDSA-N 338.333 2.386 70 50 EEIA C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 163303076 UTUQXOUKNVLHBD-MNOVXSKESA-N 335.422 2.202 70 50 EEIA CC(=O)NC1CCC(NCCCC(=O)N2CCc3ccccc32)CC1 161431121 MUOWBOLCJZBLGI-UHFFFAOYSA-N 343.471 2.393 70 50 EEIA Cc1noc(C)c1S(=O)(=O)NC(=O)[C@@H](C)OC1CCCCCC1 161088717 WXNMQDYJEMWCJB-GFCCVEGCSA-N 344.433 2.224 70 50 EEIA CC(C)c1nnc([C@@H](C)NC(=O)CN2CCOc3ccccc3C2)o1 217216657 OHXMMPLFVXICLH-CYBMUJFWSA-N 344.415 2.265 70 50 EEIA CC[C@@H](NS(=O)(=O)Cc1cc(F)ccc1Cl)C1CC(O)C1 218277796 MWOKDGSSPLGSQN-WIQPZXRYSA-N 335.828 2.448 70 50 EEIA Cn1cc(C(=O)N[C@@H]2CCCN(c3cnccn3)C2)c2ccccc21 216908883 KXAFXFHBCRIIFD-CQSZACIVSA-N 335.411 2.367 70 50 EEIA O=C(Nc1cncc(OS(=O)(=O)F)c1)[C@H]1CCc2ccccc21 1875387694 UBHDGRRSEGOPSL-AWEZNQCLSA-N 336.344 2.343 70 50 EEIA COc1ncccc1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 218269991 LOFQTASTQQIRSL-IAGOWNOFSA-N 342.395 2.194 70 50 EEIA CCNc1nc(C)c(C(=O)N[C@@H](C)c2cn3ncsc3n2)s1 218602737 WLTWRKZEQGZSSI-ZETCQYMHSA-N 336.446 2.479 70 50 EEIA CN1C[C@@H]2CC[C@H](C1)N(Cc1ccc(OCCn3ccnc3)cc1)C2 217461814 YPHFSBMCVOHOBM-RBUKOAKNSA-N 340.471 2.488 70 50 EEIA O=S(=O)(F)Oc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)cc1 1875387667 ROULYCSATVMKBL-ZDUSSCGKSA-N 339.392 2.382 70 50 EEIA C[C@@H](Cc1cccnc1)NC(=O)c1cccc(N2CCOCC2)c1 216995208 JXKPHYBQXAAAET-HNNXBMFYSA-N 325.412 2.279 70 50 EEIA O=C(N[C@@H]1COCC[C@@H]1OCC1CC1)c1ccc(-n2ccnc2)cc1 218198387 VSQUCPTUAYPETP-MSOLQXFVSA-N 341.411 2.186 70 50 EEIA O=C(N[C@H](CO)Cc1ccccc1)c1n[nH]c2c1COc1ccccc1-2 218411038 MSZQRLUYGJDUGF-AWEZNQCLSA-N 349.390 2.303 70 50 EEIA C[C@H]1CC[C@@H](C)CN1S(=O)(=O)c1ccc(S(=O)(=O)F)cc1 166210279 PHEMIYRJTLRFEH-MNOVXSKESA-N 335.422 2.154 70 50 EEIA CCn1cnnc1[C@H]1CCCN(CC(=O)N(C)Cc2ccccc2)C1 161336006 NGTACWVTXNEJKI-KRWDZBQOSA-N 341.459 2.136 70 50 EEIA O=C(c1cncc(F)c1)N1CCN(c2nc3ccccc3[nH]2)CC1 159752436 SIQDJBAAJMQBPH-UHFFFAOYSA-N 325.347 2.059 70 50 EEIA C[C@H]1CCC[C@@H](N(C)C(=O)c2cncc(OS(=O)(=O)F)c2)C1 1875385512 UUJHWIGGEBXILZ-CMPLNLGQSA-N 330.381 2.325 70 50 EEIA CC(C)[C@H]1CCCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875384300 DPGGORBLQKKLKD-CYBMUJFWSA-N 330.381 2.325 70 50 EEIA C[C@H]1CCC[C@H](C)N(C(=O)c2cncc(OS(=O)(=O)F)c2)C1 1875384150 CXQLZTMMYWQDCQ-QWRGUYRKSA-N 330.381 2.325 70 50 EEIA Cc1ccc2[nH]c([C@@H](NC(=O)Cn3nc(C)cc3N)C(C)C)nc2c1 217659746 UUCRLPQODMBZHV-KRWDZBQOSA-N 340.431 2.472 70 50 EEIA Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)F)cc2)cc1 253388083 BDDJCHMPEBNWKK-UHFFFAOYSA-N 330.358 2.421 70 50 EEIA Cn1c(C(=O)NCc2ccccc2OCC(F)(F)F)cccc1=O 160688344 CMPJNEVFVPVKQV-UHFFFAOYSA-N 340.301 2.256 70 50 EEIA CC[C@@H](C)[C@@H](CO)NC(=O)c1n[nH]c2c1CCc1cc(OC)ccc1-2 218509707 UEGYUYVFAKFYMI-BDJLRTHQSA-N 343.427 2.321 70 50 EEIA O=C(N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1cnc2ccccc2n1 218523592 SPMRTKPPQWSQOO-LXIYXOSZSA-N 334.379 2.267 70 50 EEIA O=C(NC[C@@H]1CC(=O)N(C2CCCC2)C1)c1n[nH]c2ccccc12 217424340 GVLWNZNEVPTYLE-LBPRGKRZSA-N 326.400 2.084 70 50 EEIA COc1cn(CC(=O)Nc2cccc3c2ccn3C)c(C)cc1=O 218208816 XYFQPEKMMHBRTK-UHFFFAOYSA-N 325.368 2.296 70 50 EEIA CCN1CCC[C@@H]1CNC(=O)Cn1ccc2c(NC(C)=O)cccc21 218365874 LEQDVOWENKUMNQ-OAHLLOKOSA-N 342.443 2.200 70 50 EEIA CSc1ncc(CNC(=O)C2CCN(Cc3ccco3)CC2)n1C 218357396 WRWJIKGYQQBCMU-UHFFFAOYSA-N 348.472 2.263 70 50 EEIA Cc1noc(C)c1CCCNC(=O)c1cc(=O)n(-c2ccccc2)[nH]1 218780087 CXZIAOYJRWHVRO-UHFFFAOYSA-N 340.383 2.133 70 50 EEIA COC(=O)N1CCCC[C@H]1C(=O)NCCCc1nc2ccccc2[nH]1 218588388 IZECSIQOJRWQAS-HNNXBMFYSA-N 344.415 2.233 70 50 EEIA Cc1n[nH]c([C@@H]2CCCN(C(=O)CCn3cnc4ccccc43)C2)n1 217818301 ONNFFCZBWUOCPF-CQSZACIVSA-N 338.415 2.259 70 50 EEIA O=C1CC[C@@H]2CN(Cc3ccoc3)CC[C@@H]2N1CCc1cnc[nH]1 216984799 NPMHOXOUXOZYOW-WBVHZDCISA-N 328.416 2.058 70 50 EEIA C[C@H](NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1)c1nc2ccccc2[nH]1 218511037 DUYVCLLDULUJEX-NWDGAFQWSA-N 328.416 2.387 70 50 EEIA Cc1cccc2[nH]c(CCNC(=O)c3c[nH]c(=O)c(Cl)c3)nc12 217056384 AZLHRNQPRALSFL-UHFFFAOYSA-N 330.775 2.186 70 50 EEIA Cc1ccnn1CCC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 218609027 YJEHAUIWNLEEEZ-OAHLLOKOSA-N 338.415 2.031 70 50 EEIA COc1ccnc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c1 218503428 XKZYTHRPLCANBM-SJLPKXTDSA-N 342.395 2.194 70 50 EEIA O=C(NCC1(c2cccc(Br)c2)CC1)[C@@H]1CSCN1 160050306 KYDIRQOYAIPKBD-LBPRGKRZSA-N 341.274 2.259 70 50 EEIA CCO[C@H]1CN(C(=O)CCSCc2ccc(F)cc2)C[C@@H]1O 218062151 VXSBOTWZHHOVOM-GJZGRUSLSA-N 327.421 2.057 70 50 EEIA CC(=O)c1c(C)nn(CC(=O)NC[C@@H]2OCCc3ccccc32)c1C 217085637 DPVSAWMLAQCMIU-KRWDZBQOSA-N 341.411 2.133 70 50 EEIA OCc1cc2n(n1)CCCN(Cc1cc3c(cc1Cl)OCO3)C2 216974225 LCOGOEPNQTYHHV-UHFFFAOYSA-N 335.791 2.163 70 50 EEIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc(F)c(F)c1 218341105 IYXPRIPDLPMJOI-SECBINFHSA-N 349.289 2.271 70 50 EEIA C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Oc2ccccc2Cl)C1 161257534 HEBVYTYEHAQOCL-RYUDHWBXSA-N 345.848 2.000 70 50 EEIA COc1nc2ccccc2nc1CCC(=O)NCc1c(C)n[nH]c1C 217503536 HYLXDZDILJGPAW-UHFFFAOYSA-N 339.399 2.227 70 50 EEIA COC(=O)c1ccccc1Nc1c(NCc2ccco2)c(=O)c1=O 218129431 LEEMDSXDMCLWTB-UHFFFAOYSA-N 326.308 2.018 70 50 EEIA CCN1CCC[C@H]1CNC(=O)Cn1ccc2c(NC(C)=O)cccc21 218365957 LEQDVOWENKUMNQ-HNNXBMFYSA-N 342.443 2.200 70 50 EEIA COCc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3OC)C2)o1 161051287 LMEBKVJOOKSYON-CYBMUJFWSA-N 330.384 2.443 70 50 EEIA C[Si](C)(C)c1ccc([SiH](c2ccccc2)c2ccccc2)cc1 169817100 QFUNMWYCMFHXER-UHFFFAOYSA-N 332.595 2.480 70 50 EEIA O=C(c1ccc(N2CCCC2)cc1)N1CCC[C@H](c2nnc[nH]2)C1 217950865 DJNXCNWNEKRRFC-HNNXBMFYSA-N 325.416 2.425 70 50 EEIA OC[C@@H](O)c1cc2n(n1)CCN(Cc1csc3ccccc13)C2 217204090 IMQAMNPXRKCOCU-MRXNPFEDSA-N 329.425 2.139 70 50 EEIA Cc1nc(O)nc(C)c1CCC(=O)N1CCC[C@H]1c1ccccn1 217423630 VAPUBYMLIFZLKR-INIZCTEOSA-N 326.400 2.490 70 50 EEIA C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 163303310 UTUQXOUKNVLHBD-GHMZBOCLSA-N 335.422 2.202 70 50 EEIA C[C@@H]1CCN(C(=O)c2cncc(OS(=O)(=O)F)c2)C[C@H](C)C1 1875384986 KOVIJQDEMJOMGQ-GHMZBOCLSA-N 330.381 2.183 70 50 EEIA Cc1nc(CC(C)C)cc(C(=O)N2CCC[C@H]2c2nc(C)n[nH]2)n1 217600985 CGHHJRZBLDRGNO-HNNXBMFYSA-N 328.420 2.387 70 50 EEIA CCc1nc(C)c(CNC(=O)Cn2nc(C)c(C(C)=O)c2C)s1 218033840 YLFAIQZSKYIHLP-UHFFFAOYSA-N 334.445 2.346 70 50 EEIA Cc1cc2c(c(=O)o1)[C@@H](c1cc3cccc4c3n(c1=O)CC4)CC(=O)O2 217993868 NRUSOOXEFVSQMM-CYBMUJFWSA-N 349.342 2.260 70 50 EEIA biogenic Cc1cccc(N2CCN(CC(=O)NCC[C@@H]3CCCCO3)CC2)c1 217162378 UGEMBUWAOOZOGZ-IBGZPJMESA-N 345.487 2.192 70 50 EEIA O=C(Cn1cnc2ccccc21)N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1 218754717 QKOGIIDQFWXSTC-PJIJBLCYSA-N 336.395 2.060 70 50 EEIA COc1cc(CN2CCC[C@H](N)C2)ccc1OCCN1CCCC1 217672256 JFAWVVMAMDEFPH-KRWDZBQOSA-N 333.476 2.093 70 50 EEIA CC(C)c1cc(=O)n(CC(=O)N2CCC[C@@H](C(F)(F)F)C2)cn1 160712697 WBGQEUCOCSCEPI-LLVKDONJSA-N 331.338 2.168 70 50 EEIA O=C(Cc1cc2c(cc1Cl)OCCO2)NCCc1ccncc1 217811931 AGYFFEPVKHCTBW-UHFFFAOYSA-N 332.787 2.408 70 50 EEIA Cc1nc(N[C@@H]2CCOC[C@H]2OCCN(C)C)c2ccccc2n1 218053662 AJKYRVBALIKLFW-IAGOWNOFSA-N 330.432 2.086 70 50 EEIA Cn1cc([C@@H]2CCN(C(=O)Nc3ccn(CC(F)(F)F)n3)C2)cn1 160815060 BACUGRPMMMKWCF-SNVBAGLBSA-N 342.325 2.200 70 50 EEIA CS(=O)(=O)Cc1ccc(C[C@H]2CC(=O)N(c3ccccc3)C2)nc1 218177544 XNGICYWGOWWHOM-HNNXBMFYSA-N 344.436 2.222 70 50 EEIA Cc1[nH]c2c(c1C(=O)NCc1noc([C@@H]3CCCO3)n1)C(=O)CCC2 218245482 PJXHEPLEIWBMMQ-LBPRGKRZSA-N 344.371 2.007 70 50 EEIA COC(=O)N1CCCC[C@H]1C(=O)NCc1nncn1C1CCCCC1 218446550 CNVJJLRRXKCZHG-AWEZNQCLSA-N 349.435 2.020 70 50 EEIA Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2cc(F)c(F)c(F)c2)o1 218163721 MUYGOQQLGPRAHM-MRVPVSSYSA-N 327.258 2.078 70 50 EEIA CC(C)[C@H](NC(=O)c1ccccc1)c1nnn(Cc2nccs2)n1 161359567 CRCZPKZCWZULQA-AWEZNQCLSA-N 342.428 2.305 70 50 EEIA Cc1ccc([C@H](NC(=O)CN2CCOC2=O)c2ccncc2)cc1 217028420 BFUIADSBMUTEIB-KRWDZBQOSA-N 325.368 2.048 70 50 EEIA O=C(NCc1c[nH]nc1-c1ccccc1)c1cc2c([nH]c1=O)CCC2 217670538 HHCRALMTMAHMSE-UHFFFAOYSA-N 334.379 2.184 70 50 EEIA O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1scc2c1OCCO2 218769818 UWJGBBJBZMSRGB-WDMOLILDSA-N 346.408 2.156 70 50 EEIA O=C(c1cncc(OS(=O)(=O)F)c1)N1CCC[C@H]2CCC[C@@H]21 1875383710 ADEBPNHDKNPSEE-MFKMUULPSA-N 328.365 2.079 70 50 EEIA CN(Cc1nc2c(s1)CCCC2)c1cc(C2CC(N)C2)nc(N)n1 218310294 UDFASFZFDAWBJN-UHFFFAOYSA-N 344.488 2.235 70 50 EEIA CC(C)(CCO)Nc1ccc(OS(=O)(=O)C(F)(F)F)cc1 257373324 WLOVJDATZSEYCQ-UHFFFAOYSA-N 327.324 2.488 70 50 EEIA O=C(N[C@@H]1CCOC[C@H]1OCC1CCC1)c1ccc2c(c1)CCO2 218107100 RPUKLGBJOZRZEI-SJLPKXTDSA-N 331.412 2.326 70 50 EEIA Cn1nnc(-c2ccc(OCC(=O)NC3CCCCCCC3)cc2)n1 218147943 QFHZQZIMZRTWGK-UHFFFAOYSA-N 343.431 2.485 70 50 EEIA Cc1cccn2cc(CNC(=O)CC3=CSC4=NCCCN34)nc12 217693785 CMQDBJNGIVEMCA-UHFFFAOYSA-N 341.440 2.299 70 50 EEIA CN(C)[C@@H]1[C@H]2CC[C@@H]1CN(Cc1cnc(N3CCCCC3)nc1)C2 216917006 LAVAGGJBWBGYFY-PIIMJCKOSA-N 329.492 2.239 70 50 EEIA COc1cc([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc(OC)c1OC 217971437 GTNMUYIPBYGMOJ-LLVKDONJSA-N 346.335 2.415 70 50 EEIA biogenic Cc1ccc(F)cc1NC(=O)c1cncc(OS(=O)(=O)F)c1 1875385335 RADKSNMTWFXDLY-UHFFFAOYSA-N 328.296 2.375 70 50 EEIA Cn1cc(C(N)=O)cc1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 159839468 RZUPTZAGGSQYKP-CYBMUJFWSA-N 327.384 2.156 70 50 EEIA O=C(C1CCN(Cc2ccco2)CC1)N1CCC[C@H](c2nnc[nH]2)C1 217439944 GZYQTHMHNVTYJQ-HNNXBMFYSA-N 343.431 2.016 70 50 EEIA Cc1cccc([C@@H](C(=O)N2CCC3(CCC(=O)NC3)CC2)N(C)C)c1 217666289 HLOHPWHKCXRZMJ-SFHVURJKSA-N 343.471 2.117 70 50 EEIA O=C(CN1Cc2ccccc2C1=O)NC[C@@H]1CCCN2CCCC[C@H]12 217869987 XVHLCYVSHPNGEO-MAUKXSAKSA-N 341.455 2.023 70 50 EEIA biogenic O=C(NCCc1n[nH]c(=O)[nH]1)C1(c2ccc(Cl)cc2)CCCCC1 218338595 VGHAPSSGZXGWBE-UHFFFAOYSA-N 348.834 2.312 70 50 EEIA C[C@H](O)C1CCN(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC1 161266859 MIFJUTAANRVEAD-LBPRGKRZSA-N 329.404 2.107 70 50 EEIA CC1(C)[C@@H]2CN(C(=O)CCc3ccc(S(=O)(=O)F)cc3)C[C@H]21 1351010223 HHLJFCSABHNXJP-ZIAGYGMSSA-N 325.405 2.392 70 50 EEIA C[C@@H]1CCC[C@@H](N(C)C(=O)c2cncc(OS(=O)(=O)F)c2)C1 1875385515 UUJHWIGGEBXILZ-ZYHUDNBSSA-N 330.381 2.325 70 50 EEIA CCC[C@@H](Nc1ncnc2ccccc12)C(=O)NCc1cnn(C)c1 217807457 WRYZALJPJCKAEJ-MRXNPFEDSA-N 338.415 2.260 70 50 EEIA O=C(N[C@H](CCn1cncn1)c1ccccc1)c1ccc2[nH]nnc2c1 217805367 VXJKIRSZFMSWOT-OAHLLOKOSA-N 347.382 2.111 70 50 EEIA Cc1ccc([C@H](C)C(=O)Nc2cncc(OS(=O)(=O)F)c2)o1 1875387604 PKRKTGHQIJUPDN-VIFPVBQESA-N 328.321 2.318 70 50 EEIA O=C(NC[C@H]1CC(=O)N(c2ccccc2)C1)c1ncc(F)cc1F 218010642 XOOANSVBIHIUGN-LLVKDONJSA-N 331.322 2.143 70 50 EEIA CC[C@@H](OC1CCCCC1)C(=O)NS(=O)(=O)c1cccnc1 161123015 AUNJNOXTDJGTMD-CQSZACIVSA-N 326.418 2.014 70 50 EEIA Cc1[nH]c2c(c1C(=O)NCc1noc([C@H]3CCCO3)n1)C(=O)CCC2 218245535 PJXHEPLEIWBMMQ-GFCCVEGCSA-N 344.371 2.007 70 50 EEIA C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cc2ccccc2cc1N 161220603 WEJMYXHJGHCBTR-NWDGAFQWSA-N 332.425 2.070 70 50 EEIA COc1ccc(-c2nc3c([nH]2)CCN(C(=O)c2cccc(C)n2)C3)cn1 218764774 RZRMHHSBWZNCFI-UHFFFAOYSA-N 349.394 2.382 70 50 EEIA COCc1ccc(C(=O)N[C@H]2CCN(c3ccccc3OC)C2)o1 161051378 LMEBKVJOOKSYON-ZDUSSCGKSA-N 330.384 2.443 70 50 EEIA O=C(CCN1CCCC1)N[C@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218763284 XPNIUTXCVZJRLE-LBXVMSDZSA-N 344.455 2.036 70 50 EEIA Cn1cc([C@H](NC(=O)c2cc(F)ccc2Cl)C2CC(O)C2)cn1 218550727 ICDKIENBDMSXFC-DKBDQHFASA-N 337.782 2.455 70 50 EEIA C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cccc(C(F)(F)F)n1)CS2 161504856 GVORFSDWWNNPNB-ISVAXAHUSA-N 345.346 2.493 70 50 EEIA O=C(NC1CC1)c1ccc(C(=O)N2CCC(n3cccn3)CC2)cc1 161457255 WEVJULLFHJNOFP-UHFFFAOYSA-N 338.411 2.253 70 50 EEIA CCOC(=O)C[C@H](C)NC(=O)c1cccc(OCC(F)(F)F)n1 160606781 OVXDPHWOLASPLT-VIFPVBQESA-N 334.294 2.094 70 50 EEIA CCC[C@@H](C(=O)N1CCC(c2nnc3ccccn23)CC1)N(C)C 161286765 VKDRRFITGVJIBW-HNNXBMFYSA-N 329.448 2.166 70 50 EEIA O=C(Cc1cnccn1)N1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 217632518 OEFYEQFUPQDVJI-OAHLLOKOSA-N 325.347 2.398 70 50 EEIA O=C(OCc1ccccc1)N1[C@H]2CC[C@H]1[C@H](CS(=O)(=O)F)C2 1775997235 YMRQHTGRSBXBFJ-IHRRRGAJSA-N 327.377 2.475 70 50 EEIA O=C(NC[C@H]1COCCO1)c1cccc(CN2CCCCCC2)c1 217842083 TWQYLSAAYHANLV-SFHVURJKSA-N 332.444 2.208 70 50 EEIA Cc1cc2c(c(=O)o1)[C@H](c1cc3ccccc3n(C)c1=O)CC(=O)O2 218047548 LVWGLEZQWZQPJP-LBPRGKRZSA-N 337.331 2.241 70 50 EEIA biogenic O=C(CCN1CCCCCC1=O)NCc1nc2cc(F)ccc2[nH]1 217448826 KLMAVQKVSMJITD-UHFFFAOYSA-N 332.379 2.111 70 50 EEIA COC[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)c1nc(-c2ccccc2)[nH]c1C 218068200 KTPUPYBYHZUWKK-ABFRBSLYSA-N 341.411 2.165 70 50 EEIA CCc1ncnc(N2CCCN(Cc3cnn(CC)c3)CC2)c1F 159465069 SCMGGOANRRDAKB-UHFFFAOYSA-N 332.427 2.107 70 50 EEIA CCO[C@@H]1C[C@H](O)C12CCN(C(=O)[C@H]1OCCc3ccccc31)CC2 160757789 JLJVWLZEQQDDEY-KSZLIROESA-N 345.439 2.079 70 50 EEIA COC(=O)[C@]1(CCS(=O)(=O)F)CCCc2ccccc2C1=O 883954309 HXIKIPFUXQWHPF-HNNXBMFYSA-N 328.361 2.054 70 50 EEIA COc1cncc([C@@H](NC(=O)Cc2ccsc2)[C@H]2C[C@H](O)C2)c1 218696983 VHIPEOJNBDGYTN-QEORTHHSSA-N 332.425 2.323 70 50 EEIA Cc1nn(C(C)C)c(C)c1-c1cc(C(=O)N[C@H](CO)C(C)C)[nH]n1 218350940 JPTGKPNNNQCEDV-OAHLLOKOSA-N 333.436 2.218 70 50 EEIA O=C(COc1ccc(F)c(Cl)c1)N1CCC(n2cnnc2)CC1 217986196 XSDBDHGJXWUZKQ-UHFFFAOYSA-N 338.770 2.313 70 50 EEIA O=C(CN1CC[C@@H](c2ccccc2)C1)NCc1ccc2nonc2c1 218260319 LEHIDRZEAGDYSV-MRXNPFEDSA-N 336.395 2.329 70 50 EEIA O=C(Cn1cc(-c2ccccc2)ncc1=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 218231759 VGUASAWZONSYCT-BHYGNILZSA-N 335.407 2.239 70 50 EEIA Cc1nn(C)cc1[C@@H](C)NC(=O)C1CCN(Cc2ccco2)CC1 217975642 FRDWMUIQZSLJER-CYBMUJFWSA-N 330.432 2.411 70 50 EEIA O=C(CN1CCOC1=O)NCc1cc(COc2ccccc2)cs1 217536153 KIKYAEIRWHQZKC-UHFFFAOYSA-N 346.408 2.396 70 50 EEIA CC(C)Oc1cc(N[C@@H](Cc2ccccn2)[C@H]2C[C@@H](O)C2)nc(N)n1 218743342 QPKBINLDUADFGX-QEJZJMRPSA-N 343.431 2.035 70 50 EEIA Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cc(F)c(F)c(F)c2)o1 218163758 MUYGOQQLGPRAHM-QMMMGPOBSA-N 327.258 2.078 70 50 EEIA CN(C(=O)CN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)C1CC1 161177658 HOOQEADSUUXREL-LSDHHAIUSA-N 342.361 2.434 70 50 EEIA CC[C@@H](C)[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccc(OC)cc1OC 218191727 FSGGCGVGZRFQTJ-IAQYHMDHSA-N 347.415 2.231 70 50 EEIA COCc1ncsc1C(=O)Nc1cccc(S(=O)(=O)F)c1 460090660 IARVUGPIRMQTAP-UHFFFAOYSA-N 330.362 2.200 70 50 EEIA Cc1cc(-n2cccn2)ccc1CN(C)C[C@@H](C)N1CCOCC1 218659363 HNJGWKAVOXMKOY-QGZVFWFLSA-N 328.460 2.333 70 50 EEIA O=C(F)[C@@](F)(OC(F)(F)C(F)(F)S(=O)(=O)F)C(F)(F)F 100424313 JJMSFRPBSYTEIN-UWTATZPHSA-N 346.098 2.212 70 50 EEIA Cc1cc(=O)cc(C(=O)N(C)CCc2nc3cc(F)ccc3[nH]2)o1 218772907 JNJSJHLGMCQVPF-UHFFFAOYSA-N 329.331 2.278 70 50 EEIA O=C([C@H]1CSCN1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 159507825 KCMBDJDATXWQNP-HUUCEWRRSA-N 340.876 2.275 70 50 EEIA Cc1[nH]c2ccccc2c1CC(=O)N1CC[C@]2(CN(C)C(=O)O2)C1 217727143 GGSAPKZMGNATNS-SFHVURJKSA-N 327.384 2.072 70 50 EEIA Nc1nc2c(c(C(=O)NCc3nc4c(s3)CCCC4)n1)CCCC2 218611164 FRNZRKNUVBSFFN-UHFFFAOYSA-N 343.456 2.203 70 50 EEIA COc1ccc([C@H]2CC(=O)Oc3cc(C)oc(=O)c32)c(OC)c1OC 218054810 RPARTZZGUHEFMN-LLVKDONJSA-N 346.335 2.415 70 50 EEIA biogenic CC(=O)N1CC(Nc2cccc(Sc3ncccn3)c2)=CC1=O 218477042 RGACLMFUJBJJIN-UHFFFAOYSA-N 326.381 2.312 70 50 EEIA COc1cc(Cl)ccc1C(=O)N[C@@H](c1cnn(C)c1)C1CC(O)C1 218512494 NFSNCSWNGMXBKZ-YYXKQKMLSA-N 349.818 2.324 70 50 EEIA CN(C)c1cccc(C(=O)NC2CCN(C(=O)N3CCCC3)CC2)c1 218253854 WVZVWGFOWAPCRW-UHFFFAOYSA-N 344.459 2.163 70 50 EEIA CN(C)[C@H](C(=O)NCCc1nc(C2CC2)no1)c1ccccc1F 217102369 LDMQCDCWQZCZFX-HNNXBMFYSA-N 332.379 2.048 70 50 EEIA COc1ccc(N(CCS(=O)(=O)F)Cc2ccon2)c(C)c1 1875382674 LRZFUSMNDVUELG-UHFFFAOYSA-N 328.365 2.298 70 50 EEIA CC(C)c1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccn2)no1 218083993 LVTMLVJMJXXOQA-RHSMWYFYSA-N 345.399 2.297 70 50 EEIA CN(C)S(=O)(=O)c1cccc(Cn2nc(C3CC3)nc2C2CC2)c1 161510573 FHIJXBUKQIVCNL-UHFFFAOYSA-N 346.456 2.332 70 50 EEIA C[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 163303188 UTUQXOUKNVLHBD-QWRGUYRKSA-N 335.422 2.202 70 50 EEIA NC[C@@H]1CCCN1C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 160389607 ICKZFCYSXFYIDG-ZDUSSCGKSA-N 338.333 2.454 70 50 EEIA CC(C)(C)NC(=O)COc1ccc(CN2C[C@@H]3CC[C@H](C2)[C@@H]3O)cc1 217613060 YKEZFISMFFOFPD-MNZLEMJZSA-N 346.471 2.183 70 50 EEIA Cc1n[nH]c(C)c1CNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 217051201 JHDYFDMAHJROQW-LSDHHAIUSA-N 332.448 2.072 70 50 EEIA CN(C)c1ccc(CC(=O)N[C@@H]2CCOC3(CCOCC3)C2)cc1 217503656 ARAIXOCEQOHHIE-MRXNPFEDSA-N 332.444 2.140 70 50 EEIA CCc1ncnc(NC[C@@H]2CCCN2c2cc(NC)ncn2)c1F 159894073 MHYGVSYNCQWTMD-NSHDSACASA-N 331.399 2.091 70 50 EEIA O=C(Cn1cc(-c2ccccc2)ncc1=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2 218231673 VGUASAWZONSYCT-XIRDDKMYSA-N 335.407 2.239 70 50 EEIA Cc1cc(C)cc([C@H](C)NC2CCN(CCS(C)(=O)=O)CC2)c1 159883890 MFGLXWVOKQTGRY-INIZCTEOSA-N 338.517 2.463 70 50 EEIA NC[C@@H]1CCCN1C(=O)c1[nH]nc(-c2ccccc2)c1Br 160386582 WCZWYEIXVZXNGO-NSHDSACASA-N 349.232 2.403 70 50 EEIA Cn1cc(Cl)c(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)n1 218010317 JDJBWQIJSWRXGC-HUUCEWRRSA-N 349.818 2.178 70 50 EEIA N[C@@H]1CCN(C(=O)COc2ccc(Br)cc2Cl)C1 160317014 RIJBAUNMHOPRLS-SECBINFHSA-N 333.613 2.041 70 50 EEIA CO[C@@H]1COCC[C@H]1NC(=O)c1cccnc1N(C)C1CCCCC1 218549978 YSWYUNKJNFGSAB-IAGOWNOFSA-N 347.459 2.384 70 50 EEIA COc1ccc(F)cc1[C@H](C)NC(=O)N[C@@H]1CCc2[nH]ncc2C1 161112198 BOAYHPIXQJUYBG-GXFFZTMASA-N 332.379 2.475 70 50 EEIA Cn1nc(C(=O)N[C@@H]2CCOC[C@H]2OCC2CCC2)c2ccccc21 218225760 TTXWOLPHEMHOJL-NVXWUHKLSA-N 343.427 2.277 70 50 EEIA Cn1cc([C@H](NC(=O)Cc2ccc(Cl)cc2)C2CC(O)C2)cn1 218682537 JPZNHUMFPRMTNH-MWHAMWOXSA-N 333.819 2.244 70 50 EEIA O=S(=O)(F)N1CCC(N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 1875373430 AOODDUHDUGWWHA-ONGXEEELSA-N 332.363 2.376 70 50 EEIA CCn1cnnc1[C@@H]1CCCN(CC(=O)N(C)Cc2ccccc2)C1 161335868 NGTACWVTXNEJKI-QGZVFWFLSA-N 341.459 2.136 70 50 EEIA O=C(NCCN1CCC(O)CC1)C1(c2ccccc2)CCCCC1 218748811 KWTQBOZQJWTRSZ-UHFFFAOYSA-N 330.472 2.461 70 50 EEIA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)CN1Cc2ccccc2C1 218104364 CNOPKWXBJGGURJ-RTBURBONSA-N 344.455 2.259 70 50 EEIA CN(Cc1nc2ccc(F)cc2[nH]1)C(=O)Cn1nc2ccccc2n1 218117907 GLQPGTXCHQUTOS-UHFFFAOYSA-N 338.346 2.105 70 50 EEIA O=C(NCCn1cccn1)Nc1ccnn1Cc1ccccc1F 160250064 FRTBMZKUJWJLHV-UHFFFAOYSA-N 328.351 2.089 70 50 EEIA CN(Cc1cccc2cccnc12)C(=O)CSc1nnc(N)s1 217636173 WLDGHVYXRWSLBM-UHFFFAOYSA-N 345.453 2.419 70 50 EEIA CC(C)n1ncc2c(C(=O)NC[C@H]3CCCO3)c3c(nc21)CCC3 218501008 WJLHLIQMMVPICW-GFCCVEGCSA-N 328.416 2.410 70 50 EEIA N[C@H]1C[C@H](c2nnc(CN3CCCC4(CCOCC4)C3)n2C2CC2)C1 218721870 DXJJCXNCBQWOIY-GASCZTMLSA-N 345.491 2.210 70 50 EEIA Cc1cccc2[nH]c(CNC(=O)c3nc(N)nc4c3CCCC4)nc12 218224612 XNWVEQZUJRIALU-UHFFFAOYSA-N 336.399 2.052 70 50 EEIA Cc1nc2ccccc2n1CC(=O)N[C@@H]1COCC[C@@H]1OCC1CC1 218324574 QAGNMXOQAOEWNR-AEFFLSMTSA-N 343.427 2.045 70 50 EEIA CS(=O)(=O)c1ccccc1C(=O)NCCNC1CCCCCC1 159648458 LEDUDHZKXUMWML-UHFFFAOYSA-N 338.473 2.132 70 50 EEIA C[C@H]1Oc2ccc(NC(=O)c3cccc(-n4ccnn4)c3)cc2NC1=O 160539062 RJCUZVZCACGYMR-LLVKDONJSA-N 349.350 2.239 70 50 EEIA CCO[C@H]1CN(C(=O)c2oc(COc3ccccc3)cc2C)C[C@@H]1O 218122809 KEZUYEGTDXTQBY-IRXDYDNUSA-N 345.395 2.389 70 50 EEIA CC(C)N1C[C@H](C)[C@@H](NC(=O)c2cc(=O)[nH]c3cc(F)ccc23)C1 161373934 BEFDLXHRQSFTET-ZBEGNZNMSA-N 331.391 2.126 70 50 EEIA Cn1c2ccccc2c2cc(CC(=O)NC[C@@H]3COCCO3)ccc21 217810660 YEAMGFRJDQHCRE-OAHLLOKOSA-N 338.407 2.406 70 50 EEIA Cc1cc(C(=O)N2CC[C@@H](N)C2)c2ccc(Br)cc2n1 160278886 ZVYDXIMGWCZFQT-LLVKDONJSA-N 334.217 2.479 70 50 EEIA O=C(N[C@H]1CCCN(Cc2cccnc2)C1)c1cnc2ccccc2n1 218247553 FTJQZEFVAQBAKT-INIZCTEOSA-N 347.422 2.419 70 50 EEIA COc1ccc(-n2ncc(C(=O)N[C@H](CO)CCSC)c2C)cc1 218194631 APAATUHXTLNESV-ZDUSSCGKSA-N 349.456 2.033 70 50 EEIA Cc1nc2ccc(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3N3CCCC3)cc2o1 217986994 OWKQPWAZVKGUOW-BVPBIZIASA-N 341.411 2.118 70 50 EEIA Cn1cccc1C(=O)C(=O)N(Cc1ccccc1)C[C@@H]1CCCO1 218760121 NQLJNIXILLBECW-INIZCTEOSA-N 326.396 2.416 70 50 EEIA COc1ccccc1C(=O)NCC(=O)N[C@H]1CCOC2(CCCC2)C1 161301974 XECJBLCGRJJBBR-AWEZNQCLSA-N 346.427 2.033 70 50 EEIA CCn1cnnc1[C@H]1CCCN(CC(=O)NCc2ccc(C)cc2)C1 161321041 DPEKTLYEBDZCMW-KRWDZBQOSA-N 341.459 2.102 70 50 EEIA CCCN(Cc1nc(O)c2ccc(Cl)cc2n1)S(=O)(=O)F 1875374970 MFBGOCUCJDAMEA-UHFFFAOYSA-N 333.772 2.415 70 50 EEIA O=C(NCCc1nccc(-c2ccccc2)n1)c1ccc2[nH]nnc2c1 217026561 DDZFIJUYMULWHG-UHFFFAOYSA-N 344.378 2.387 70 50 EEIA O=C(CN1C[C@@H]2CC[C@H](C1)CN2CC1CCC1)NCc1ccco1 216908925 HXDOXSOKXCDDAU-SJORKVTESA-N 331.460 2.092 70 50 EEIA O=C(COc1cccnc1)N1CCC(OCc2cccnc2)CC1 218719637 QBMWTRWGIOGIDL-UHFFFAOYSA-N 327.384 2.063 70 50 EEIA Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2ccc(OC(C)C)cc2)o1 217796928 VYGIVFBAUWYOQQ-CQSZACIVSA-N 331.368 2.448 70 50 EEIA biogenic CC(C)(C)OC(=O)N1CC=C(OS(=O)(=O)C(F)(F)F)CC1 59796855 WUBVEMGCQRSBBT-UHFFFAOYSA-N 331.312 2.377 70 50 EEIA in-vitro C[C@@H](NC(=O)CCc1ccc(-c2cccs2)o1)c1n[nH]c(=O)[nH]1 217783351 DKGDYTADSVQJMX-SECBINFHSA-N 332.385 2.230 70 50 EEIA Cc1ccc2[nH]c(C(=O)NC[C@H]3CN(C4CC4)CCO3)cc2c1C 160384669 GVIGTEWMBMXNFD-HNNXBMFYSA-N 327.428 2.378 70 50 EEIA O=C(N[C@H]1CCOC2(CCCCC2)C1)[C@H]1CCCN1C(=O)C1CC1 160739384 YDXWVZHZZFERPC-JKSUJKDBSA-N 334.460 2.386 70 50 EEIA N[C@@H](Cc1ccccc1)C(=O)N1CCC(Oc2cccnc2)CC1 218357779 DAZOTWHNSUYRNU-SFHVURJKSA-N 325.412 2.021 70 50 EEIA O=C(CNC(=O)c1ccccc1)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1 218517268 CONLYYINDSHATK-AITUJVMLSA-N 342.439 2.126 70 50 EEIA Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)[C@H](C)c1cccs1 160307137 ZHCOYWPQDHBZKR-SECBINFHSA-N 330.413 2.121 70 50 EEIA COc1ccc(Br)cc1/C=C/C(=O)N1CCC[C@H]1CN 160189123 CAZAXGLXBXHXOQ-LVDDQXARSA-N 339.233 2.421 70 50 EEIA Cc1cccc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1 159514560 VGNXJYTYKROXLV-UHFFFAOYSA-N 329.375 2.257 70 50 EEIA O=C(NCCc1nnc2ccccn12)c1ccccc1-n1cccc1 218603750 JSEYCNCBALXIGN-UHFFFAOYSA-N 331.379 2.493 70 50 EEIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CCCC[C@@H]1CCO 1875382882 VMEDCCARAHROSU-GFCCVEGCSA-N 346.380 2.049 70 50 EEIA C[C@H](CCOc1ccccc1)C(=O)N1CCC(S(=O)(=O)F)CC1 2325886022 SMKHLVRNZHFPLM-CYBMUJFWSA-N 343.420 2.382 70 50 EEIA CSc1ncc(CN2CCc3[nH]cnc3[C@H]2c2ccncc2)cn1 218600554 SOITVRXJQXENTI-MRXNPFEDSA-N 338.440 2.464 70 50 EEIA CCn1cnnc1[C@@H]1CCCN(CC(=O)NCc2ccc(C)cc2)C1 161320930 DPEKTLYEBDZCMW-QGZVFWFLSA-N 341.459 2.102 70 50 EEIA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1cnc2ccccc2n1 218522743 SPMRTKPPQWSQOO-SNUQEOBHSA-N 334.379 2.267 70 50 EEIA CC(=O)NC1CCC(Nc2cccc(N3CCCNC3=O)c2)CC1 161191069 QXNJUZJFHHYVAH-UHFFFAOYSA-N 330.432 2.466 70 50 EEIA Cc1ccc2nc(CCN3CCCn4nc(CO)cc4C3)[nH]c2c1C 217719676 ZMSLVOVESXKYSH-UHFFFAOYSA-N 339.443 2.317 70 50 EEIA Cc1ccc(C(=O)NCCCN2CCOCC2)c(Br)c1 161076388 YUYFQTZSRHYFFL-UHFFFAOYSA-N 341.249 2.210 70 50 EEIA CCC[C@H](C(=O)N1CCC(c2nnc3ccccn23)CC1)N(C)C 161286888 VKDRRFITGVJIBW-OAHLLOKOSA-N 329.448 2.166 70 50 EEIA COc1ccc(Br)cc1/C=C/C(=O)N1CCC[C@@H]1CN 160188992 CAZAXGLXBXHXOQ-WXJAXGNASA-N 339.233 2.421 70 50 EEIA CSCc1ccc(C(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCC2)o1 218030731 PHLQJKPNZHWZPW-SLBVQIDZSA-N 336.457 2.124 70 50 EEIA O=S(=O)(F)N1CCC(N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1875373428 AOODDUHDUGWWHA-KOLCDFICSA-N 332.363 2.376 70 50 EEIA O=C1CC[C@@H]2CN(Cc3ccco3)CC[C@@H]2N1CCc1cnc[nH]1 216999437 WRTUCIMMYVKHQM-PBHICJAKSA-N 328.416 2.058 70 50 EEIA COCc1nc(C)c(CNC(=O)COc2cccc(OC)c2)s1 218054111 WQPILMRXKMLPQU-UHFFFAOYSA-N 336.413 2.302 70 50 EEIA COCc1nc(CNC(=O)c2cc(C(F)(F)F)ccc2C)no1 218087280 SJGRKVXQWNSFPU-UHFFFAOYSA-N 329.278 2.473 70 50 EEIA O=C(N[C@@H]1CCCC2(CC2)C1)c1cncc(OS(=O)(=O)F)c1 1875385356 RGIWWLBRQBCMPS-LLVKDONJSA-N 328.365 2.127 70 50 EEIA COc1ccc(-n2cccn2)c(CN(C)C[C@H](C)N2CCOCC2)c1 218541737 NSPIAQSSPUQGKO-INIZCTEOSA-N 344.459 2.033 70 50 EEIA CC[C@H](C)[C@H](C(=O)N[C@H](CO)C(C)C)N1Cc2ccccc2C1=O 217772805 GRFUKDNYRJPYSX-IAOVAPTHSA-N 332.444 2.190 70 50 EEIA biogenic COc1cccc(OS(=O)(=O)C(F)(F)F)c1[Si](C)(C)C 195919523 OJVREKSBMMQLBJ-UHFFFAOYSA-N 328.384 2.469 70 50 EEIA C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H](Oc2ccccc2Cl)C1 161257649 HEBVYTYEHAQOCL-NEPJUHHUSA-N 345.848 2.000 70 50 EEIA CC(=O)N1CC(Nc2ccc(-c3nc(C(C)C)n[nH]3)cc2)=CC1=O 218605472 MHBNKPZCZCPWIF-UHFFFAOYSA-N 325.372 2.280 70 50 EEIA CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H](C)c2cccs2)CC1 159581970 GQRBZDGOYWCIMQ-GFCCVEGCSA-N 344.502 2.124 70 50 EEIA CCCCc1cc(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)[nH]n1 159939863 WDYGHALEUDYBLZ-UHFFFAOYSA-N 348.432 2.143 70 50 EEIA C[C@H]1CC(=O)CC[C@@H]1c1nc(CC(=O)NCc2ccccc2)no1 160989106 RRPPBULRTCBIRC-WFASDCNBSA-N 327.384 2.401 70 50 EEIA CCN(C)c1cc(N2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)ncn1 216720347 ZIVUQWANBVMKEN-LJQANCHMSA-N 343.475 2.304 70 50 EEIA O=C(F)[C@](F)(OC(F)(F)C(F)(F)S(=O)(=O)F)C(F)(F)F 100424310 JJMSFRPBSYTEIN-REOHCLBHSA-N 346.098 2.212 70 50 EEIA CCN1Cc2ccccc2C[C@H]1C(=O)NCCNc1ccncc1C 218618307 XVPNGFLHIOPXNJ-IBGZPJMESA-N 338.455 2.365 70 50 EEIA O=C(Cc1c(F)ccc(F)c1F)N[C@@H]1CCOC2(CCOCC2)C1 217199123 KWFCLABVUCHLMU-LLVKDONJSA-N 343.345 2.491 70 50 EEIA Cc1nc(C2CCN(C(=O)c3scc4c3OCCO4)CC2)no1 217088139 QIXSTPXCFUIYHQ-UHFFFAOYSA-N 335.385 2.231 70 50 EEIA COc1cc(CN2CCC[C@@H](N)C2)ccc1OCCN1CCCC1 217672173 JFAWVVMAMDEFPH-QGZVFWFLSA-N 333.476 2.093 70 50 EEIA CC[C@@H](O)c1cc2n(n1)CCN(C(=O)c1ccc3nc(C)oc3c1)C2 218582117 FFLCCDWJCBVFHG-MRXNPFEDSA-N 340.383 2.432 70 50 EEIA Cc1cc2c(cc1C(=O)N(C)CCCc1nccn1C)OCCO2 218005947 ZQYDNWMBRAXIOK-UHFFFAOYSA-N 329.400 2.205 70 50 EEIA O=C(NC[C@H]1CNCCO1)c1ccc2cc(Br)ccc2c1 159658650 GMTJJIUINSOFLN-OAHLLOKOSA-N 349.228 2.321 70 50 EEIA Cc1cc(F)ccc1C(=O)N1CCC(CO)(CN2CCCC2)CC1 218135015 KCJWQNRRXRQYKN-UHFFFAOYSA-N 334.435 2.445 70 50 EEIA C[C@H]1CC[C@H](C)N(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 166210377 PHEMIYRJTLRFEH-QWRGUYRKSA-N 335.422 2.154 70 50 EEIA O=C(CC(c1ccccc1)c1ccccc1)N[C@@H]1COCC[C@H]1O 218037409 LZQOBKMKWVWNNB-RTBURBONSA-N 325.408 2.475 70 50 EEIA COc1ccc(F)cc1[C@@H](C)NC(=O)N[C@H]1CCc2[nH]ncc2C1 161112540 BOAYHPIXQJUYBG-MFKMUULPSA-N 332.379 2.475 70 50 EEIA COC(=O)Cc1ccc(Br)c(S(=O)(=O)Cl)c1 2325809468 VFEOXEUAECSROQ-UHFFFAOYSA-N 327.583 2.092 70 50 EEIA CN1CCN(C)[C@@H](Cc2ncnn2-c2cccc(C(F)(F)F)c2)C1 217862879 FFCXLYANUYPQNO-AWEZNQCLSA-N 339.365 2.074 70 50 EEIA COc1cccc(C(=O)NCCC(=O)NC2Cc3ccccc3C2)c1 217702824 OCGCXRNFRKREAO-UHFFFAOYSA-N 338.407 2.099 70 50 EEIA CN(C(=O)c1cncc(OS(=O)(=O)F)c1)c1cccc(F)c1 1875384831 JBVJACHURWOBCW-UHFFFAOYSA-N 328.296 2.090 70 50 EEIA CN(C)[C@@H]1[C@@H](NC(=O)CCc2nc3ccccc3s2)[C@H]2CCO[C@H]21 218324270 WQCJOIOFCMGLDG-JZDMUPLMSA-N 345.468 2.063 70 50 EEIA COC(CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1)OC 160415764 QNKPTQWKQOWHAF-UHFFFAOYSA-N 347.242 2.370 70 50 EEIA CC[C@]1(O)CCN(C(=O)c2cc(C(F)(F)F)ccc2C)C[C@@H]1O 216787195 NTAIYASFUMWERO-ZFWWWQNUSA-N 331.334 2.362 70 50 EEIA O=C(Cn1cnc2ccccc21)N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1 218256345 QKOGIIDQFWXSTC-BIENJYKASA-N 336.395 2.060 70 50 EEIA OC[C@H](O)c1cc2n(n1)CCCN(Cc1cc3ccccc3o1)C2 218767247 MTPDJNOIHSBJSS-KRWDZBQOSA-N 327.384 2.061 70 50 EEIA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 166113170 MLEQLJDTDNVYGA-GHMZBOCLSA-N 335.422 2.011 70 50 EEIA O=C(Nc1ccn(CC(F)(F)F)n1)N1CC[C@@H](N2CCCC2)C1 160796685 KLOZOWKWVRQMJM-LLVKDONJSA-N 331.342 2.147 70 50 EEIA Cc1cnc(C(=O)N2CCC(c3nnc4n3CCCCC4)CC2)cn1 218744952 MMAGVDLGVHHXKN-UHFFFAOYSA-N 340.431 2.123 70 50 EEIA COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CC(=O)OC3(C)C)c2c1 218084598 OFXLESFQAKHEOU-AWEZNQCLSA-N 330.384 2.177 70 50 EEIA biogenic O=C(COc1cccnc1)NCc1cccc(CN2CCCC2)c1 218377138 XCMTUUOZNRTOPR-UHFFFAOYSA-N 325.412 2.373 70 50 EEIA O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@H]1CCCN1C(=O)C1CC1 160739236 YDXWVZHZZFERPC-HZPDHXFCSA-N 334.460 2.386 70 50 EEIA O=C(N[C@H](c1cnc2ccccc2c1)C1CC(O)C1)c1cnccn1 218132307 GKHUZXGXPYMMIM-RWKZGTHUSA-N 334.379 2.267 70 50 EEIA CC[C@@H]1CCC[C@H](C)N1C(=O)c1cncc(OS(=O)(=O)F)c1 1875385710 ZSIGMNDSUHZECU-CMPLNLGQSA-N 330.381 2.468 70 50 EEIA COc1cncc([C@H](NC(=O)Cc2csc(C)n2)[C@H]2C[C@H](O)C2)c1 218640961 RHYJSQDIPIWOLE-HYSWKAIVSA-N 347.440 2.026 70 50 EEIA CCCCOC(=O)c1ccc(Oc2ccc3c(c2)COB3O)nc1 195367334 BJXLLSAUQIAPDB-UHFFFAOYSA-N 327.145 2.049 70 50 EEIA O=S(=O)(F)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 1875368292 HQQCJZGLSKRGLF-SNVBAGLBSA-N 329.328 2.269 70 50 EEIA COc1cccc2ccn(CCC(=O)N[C@H](CO)CCSC)c12 218238943 DYRNFZWCAUAFJP-AWEZNQCLSA-N 336.457 2.270 70 50 EEIA O=S(=O)(F)N1CCC(N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 1875373427 AOODDUHDUGWWHA-GXSJLCMTSA-N 332.363 2.376 70 50 EEIA COc1ccc(F)cc1[C@@H](C)NC(=O)N[C@@H]1CCc2[nH]ncc2C1 161112336 BOAYHPIXQJUYBG-ZWNOBZJWSA-N 332.379 2.475 70 50 EEIA Cc1cnccc1N1CCCN(C(=O)C(=O)Nc2ccccc2)CC1 218135325 WYPVYRZYMLQHKO-UHFFFAOYSA-N 338.411 2.067 70 50 EEIA O=C(Cc1ccc(F)cc1)NC1CCN(C(=O)N2CCCC2)CC1 218407421 QCJGWJZOPUNKHT-UHFFFAOYSA-N 333.407 2.165 70 50 EEIA CSc1ccc(CC(=O)N2CCN(CC3CC3)[C@@H](CCO)C2)cc1 218214484 QRHBMXWTTJICEM-KRWDZBQOSA-N 348.512 2.256 70 50 EEIA Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)c(C)o1 218386788 REVMAMJFNXUHRZ-HUUCEWRRSA-N 336.413 2.457 70 50 EEIA C[C@@H](NC1CCN(CC(=O)N(C)C)CC1)c1cc2c(s1)CCC2 160398765 KQALYWMXPFJZAJ-CYBMUJFWSA-N 335.517 2.440 70 50 EEIA O=S(=O)(F)N1CCC[C@@H]1c1ncc(-c2ccc3c(c2)OCO3)[nH]1 1875368499 VQJBEMOEFYHSFQ-LLVKDONJSA-N 339.348 2.157 70 50 EEIA CC[C@H](O)c1cc2n(n1)CCN(C(=O)c1ccc3nc(C)oc3c1)C2 218582198 FFLCCDWJCBVFHG-INIZCTEOSA-N 340.383 2.432 70 50 EEIA Cc1cc(S(=O)(=O)N[C@H]2CCN(c3ccccn3)C2)cc(C)c1F 159380408 QDKZWWCVTXGOIU-AWEZNQCLSA-N 349.431 2.395 70 50 EEIA Cc1cc(C)n(C2CN(C(=O)CN3CC[C@H](c4ccccc4)C3)C2)n1 218348882 JYPPASFILCMGSL-SFHVURJKSA-N 338.455 2.373 70 50 EEIA Cc1nccn1CC[C@@H](NC(=O)c1cc(O)no1)c1ccccc1 217626320 KKDSWZTZMYZTKN-CQSZACIVSA-N 326.356 2.447 70 50 EEIA Cc1nccn1-c1ccccc1CNC(=O)c1cc2c([nH]c1=O)CCC2 218726718 HGQQMBODEQHCBM-UHFFFAOYSA-N 348.406 2.288 70 50 EEIA COC(=O)CC1CCN(C(=O)c2cnc3ccc(F)cc3c2O)CC1 218233163 HAXMNEPYVUVWHC-UHFFFAOYSA-N 346.358 2.495 70 50 EEIA Cc1noc([C@H]2COCCN2Cc2noc(C3CCCCC3)n2)n1 161169525 PLNARJGGZVNMIK-CYBMUJFWSA-N 333.392 2.382 70 50 EEIA Cc1cc(CC(=O)NCCc2nc(C)cc(C(F)(F)F)n2)on1 218775530 LBZCCIIOCYDYPT-UHFFFAOYSA-N 328.294 2.002 70 50 EEIA COc1cccc(C(=O)N2CCCn3nc([C@@H](C)O)cc3C2)c1C 218447869 HPMWBBOEVHYEOF-CYBMUJFWSA-N 329.400 2.300 70 50 EEIA COc1cn(CC(=O)Nc2ccc(F)c(F)c2F)c(C)cc1=O 218383878 QCZVZOLYVSAUAS-UHFFFAOYSA-N 326.274 2.221 70 50 EEIA Cn1c(CN2CCCCC2)cc(=O)c(O)c1CN1CCCCCC1 218520166 AVBDOWLHOFATER-UHFFFAOYSA-N 333.476 2.453 70 50 EEIA O=C(CN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC1CC1 161175495 STBYBLWWFQMKRU-UONOGXRCSA-N 328.334 2.092 70 50 EEIA COc1ccc(-c2n[nH]cc2CNC(=O)[C@H]2CCC[C@@H](O)C2)cc1 218732975 GPQMHIOXGBQPOR-DZGCQCFKSA-N 329.400 2.253 70 50 EEIA CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1nc2ccccc2n1C 218384345 UYYHXRQRKMPLQB-ZFWWWQNUSA-N 342.443 2.255 70 50 EEIA O=C(CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCCC1 161103598 DKROFSIEMKRILG-HUUCEWRRSA-N 342.361 2.436 70 50 EEIA O=C(CCCOCc1ccccc1)N1CCC(n2cnnc2)CC1 218015844 LKDGENLZJDHBKR-UHFFFAOYSA-N 328.416 2.439 70 50 EEIA O=C(NCCc1nnc(-c2ccccc2)o1)N1CC[C@]2(CCOC2)C1 160052738 CUWCTAGYKIYLLX-SFHVURJKSA-N 342.399 2.101 70 50 EEIA CCOC(=O)N1CCN(Cc2cc(F)ccc2-n2cccn2)CC1 218001916 LIOZOGQBTXZZOE-UHFFFAOYSA-N 332.379 2.286 70 50 EEIA Cn1cc([C@@H](NC(=O)Cc2ccc(Cl)cc2)C2CC(O)C2)cn1 218682460 JPZNHUMFPRMTNH-QOJXUVEWSA-N 333.819 2.244 70 50 EEIA COc1ncccc1N(C)S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 160036748 VSGAJTVMUMWFCC-NSHDSACASA-N 334.397 2.239 70 50 EEIA O=C(CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC1CC1 161175709 STBYBLWWFQMKRU-ZIAGYGMSSA-N 328.334 2.092 70 50 EEIA O=C(COC[C@H]1CCCCO1)NCc1ccccc1-n1ccnc1 218377918 QSGHCFLDMVBBII-MRXNPFEDSA-N 329.400 2.074 70 50 EEIA CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc(F)c(F)c1 218341181 IYXPRIPDLPMJOI-VIFPVBQESA-N 349.289 2.271 70 50 EEIA O=C(C1=Cc2ccccc2OC=C1)N1CCCn2nc(CO)cc2C1 216998178 UWXZJVLLNGCBNH-UHFFFAOYSA-N 337.379 2.097 70 50 EEIA Cc1ccn(CCC(=O)NCCCc2nc3ccccc3n2C)n1 218017115 VDTGIWLUQJNROZ-UHFFFAOYSA-N 325.416 2.217 70 50 EEIA CN(CCNc1cc(C2CC(O)C2)ncn1)CCc1ccccc1 218605503 JFMTZWXIVFXFTA-UHFFFAOYSA-N 326.444 2.301 70 50 EEIA COCCc1noc([C@@H](C)NC(=O)c2cc(F)c(F)cc2F)n1 218629428 NHFLJULWLWGIOD-SSDOTTSWSA-N 329.278 2.167 70 50 EEIA Nc1nc(CCNC(=O)[C@@H]2CCCCN2Cc2ccccc2)cs1 218366364 YZSFBYOIHGIHDR-INIZCTEOSA-N 344.484 2.439 70 50 EEIA Cc1ccc2[nH]c(C(=O)N[C@@H]3COCC[C@@H]3OCC3CC3)nc2c1 218000557 JZDMROYXDIMSCB-CVEARBPZSA-N 329.400 2.185 70 50 EEIA CC[C@H](OC1CCCCC1)C(=O)NS(=O)(=O)c1cccnc1 161122899 AUNJNOXTDJGTMD-AWEZNQCLSA-N 326.418 2.014 70 50 EEIA CCn1nc(C)c(C(=O)N2C[C@H]3CC[C@@H](C2)N(CC2CC2)C3)c1C 216972964 PTCHWJZCPNCLFU-IRXDYDNUSA-N 330.476 2.466 70 50 EEIA Cn1ncc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c1-n1cccc1 217814830 KNHRZLCAJJLOMM-DOTOQJQBSA-N 341.459 2.205 70 50 EEIA biogenic CSCC[C@@H](CO)NC(=O)c1cnc2c(F)cc(F)cc2c1O 218266146 LKIIROOCOALVJV-VIFPVBQESA-N 342.367 2.062 70 50 EEIA O=C(N[C@@H]1CCOC[C@H]1O)c1cccc(OCCc2ccccc2)c1 218411224 HGWSUWZUPBIOLM-RTBURBONSA-N 341.407 2.188 70 50 EEIA Cc1cc(C)n(CCNC(=O)Cc2ccc(F)cc2Cl)c(=O)n1 218003544 PJOWTBACKMWUCU-UHFFFAOYSA-N 337.782 2.012 70 50 EEIA CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)[C@H]1OCCc3ccccc31)CC2 160758051 JLJVWLZEQQDDEY-KURKYZTESA-N 345.439 2.079 70 50 EEIA O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cn2ccsc2n1 218750487 PXKIFCMFUKQLOI-UHIISALHSA-N 328.397 2.033 70 50 EEIA Cc1nc(O)nc(C)c1CCC(=O)N(Cc1nccs1)C1CC1 218707829 MCDICZMZUFMCCF-UHFFFAOYSA-N 332.429 2.379 70 50 EEIA Cc1cc2cc(C(=O)N3CCCn4nc(CO)cc4C3)ccc2o1 217176031 IODCAQHBOBPOLJ-UHFFFAOYSA-N 325.368 2.476 70 50 EEIA Cc1cc(=O)c(O)c([C@@H](CC(N)=O)c2ccc(OC(C)C)cc2)o1 217797010 VYGIVFBAUWYOQQ-AWEZNQCLSA-N 331.368 2.448 70 50 EEIA biogenic Cc1ccc(F)cc1CC(=O)N1CCN(CC(C)C)[C@@H](CCO)C1 218558017 VRXGVGZAOHKLOK-SFHVURJKSA-N 336.451 2.228 70 50 EEIA Cc1cc(C[C@@H](C)NC(=O)Nc2ccc([S@@](C)=O)c(F)c2)n[nH]1 161146538 CBAYISLNVVQZMY-WBNWAKSLSA-N 338.408 2.347 70 50 EEIA CC(C)c1nn(C)cc1N(CCS(=O)(=O)F)Cc1ccco1 1875382711 MWGQWUMSKZXRNA-UHFFFAOYSA-N 329.397 2.442 70 50 EEIA Cn1cc(C(=O)N2CCCO[C@H](Cn3cccn3)C2)c2ccccc21 216999182 JVFQWJSVGYMNPY-HNNXBMFYSA-N 338.411 2.306 70 50 EEIA Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H]1CCCc2sccc21 160424042 KGJNBHHUWKTXJO-CYBMUJFWSA-N 342.424 2.129 70 50 EEIA CSCC[C@@H](N)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 161084121 DMBSZIPMEPDVAH-SSDOTTSWSA-N 338.317 2.410 70 50 EEIA Cc1onc(C(=O)N[C@H](C)c2ccccc2-n2cccn2)c1CO 218530910 FGWJRFVACZUCJW-LLVKDONJSA-N 326.356 2.152 70 50 EEIA O=C(c1ccnc(OCC(F)F)c1)N1CCC[C@@H](c2ccn[nH]2)C1 160598859 BISKXQBKHHVXPR-GFCCVEGCSA-N 336.342 2.468 70 50 EEIA COC1CCC(NC(=O)CCc2ccc(S(=O)(=O)F)cc2)CC1 1338820037 SGEVYMKSAOYKDY-UHFFFAOYSA-N 343.420 2.351 70 50 EEIA COc1ccc2ncc(C(=O)Nc3n[nH]c(C(C)C)n3)c(O)c2c1 218291496 ITOQIOWWHLLUPL-UHFFFAOYSA-N 327.344 2.443 70 50 EEIA CCCc1nc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccccn2)cs1 218726818 QNXHOUZEFGBCON-TZMCWYRMSA-N 347.440 2.457 70 50 EEIA O[C@H](c1ccccc1)c1cc2n(n1)CCN(c1ncnc3[nH]ccc13)C2 217561468 LCMDYICUHFMSTG-QGZVFWFLSA-N 346.394 2.256 70 50 EEIA CC1(C)[C@@H](C(F)F)[C@H]1C(=O)Nc1cncc(OS(=O)(=O)F)c1 1875388314 WCDNLTUZCRPHPE-BDAKNGLRSA-N 338.307 2.151 70 50 EEIA COc1ccccc1N1CC[C@@H](NC(=O)c2cc(C(C)=O)cn2C)C1 161181779 RXCYEMKRZLZTCH-OAHLLOKOSA-N 341.411 2.245 70 50 EEIA Cc1ccc([C@@H](NC(=O)CN2CCOC2=O)c2ccncc2)cc1 217028380 BFUIADSBMUTEIB-QGZVFWFLSA-N 325.368 2.048 70 50 EEIA Nc1nc(CCCNC(=O)[C@H](O)c2ccccc2Cl)cs1 217480580 KEBVTLKDONQSIX-GFCCVEGCSA-N 325.821 2.161 70 50 EEIA CCCCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)NCc1c(C)n[nH]c1C 217553536 WBDXMWJZYKDXOR-CABCVRRESA-N 332.448 2.141 70 50 EEIA Cc1cc(=O)c(O)c([C@H](CC(N)=O)c2ccc(F)c(Cl)c2)o1 218367900 VPZUIRHSYRKUNX-SECBINFHSA-N 325.723 2.454 70 50 EEIA Cn1c(C(=O)Nc2cccc(Cl)c2-n2cccn2)cccc1=O 160226155 RWTZYYHWQHDKTJ-UHFFFAOYSA-N 328.759 2.477 70 50 EEIA O=C1CCCCN1CCCC(=O)N1CC(Oc2ccc(F)cc2)C1 217352370 WSZTXLXXVWVPFJ-UHFFFAOYSA-N 334.391 2.208 70 50 EEIA CNC(=O)c1ccc(N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)nn1 161191423 MSZOWQKVQIGKRU-HOCLYGCPSA-N 344.390 2.068 70 50 EEIA Cc1cn(C)nc1CN(CCS(=O)(=O)F)C[C@@H]1CC=CCC1 1875382535 FOAGINFQORATNG-CQSZACIVSA-N 329.441 2.186 70 50 EEIA NC(=O)c1ccc(NC(=O)CC2(n3cccc3)CCOCC2)cc1 218128782 WLEIQHJLZJUPIB-UHFFFAOYSA-N 327.384 2.122 70 50 EEIA CC[C@H](NS(=O)(=O)Cc1cc(F)ccc1Cl)C1CC(O)C1 218277871 MWOKDGSSPLGSQN-ASYNLNLVSA-N 335.828 2.448 70 50 EEIA COc1ncccc1N(C)S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 160036622 VSGAJTVMUMWFCC-LLVKDONJSA-N 334.397 2.239 70 50 EEIA O=C(N1CCc2ccc(S(=O)(=O)Cl)cc2C1)C(F)(F)F 100010926 SXIYEBVAQTUBOQ-UHFFFAOYSA-N 327.711 2.061 70 50 EEIA in-vitro Cc1cn2cccc(C(=O)N[C@@H](c3ccccn3)[C@H]3C[C@@H](O)C3)c2n1 218306175 OLIUXMKZCOEJMW-CKEIUWERSA-N 336.395 2.280 70 50 EEIA O=C(NCC1(c2cccc(Br)c2)CC1)[C@H]1CSCN1 160050439 KYDIRQOYAIPKBD-GFCCVEGCSA-N 341.274 2.259 70 50 EEIA Cc1[nH]c2c3ccccc3nn2c(=O)c1CCC(=O)Nc1ccccn1 218530211 LMHWRONYKCQNMZ-UHFFFAOYSA-N 347.378 2.451 70 50 EEIA CCNc1nc(C)c(C(=O)NCc2nc3ccccc3c(=O)[nH]2)s1 217012971 YYBCEZYMUVZIMP-UHFFFAOYSA-N 343.412 2.050 70 50 EEIA CCc1nn(C)c2[nH]nc(NC(=O)[C@@H]3OCCc4ccccc43)c12 160275294 PYKBFSVBYGIIMR-CQSZACIVSA-N 325.372 2.111 70 50 EEIA COc1cn(CC(=O)NCCSc2ccccc2)c(C)cc1=O 218296132 WDUWTHHJQSJHGA-UHFFFAOYSA-N 332.425 2.074 70 50 EEIA Cc1c(C)n(-c2ccc(OS(=O)(=O)F)cc2)c2ncnc(O)c12 1875374483 SKVCHASRYHBSCW-UHFFFAOYSA-N 337.332 2.336 70 50 EEIA Cn1c(CCNC(=O)COCC(F)(F)C(F)F)nc2ccccc21 217185905 UFJRQAQVTKLYKE-UHFFFAOYSA-N 347.312 2.149 70 50 EEIA OCc1cc2n(n1)CCCN(Cc1nccn1Cc1ccccc1)C2 217030250 VOFPKMKCJGCRKH-UHFFFAOYSA-N 337.427 2.026 70 50 EEIA C=Cn1nccc1CN(CCS(=O)(=O)F)Cc1ccoc1C 1875382551 FZFCOYKPUWBVRW-UHFFFAOYSA-N 327.381 2.187 70 50 EEIA CC(C)[C@@H]1CCCCN1C(=O)c1cncc(OS(=O)(=O)F)c1 1875384301 DPGGORBLQKKLKD-ZDUSSCGKSA-N 330.381 2.325 70 50 EEIA O=C(COC[C@@H]1CCCCO1)NCCCc1nc2ccccc2[nH]1 218042839 IMZNVXYBPNWSPU-AWEZNQCLSA-N 331.416 2.197 70 50 EEIA CC(C)n1ncc2c(C(=O)NC[C@@H]3CCCO3)c3c(nc21)CCC3 218500925 WJLHLIQMMVPICW-LBPRGKRZSA-N 328.416 2.410 70 50 EEIA CCc1ccc(CN2CCCn3nc([C@@H](O)CN(C)C)cc3C2)o1 218192922 ADZWEPIDZFJKGP-SFHVURJKSA-N 332.448 2.039 70 50 EEIA Cc1cc(C(F)(F)F)nc(N2CCC(S(=O)(=O)F)CC2)n1 1875368299 HUPVSTCYSFOYTP-UHFFFAOYSA-N 327.303 2.072 70 50 EEIA O=C(NC1CCN(Cc2cccnc2)CC1)c1ccn(C(F)F)n1 218224501 LJKUDXKVHFCLPY-UHFFFAOYSA-N 335.358 2.068 70 50 EEIA CNC(=O)CCCN(C)Cc1nc2cc(Br)ccc2[nH]1 161007278 UYUQDGUDKHTWLZ-UHFFFAOYSA-N 339.237 2.283 70 50 EEIA Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCn1cccn1)O2 217123587 CDPFAEJUBIELPG-IBGZPJMESA-N 343.427 2.414 70 50 EEIA O=C1CCCCN1CCCC(=O)N1CC(c2nc3ccccc3[nH]2)C1 217515761 XDUKVYAFGIFNSS-UHFFFAOYSA-N 340.427 2.281 70 50 EEIA COC[C@@H](NC(=O)Cc1c(C)[nH]c2ccccc12)c1ccnn1C 218216804 WVUZPCCVBJCMSJ-MRXNPFEDSA-N 326.400 2.256 70 50 EEIA Cc1cc(=O)c(O)c([C@@H](CC(N)=O)C2=Cc3ccccc3OC2)o1 217767961 CMPGPRZWPHHDCI-ZDUSSCGKSA-N 327.336 2.089 70 50 EEIA biogenic Cc1cn(C)nc1CN(CCS(=O)(=O)F)C[C@H]1CC=CCC1 1875382534 FOAGINFQORATNG-AWEZNQCLSA-N 329.441 2.186 70 50 EEIA COCC1=CCN(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)CC1 1875382782 RFFCJRPWFOJOFV-UHFFFAOYSA-N 344.364 2.090 70 50 EEIA O=C(CCCOc1ccccc1)N[C@@H]1CCCN(c2cnccn2)C1 218007467 HJXBGUAVSIQSMT-MRXNPFEDSA-N 340.427 2.421 70 50 EEIA CCn1c(CNC(=O)CN(C)Cc2ccncc2)nc2ccccc21 217155634 ZTIMUHZDJWKDBZ-UHFFFAOYSA-N 337.427 2.199 70 50 EEIA CCCCN(Cc1cnc2c(C)cccn12)[C@@H]1CCS(=O)(=O)C1 160778386 JOGMODKNDLTNNY-OAHLLOKOSA-N 335.473 2.432 70 50 EEIA C[C@H](O)c1cc2n(n1)CCCN(C(=O)Cn1ccc3ccccc31)C2 217757671 XFWSNRLKQJZOLA-AWEZNQCLSA-N 338.411 2.324 70 50 EEIA C[C@H](NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1)c1nc2ccccc2[nH]1 218511116 DUYVCLLDULUJEX-RYUDHWBXSA-N 328.416 2.387 70 50 EEIA CCc1nc(C)ccc1OCC(=O)N1CCC[C@H]1c1nc(C)n[nH]1 216994762 CXTFSSZXNFCHAS-AWEZNQCLSA-N 329.404 2.121 70 50 EEIA COc1ccccc1N1CC[C@@H](NC(=O)[C@@H](C)c2cccnc2)C1=O 161366084 IZDYAENPSSBYLS-DZGCQCFKSA-N 339.395 2.115 70 50 EEIA N#Cc1nc(-c2ccccc2)oc1N1CCC(S(=O)(=O)F)CC1 1857799468 DXFBDEBQTNWPPD-UHFFFAOYSA-N 335.360 2.481 70 50 EEIA CC(=O)c1c(C)[nH]c(C(=O)N2CCOC[C@H]2[C@@H]2CCCCC2=O)c1C 160649310 FAQNHAUKLGXUDM-GJZGRUSLSA-N 346.427 2.434 70 50 EEIA CC[C@H](C)C[C@H](C)NC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 160921848 YZVDWQGGLZRXNR-RWMBFGLXSA-N 342.465 2.189 70 50 EEIA COc1ccc2c(c1)C[C@H](C(=O)NCc1csc(N(C)C)n1)CO2 218608551 LPZYLAFQRGGBHQ-LBPRGKRZSA-N 347.440 2.085 70 50 EEIA Cc1nc(C)n(CCCNC(=O)C2(N3CCCC3)CCCCC2)n1 218514464 KTUBBCNBNYOIDS-UHFFFAOYSA-N 333.480 2.200 70 50 EEIA CN(C)c1ncccc1CNC(=O)N1CCO[C@H](c2ccsc2)C1 160254664 HRTDTTSUUJRURY-HNNXBMFYSA-N 346.456 2.492 70 50 EEIA Cc1cccc(OC[C@H]2CCCN(C(=O)Cn3nc(C)cc3N)C2)c1 217862298 TURLQDDVSZJFNT-INIZCTEOSA-N 342.443 2.400 70 50 EEIA Cn1cc(C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)ccc1=O 159539856 JSZFKIJFYBIIRA-YOEHRIQHSA-N 326.396 2.283 70 50 EEIA CC[C@@H](O)c1cc2n(n1)CCN(C(=O)Cc1noc3ccccc13)C2 216911340 MQVHVLTVIXFMAF-MRXNPFEDSA-N 340.383 2.053 70 50 EEIA O=C(COc1ncnc2ccccc12)N1CCC(c2cc[nH]n2)CC1 217167088 FYQIEIMMCCJUGK-UHFFFAOYSA-N 337.383 2.138 70 50 EEIA Cn1nc(CN2CCCn3nc(CO)cc3C2)c2c(Cl)cccc21 217926116 FMOJQLOPSXDNAN-UHFFFAOYSA-N 345.834 2.321 70 50 EEIA Cn1c(CCCNC(=O)c2c[nH]c(=O)c(Cl)c2)nc2ccccc21 218016136 IXLCGOSIYAFWDE-UHFFFAOYSA-N 344.802 2.278 70 50 EEIA Cn1cc([C@H](NC(=O)C(C)(C)c2ccccc2)C2CC(O)C2)cn1 218749427 VGTIKPCBCALBPL-QWFMPGPPSA-N 327.428 2.326 70 50 EEIA C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cc2ccccc2cc1N 161220353 WEJMYXHJGHCBTR-RYUDHWBXSA-N 332.425 2.070 70 50 EEIA O=C(c1ccccc1-c1ccccc1)N1CCN(Cc2nnc[nH]2)CC1 218058071 SSBHSOFAELADPJ-UHFFFAOYSA-N 347.422 2.430 70 50 EEIA CCNC(=O)N1CCC(NC(=O)CCCc2ccc(OC)cc2)CC1 218151796 SNMRUBKRQIZVLP-UHFFFAOYSA-N 347.459 2.328 70 50 EEIA C[C@@H]1CCC[C@@H](C)N(C(=O)c2cncc(OS(=O)(=O)F)c2)C1 1875384148 CXQLZTMMYWQDCQ-GHMZBOCLSA-N 330.381 2.325 70 50 EEIA CCC(=O)N1CC[C@@H](C(=O)N2CCC[C@H]2Cc2ccccc2OC)C1 161095558 BIUXXMUNWKKGOV-SJORKVTESA-N 344.455 2.487 70 50 EEIA O=C(CCC(F)(F)F)N[C@@H]1CCOC[C@H]1OCc1cscn1 218058987 SUBWSZIOYWVCQF-GHMZBOCLSA-N 338.351 2.276 70 50 EEIA C[C@@H](N)C(=O)NCCSCCOc1cccc(Br)c1 159524073 SWWWGRWMFGGBKJ-SNVBAGLBSA-N 347.278 2.025 70 50 EEIA COc1cccc(C(=O)NCC(=O)N[C@@H]2CCOC3(CCCC3)C2)c1 161399666 OZJFPUJQABCDCL-OAHLLOKOSA-N 346.427 2.033 70 50 EEIA COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccnc1 218359390 FJGVFSCVNVDUFL-ZDUSSCGKSA-N 328.324 2.339 70 50 EEIA O=C(N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1C1CCCC1)c1cc2ncccn2n1 218562024 BIASDGOHSRHNRI-IEAZIUSSSA-N 326.400 2.053 70 50 EEIA NC(=O)C[C@H]1CCCN(C(=O)Nc2cnn(Cc3ccccc3)c2)C1 160801317 RPPSWYVNXSIOFH-OAHLLOKOSA-N 341.415 2.051 70 50 EEIA CCC(=O)N1CC[C@@H](C(=O)N2CCC[C@@H]2Cc2ccccc2OC)C1 161095344 BIUXXMUNWKKGOV-IAGOWNOFSA-N 344.455 2.487 70 50 EEIA Cc1ccc([C@H](CNC(=O)NCc2cnn(C)c2C)N(C)C)cc1 161063466 BBBMIJAFSSHZSL-KRWDZBQOSA-N 329.448 2.139 70 50 EEIA c1ccc(O[C@@H]2CCOC[C@H]2NC2CSCCSC2)nc1 218559691 JRWWTPVUDSKLPJ-ZIAGYGMSSA-N 326.487 2.056 70 50 EEIA Cc1nc2ccc(C(=O)N[C@H](c3cnn(C)c3)[C@H]3C[C@@H](O)C3)cc2o1 218153939 GWSYUWAWWQCMKW-JDFRZJQESA-N 340.383 2.112 70 50 EEIA C[SiH](C)O[Si](O[SiH](C)C)(c1ccccc1)c1ccccc1 169747581 SBURHUAIGVFSSI-UHFFFAOYSA-N 332.624 2.243 70 50 EEIA Cc1c(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cnn1CC(C)C 161430331 QNZSJCWZTOIAQV-OAHLLOKOSA-N 331.420 2.475 70 50 EEIA O=C(NCCN1CCc2ccccc2C1)[C@@H](O)c1cccc(F)c1 218324073 QSSDWSQOCPFSGW-SFHVURJKSA-N 328.387 2.034 70 50 EEIA Cc1ccnn1CCC(=O)NCCCc1nc2cc(F)ccc2[nH]1 218185824 NKUBCIDMZDBHAM-UHFFFAOYSA-N 329.379 2.346 70 50 EEIA O=C(NCCN1CCc2ccccc2C1)[C@H](O)c1cccc(F)c1 218324168 QSSDWSQOCPFSGW-GOSISDBHSA-N 328.387 2.034 70 50 EEIA CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)F)c1 238850622 CBMUYNFEMVAUFG-UHFFFAOYSA-N 329.802 2.029 70 50 EEIA CC1(C)C(C)(C)C1(C)NC(=O)c1cncc(OS(=O)(=O)F)c1 1875385675 YVFVQQXOLDRZIK-UHFFFAOYSA-N 330.381 2.229 70 50 EEIA CC[C@@H](NC(=O)c1scc2c1OCCO2)c1cn2cccnc2n1 217814530 IPZJDQUIPKDRCJ-SNVBAGLBSA-N 344.396 2.443 70 50 EEIA COc1cc(OC)c([C@@H]2CC(=O)Oc3cc(C)oc(=O)c32)cc1OC 218021346 QPBAZHCJVOIQDU-NSHDSACASA-N 346.335 2.415 70 50 EEIA biogenic Cc1nc2sc([C@@H](c3ccsc3)N3CCOCC3)c(O)n2n1 218436919 NJBPFGQYYKSHOY-LLVKDONJSA-N 336.442 2.288 70 50 EEIA CC(C)CNc1c(N2CCN(c3ccc(Cl)cc3)CC2)c(=O)c1=O 218325061 UXSVIBHBMJCNJY-UHFFFAOYSA-N 347.846 2.331 70 50 EEIA Cn1cc(C(=O)NCCc2noc([C@H]3CCCO3)n2)c2ccccc21 216921888 BNPKPTYRUVZTRL-OAHLLOKOSA-N 340.383 2.385 70 50 EEIA O=S(=O)(N[C@H]1CCN(c2ccccn2)C1)c1cccc(Cl)c1 159377656 TWHHXTLPMUQCET-ZDUSSCGKSA-N 337.832 2.292 70 50 EEIA CC(C)[C@H](NC(=O)c1ccn2nnnc2c1)c1nc2ccccc2n1C 218271221 FARXDGQQTNNGKF-INIZCTEOSA-N 349.398 2.138 70 50 EEIA O=C(Cc1ccsc1)N[C@@H]1CCOC[C@H]1OCc1ccccn1 217998539 OQUUYUKLWKTHPA-HZPDHXFCSA-N 332.425 2.176 70 50 EEIA CN(C)c1ccccc1C(=O)N1CCCO[C@@H](CN2CCCCC2)C1 216986756 XTCBAMFRZPJTAN-KRWDZBQOSA-N 345.487 2.470 70 50 EEIA CSc1ccccc1C(=O)N1CCC(c2nnc(CO)n2C)CC1 217197016 YVXABWDIQMRMCH-UHFFFAOYSA-N 346.456 2.049 70 50 EEIA CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1cc(N)[nH]n1 218265616 IFZOQSGKFXZSMO-UHFFFAOYSA-N 326.360 2.013 70 50 EEIA Cc1cccc(-c2cncc(C(=O)NCCCS(=O)(=O)F)c2)c1 2325886006 GUYDKPFDUCMDJL-UHFFFAOYSA-N 336.388 2.476 70 50 EEIA C[C@@H](O)c1cc2n(n1)CCN(Cc1ccccc1Cn1cccn1)C2 217485225 CBUVRIUVEAROND-OAHLLOKOSA-N 337.427 2.197 70 50 EEIA COc1ccccc1B(c1ccccc1OC)c1ccccc1OC 169821860 KXAFPGIIPCUEHY-UHFFFAOYSA-N 332.208 2.229 70 50 EEIA CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1nc2ccccc2n1C 218384294 UYYHXRQRKMPLQB-HIFRSBDPSA-N 342.443 2.255 70 50 EEIA C[C@H]1CC[C@@H](N(CCS(=O)(=O)F)Cc2cnc3n2CCC3)C1 1875382731 OBNSFUPANBSSAE-QWHCGFSZSA-N 329.441 2.119 70 50 EEIA Cc1cc(C)nc(NCC(=O)N2CCO[C@H](c3ccccc3)C2)n1 218205808 MPQVZQMIYOCAFY-INIZCTEOSA-N 326.400 2.105 70 50 EEIA O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@@H]1CCCN1C(=O)C1CC1 160738979 YDXWVZHZZFERPC-CVEARBPZSA-N 334.460 2.386 70 50 EEIA O=C(CCc1cccnc1)NCCc1csc(-c2ncccn2)n1 218202471 FPDSDAGQFHSHKJ-UHFFFAOYSA-N 339.424 2.287 70 50 EEIA O=C(c1cccc(S(=O)(=O)F)c1)N1CCCn2ncc(C3CC3)c21 1775987974 TVICVEMAONGPHM-UHFFFAOYSA-N 349.387 2.469 70 50 EEIA NC(=O)c1cc2c(nc1C[C@@H]1CC(=O)N(c3ccccc3)C1)CCC2 218443498 BBHAFNCESCCWEC-CYBMUJFWSA-N 335.407 2.265 70 50 EEIA COCc1cccc(CN(CCS(=O)(=O)F)[C@@H](C)CC#N)c1 1875382616 JBRXZHANPUAHQO-ZDUSSCGKSA-N 328.409 2.236 70 50 EEIA Cc1cc(=O)oc2cc(OCC(=O)NCCn3cccc3)ccc12 218085683 WMJKRHZCEBBWFM-UHFFFAOYSA-N 326.352 2.098 70 50 EEIA biogenic CCc1ccc(S(=O)(=O)NC[C@@H](O)COc2cccc(C)c2)cc1 159923407 WISJEXPLWPETSJ-MRXNPFEDSA-N 349.452 2.276 70 50 EEIA CCc1nccn1CCC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 217196542 BHBAAWMMOKXLMX-CYBMUJFWSA-N 329.400 2.484 70 50 EEIA CCN1CCC[C@H]1CNC(=O)c1c(C)cc(C)n(CC2CC2)c1=O 218445469 MVHZDAXDSSXBQH-INIZCTEOSA-N 331.460 2.089 70 50 EEIA CC(C)[C@@H](NC(=O)c1ccccc1)c1nnn(Cc2nccs2)n1 161359700 CRCZPKZCWZULQA-CQSZACIVSA-N 342.428 2.305 70 50 EEIA O=C(c1cccc(N2CCOCC2)c1)N1CCC(c2cc[nH]n2)CC1 217768949 JVVAVRYLDJBAKI-UHFFFAOYSA-N 340.427 2.266 70 50 EEIA NC(=O)C[C@@H]1CCCN(C(=O)Nc2cnn(Cc3ccccc3)c2)C1 160801458 RPPSWYVNXSIOFH-HNNXBMFYSA-N 341.415 2.051 70 50 EEIA CC(C)NC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12 217855847 HDKLOOYZYTWCBI-SFHVURJKSA-N 349.390 2.326 70 50 EEIA biogenic Cc1n[nH]c([C@H]2CCCN(C(=O)CCn3cnc4ccccc43)C2)n1 217818373 ONNFFCZBWUOCPF-AWEZNQCLSA-N 338.415 2.259 70 50 EEIA Cc1ccccc1-c1noc(CCC(=O)N[C@H]2C[C@@H]3OCC[C@H]23)n1 218326743 UVOJATOFJANBET-ILXRZTDVSA-N 327.384 2.271 70 50 EEIA O=C(C[C@@H]1NC(=O)N(c2ccccc2)C1=O)N1CCc2ccccc2C1 218022237 LEUKGCDVHKWGLH-KRWDZBQOSA-N 349.390 2.086 70 50 EEIA biogenic Cc1ccc(C(=O)N2CCn3nc([C@@H](O)C4CC4)cc3C2)c(F)c1 218696178 KQKGUCWJOLHTQT-KRWDZBQOSA-N 329.375 2.430 70 50 EEIA CC(=O)NC1CCC(NCc2ccc(CN3CCCC3=O)cc2)CC1 161024730 ZGXTUTFCLUDCAR-UHFFFAOYSA-N 343.471 2.346 70 50 EEIA CC(C)NC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12 217855771 HDKLOOYZYTWCBI-GOSISDBHSA-N 349.390 2.326 70 50 EEIA biogenic C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 166210497 PHEMIYRJTLRFEH-GHMZBOCLSA-N 335.422 2.154 70 50 EEIA CC(C)(C)c1nsc(NC2CCN(C(=O)c3cnccn3)CC2)n1 159561967 FYWIVLNJVQNBAN-UHFFFAOYSA-N 346.460 2.342 70 50 EEIA O[C@H](c1cc2n(n1)CCCN(C1CSCCSC1)C2)C1CC1 218213857 KBEJDORLJXKTSP-INIZCTEOSA-N 339.530 2.381 70 50 EEIA COc1cc(NC2=CC(=O)N(C(C)=O)C2)ccc1NC(=O)C1CCC1 218554777 BMLPDWXJBZDJTA-UHFFFAOYSA-N 343.383 2.118 70 50 EEIA COC(=O)N1CCCC[C@@H]1C(=O)NCCCc1nc2ccccc2[nH]1 218588324 IZECSIQOJRWQAS-OAHLLOKOSA-N 344.415 2.233 70 50 EEIA Cc1cc(=O)c(O)c([C@H](CC(N)=O)C2=Cc3ccccc3OC2)o1 217767879 CMPGPRZWPHHDCI-CYBMUJFWSA-N 327.336 2.089 70 50 EEIA biogenic O=C(NC[C@@H]1CC(=O)N(c2ccccc2)C1)c1ncc(F)cc1F 218010554 XOOANSVBIHIUGN-NSHDSACASA-N 331.322 2.143 70 50 EEIA C=C1CCC(CNC(=O)c2cncc(OS(=O)(=O)F)c2)CC1 1875385077 MJQMYAMAJZOBPP-UHFFFAOYSA-N 328.365 2.151 70 50 EEIA COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1c(O)cc(C)oc1=O 218086394 ZMENOSBMOVAOFU-NSHDSACASA-N 334.324 2.063 70 50 EEIA biogenic COc1cc2cc(C(=O)N[C@H](CO)CCSC)[nH]c2cc1OC 217819641 ZDQNGIHGVHOXLI-NSHDSACASA-N 338.429 2.029 70 50 EEIA biogenic COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1c(O)cc(C)oc1=O 218086327 ZMENOSBMOVAOFU-LLVKDONJSA-N 334.324 2.063 70 50 EEIA biogenic CC(C)Cc1cc(-c2nnc3sc(Cn4ccnc4)nn23)n(C)n1 218287498 BXFWAQGWHOVLQV-UHFFFAOYSA-N 342.432 2.030 70 50 EEIA CCNc1nc(C)c(C(=O)N[C@H](C)c2cn3ncsc3n2)s1 218602820 WLTWRKZEQGZSSI-SSDOTTSWSA-N 336.446 2.479 70 50 EEIA C[C@@H]1Oc2ccc(NC(=O)c3cccc(-n4ccnn4)c3)cc2NC1=O 160539177 RJCUZVZCACGYMR-NSHDSACASA-N 349.350 2.239 70 50 EEIA O=C(OCc1ccccc1)N1[C@H]2CC[C@H]1[C@@H](CS(=O)(=O)F)C2 1775997236 YMRQHTGRSBXBFJ-RDBSUJKOSA-N 327.377 2.475 70 50 EEIA C[C@@H]1CC(=O)CC[C@H]1c1nc(CC(=O)NCc2ccccc2)no1 160989235 RRPPBULRTCBIRC-IUODEOHRSA-N 327.384 2.401 70 50 EEIA CC1(C)OC(=O)c2c(cccc2OS(=O)(=O)C(F)(F)F)O1 136451286 WSWXKNDYQMEEKL-UHFFFAOYSA-N 326.248 2.200 70 50 EEIA Cn1cc(C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)ccc1=O 159540000 JSZFKIJFYBIIRA-WMLDXEAASA-N 326.396 2.283 70 50 EEIA O=C(c1scc2c1OCCO2)N1CCC[C@@H](c2ccncn2)C1 217653656 OAWRYVBWKYLHBP-LLVKDONJSA-N 331.397 2.329 70 50 EEIA O=C(N[C@@H]1COCC[C@H]1O)c1ccccc1OCCc1ccccc1 218438615 PEGXPFOXMXQLBO-QZTJIDSGSA-N 341.407 2.188 70 50 EEIA Cn1c2ccccc2c2cc(CC(=O)NC[C@H]3COCCO3)ccc21 217810742 YEAMGFRJDQHCRE-HNNXBMFYSA-N 338.407 2.406 70 50 EEIA CCC(=O)N1CC[C@H](C(=O)N2CCC[C@@H]2Cc2ccccc2OC)C1 161095228 BIUXXMUNWKKGOV-DLBZAZTESA-N 344.455 2.487 70 50 EEIA O=C(CC1=CSC2=NCCCN12)N1CCC[C@@H](c2cc[nH]n2)C1 217838386 VRRNNWOWAAZOPO-GFCCVEGCSA-N 331.445 2.156 70 50 EEIA CCN(C)CC(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 218450856 XMPJQUYOGAXJEM-GSQSYGFSSA-N 327.428 2.115 70 50 EEIA Cc1ccn2c(C(=O)N(C)Cc3cccc4ncccc34)nnc2n1 217093555 BQNWZKFBKXHTMF-UHFFFAOYSA-N 332.367 2.253 70 50 EEIA COc1ccc(CCCNc2cc(C3CC(N)C3)nc(N)n2)cc1 218270460 XWNJHQCCAFICJP-UHFFFAOYSA-N 327.432 2.317 70 50 EEIA O=C(N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1)c1cnccn1 218132230 GKHUZXGXPYMMIM-LEHRNKBSSA-N 334.379 2.267 70 50 EEIA Cc1noc(CNC(=O)Nc2nnc(Cc3cccc(F)c3)s2)n1 159892250 SSLSHLRWBICOPP-UHFFFAOYSA-N 348.363 2.281 70 50 EEIA O=C(c1c[nH]c(=O)c(Cl)c1)N1CC(c2nc3ccccc3[nH]2)C1 217116775 FLCLBMJQWISWKC-UHFFFAOYSA-N 328.759 2.144 70 50 EEIA CC1(C)C[C@@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C(C)(C)O1 161151385 DXOKIHZPUSZJDZ-MRXNPFEDSA-N 346.475 2.255 70 50 EEIA CCN1CCCN(C(=O)NCc2cc(OC)nc3ccccc23)CC1 159917574 JAUDSEOZNSYUSD-UHFFFAOYSA-N 342.443 2.481 70 50 EEIA Cc1c(CNC(=O)Nc2ccnn2Cc2ccccc2F)cnn1C 160584621 DCUMAANHKBWAAG-UHFFFAOYSA-N 342.378 2.434 70 50 EEIA COc1ccc(OC)c2[nH]c(C(=O)N[C@H](CO)CCSC)cc12 217803262 DUEWFXNFAGLNPL-JTQLQIEISA-N 338.429 2.029 70 50 EEIA biogenic CN(CC(=O)NCCc1nc2ccccc2s1)Cc1ccncc1 218219163 JAPUXEBPHOWYOB-UHFFFAOYSA-N 340.452 2.482 70 50 EEIA Nc1ccnc(CN2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)n1 161135119 ZMFBPIJFVTXVLA-CHWSQXEVSA-N 338.333 2.386 70 50 EEIA O=C(c1ccc2ccccc2c1)N1CCCN(S(=O)(=O)F)CC1 1875368248 BPGZUEWVLPFYNW-UHFFFAOYSA-N 336.388 2.202 70 50 EEIA COC(=O)N[C@@H](C)C(=O)NCc1nc2cc(C(C)(C)C)ccc2o1 218450187 YCLFVIAMGRHJHH-JTQLQIEISA-N 333.388 2.486 70 50 EEIA CC(C)Nc1ccc(C(=O)N2CCC(Cn3ccnn3)CC2)cn1 159459556 MOCGAMNZKCGFKH-UHFFFAOYSA-N 328.420 2.046 70 50 EEIA Cc1cccc(OC[C@@H]2CCCN(C(=O)Cn3nc(C)cc3N)C2)c1 217862212 TURLQDDVSZJFNT-MRXNPFEDSA-N 342.443 2.400 70 50 EEIA CN(C)[C@@H](C(=O)NCCc1noc(C2CCC2)n1)c1cccc(F)c1 217077463 WDPBLURHZQCTNV-MRXNPFEDSA-N 346.406 2.438 70 50 EEIA Cn1c(CO)nnc1[C@@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 217209398 NASXAXGFHRBXKJ-CYBMUJFWSA-N 340.383 2.073 70 50 EEIA COC(=O)N1CCCC[C@@H]1C(=O)NCc1nncn1C1CCCCC1 218446479 CNVJJLRRXKCZHG-CQSZACIVSA-N 349.435 2.020 70 50 EEIA CCOC(=O)c1cc(S(=O)(=O)F)c(F)cc1Br 238851127 FFZAHDGMTMPJNP-UHFFFAOYSA-N 329.118 2.423 70 50 EEIA CCc1cc(C(=O)N[C@@H]2COCC[C@@H]2Oc2ccc(C)nc2)ccn1 218360449 ZZSXQLPUFATNBH-MSOLQXFVSA-N 341.411 2.314 70 50 EEIA O=C(N1CCc2cc(S(=O)(=O)Cl)ccc2C1)C(F)(F)F 100143332 XYIKTLMPVJQPCE-UHFFFAOYSA-N 327.711 2.061 70 50 EEIA C[C@H](O)c1cc2n(n1)CCN(Cc1ccccc1Cn1cccn1)C2 217485312 CBUVRIUVEAROND-HNNXBMFYSA-N 337.427 2.197 70 50 EEIA COc1cc(OC)c(C2=CCN(S(=O)(=O)F)CC2)c(OC)c1 1875375138 RZJYKOLHVNQJML-UHFFFAOYSA-N 331.365 2.016 70 50 EEIA CC(C)(C)c1cc(C(=O)N[C@@H]2CC[C@H](CS(=O)(=O)F)C2)on1 2325885997 AETARNINFWQSGX-VHSXEESVSA-N 332.397 2.170 70 50 EEIA Cn1cc([C@@H](NC(=O)C(C)(C)c2ccccc2)C2CC(O)C2)cn1 218749372 VGTIKPCBCALBPL-IMRCBTMISA-N 327.428 2.326 70 50 EEIA CCN1CCC[C@@H]1CNC(=O)c1c(C)cc(C)n(CC2CC2)c1=O 218445399 MVHZDAXDSSXBQH-MRXNPFEDSA-N 331.460 2.089 70 50 EEIA O=C(Cc1cccnc1)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@H](O)C1 218247932 BWWMNICYHQBGAF-FUHIMQAGSA-N 338.407 2.187 70 50 EEIA O=C(c1ccc(N2CCCC2)cc1)N1CCC[C@@H](c2nnc[nH]2)C1 217950770 DJNXCNWNEKRRFC-OAHLLOKOSA-N 325.416 2.425 70 50 EEIA O[C@H]1CN(Cc2nnc(-c3ccccc3)o2)CCN(C2CCCC2)C1 217115060 ZVEIZQNWORUTSP-KRWDZBQOSA-N 342.443 2.158 70 50 EEIA COc1ccc([C@@H](CC(N)=O)c2c(C)[nH][nH]c2=O)c2ccccc12 218230643 JEYBCFLKZSEGTG-CQSZACIVSA-N 325.368 2.181 70 50 EEIA Cn1cnc2cc(C(=O)NC[C@H]3COC4(CCCCCC4)O3)cnc21 161122629 ARPTWHZMEOROKF-AWEZNQCLSA-N 344.415 2.164 70 50 EEIA CC[C@H](O)c1cc2n(n1)CCN(Cc1cc(CN(C)C)cs1)C2 217373266 WIHBRABDEOYIOS-KRWDZBQOSA-N 334.489 2.465 70 50 EEIA Cc1cccc([C@H](C(=O)N2CCC3(CCC(=O)NC3)CC2)N(C)C)c1 217666376 HLOHPWHKCXRZMJ-GOSISDBHSA-N 343.471 2.117 70 50 EEIA O=C(COC[C@@H]1CCCCO1)NCc1ccccc1-n1ccnc1 218377857 QSGHCFLDMVBBII-INIZCTEOSA-N 329.400 2.074 70 50 EEIA CC(=O)c1c(C)[nH]c(C(=O)N2CCOC[C@@H]2[C@@H]2CCCCC2=O)c1C 160649165 FAQNHAUKLGXUDM-LSDHHAIUSA-N 346.427 2.434 70 50 EEIA COc1ccccc1N1CC[C@H](NC(=O)[C@@H](C)c2cccnc2)C1=O 161366340 IZDYAENPSSBYLS-ZFWWWQNUSA-N 339.395 2.115 70 50 EEIA CSc1ccc(CC(=O)N2CCN(CC3CC3)[C@H](CCO)C2)cc1 218214546 QRHBMXWTTJICEM-QGZVFWFLSA-N 348.512 2.256 70 50 EEIA CC(C)=CCO[C@@H]1COCC[C@H]1NC(=O)CCc1c(C)nn(C)c1C 218266036 WDYNQXFGLVZLAD-QZTJIDSGSA-N 349.475 2.226 70 50 EEIA Cc1nnc(CN2CCn3nc([C@@H](O)c4ccccc4)cc3C2)s1 217090009 TZVMYAWVVLAFHE-KRWDZBQOSA-N 341.440 2.141 70 50 EEIA O=S(=O)(F)N1CCC(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1875373429 AOODDUHDUGWWHA-MWLCHTKSSA-N 332.363 2.376 70 50 EEIA Cc1cnn(CC(=O)N2CC[C@](C)(O)[C@H](Cc3ccccc3)C2)c1 216950983 NNSKYFOPPPMDFR-MJGOQNOKSA-N 327.428 2.034 70 50 EEIA Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@H]1CCCc2sccc21 160424181 KGJNBHHUWKTXJO-ZDUSSCGKSA-N 342.424 2.129 70 50 EEIA O=C(CSc1ccccc1Cl)NCCCS(=O)(=O)F 2325886028 XOBJNQJALHTPBQ-UHFFFAOYSA-N 325.814 2.238 70 50 EEIA CSc1ncccc1C(=O)NCCc1noc([C@H]2CCCO2)n1 217598868 WPZYDQNVASWWRP-LLVKDONJSA-N 334.401 2.011 70 50 EEIA Cc1cccc(NC(=O)c2cncc(OS(=O)(=O)F)c2)c1F 1875384384 GJNGBBPSAPTOGG-UHFFFAOYSA-N 328.296 2.375 70 50 EEIA O=C(CCCn1ccnc1)N[C@H]1[C@@H]2CCO[C@@H]2[C@@H]1Cc1ccccc1 218448607 HZDIBQGKYMWVPK-HNJRGHQBSA-N 339.439 2.426 70 50 EEIA CCc1n[nH]c(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c1C 218256516 VIYVACMSCTZXNQ-IAGOWNOFSA-N 343.427 2.385 70 50 EEIA C[C@H]1CCC[C@@H](C)N(C(=O)c2cncc(OS(=O)(=O)F)c2)C1 1875384151 CXQLZTMMYWQDCQ-WDEREUQCSA-N 330.381 2.325 70 50 EEIA CN(C)CCc1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cc1 952882605 GMQSKEFNJGISLR-UHFFFAOYSA-N 339.392 2.029 70 50 EEIA CC(=O)c1c(C)nn(CC(=O)NC[C@H]2OCCc3ccccc32)c1C 217085659 DPVSAWMLAQCMIU-QGZVFWFLSA-N 341.411 2.133 70 50 EEIA Nc1ccnc(CN2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)n1 161134890 ZMFBPIJFVTXVLA-QWHCGFSZSA-N 338.333 2.386 70 50 EEIA COCc1ccc(C(=O)Nc2cncc(OS(=O)(=O)F)c2)cc1 1875387682 SPQOXNQHYHGJNI-UHFFFAOYSA-N 340.332 2.073 70 50 EEIA Cc1nc(CN2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)no1 217563686 FJTDTZMUHKEIHN-SFHVURJKSA-N 339.399 2.062 70 50 EEIA Nc1nc(CCCNC(=O)[C@@H](O)c2ccccc2Cl)cs1 217480503 KEBVTLKDONQSIX-LBPRGKRZSA-N 325.821 2.161 70 50 EEIA CSCc1ccc(C(=O)NCCc2noc([C@@H]3CCCO3)n2)o1 217382234 VCURVBFGACPXQY-LBPRGKRZSA-N 337.401 2.350 70 50 EEIA Nc1nc(CCNC(=O)[C@H]2CCCCN2Cc2ccccc2)cs1 218366420 YZSFBYOIHGIHDR-MRXNPFEDSA-N 344.484 2.439 70 50 EEIA C[C@H](O)c1cc2n(n1)CCN(C(=O)CCCOCc1ccccc1)C2 218757310 UCMQFOJKYWYLTQ-HNNXBMFYSA-N 343.427 2.276 70 50 EEIA CN(C)C(=O)c1cccc(NC(=O)N[C@H]2c3ccccc3C[C@H]2O)c1 216941927 MWLFOLMHRCOXPC-SJORKVTESA-N 339.395 2.168 70 50 EEIA Cc1[nH]c2ccccc2c1CC(=O)N1CC[C@@]2(CN(C)C(=O)O2)C1 217727076 GGSAPKZMGNATNS-GOSISDBHSA-N 327.384 2.072 70 50 EEIA COc1ccc(B(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 169821844 HHIFJGNVQGOIPS-UHFFFAOYSA-N 332.208 2.229 70 50 EEIA Cc1cc(N)n(CC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)n1 217198059 KKVKJSXHIXARAN-HNNXBMFYSA-N 338.415 2.404 70 50 EEIA CN1CC[C@@H](N(C)CCC(=O)N(C)Cc2nc3ccccc3s2)C1 217194447 UHBUUPDBVGOJEM-CQSZACIVSA-N 346.500 2.281 70 50 EEIA CN1C[C@]2(CCCN(C(=O)c3ccc(N4CCCC4)cc3)C2)OC1=O 217381945 VZMJGLHYKMTDDY-IBGZPJMESA-N 343.427 2.344 70 50 EEIA CCc1ncnc(NC[C@H]2CCCN2c2cc(NC)ncn2)c1F 159894208 MHYGVSYNCQWTMD-LLVKDONJSA-N 331.399 2.091 70 50 EEIA COc1cncc([C@H](NC(=O)Cc2ccsc2)[C@H]2C[C@H](O)C2)c1 218697064 VHIPEOJNBDGYTN-HACGYAERSA-N 332.425 2.323 70 50 EEIA CCc1nnc(CN(C)C(=O)[C@H]2Cc3ccccc3CN2CC)o1 218280663 PEZWRXHLRAVYAU-OAHLLOKOSA-N 328.416 2.037 70 50 EEIA CC(C)C[C@@H](NC(=O)c1cc(=O)c2ccccc2o1)c1ncnn1C 218137433 RPCLOVHUXZXMKG-CYBMUJFWSA-N 340.383 2.439 70 50 EEIA Cn1cccc1C(=O)C(=O)N(Cc1ccccc1)C[C@H]1CCCO1 218760167 NQLJNIXILLBECW-MRXNPFEDSA-N 326.396 2.416 70 50 EEIA Cn1cc(C(=O)N[C@H]2CCCN(c3cnccn3)C2)c2ccccc21 216908915 KXAFXFHBCRIIFD-AWEZNQCLSA-N 335.411 2.367 70 50 EEIA CC[C@@H]1[C@@H](NC(=O)CCn2c(=O)oc3ccc(C)cc32)[C@@H]2CCO[C@@H]21 218275667 XPMRSKQVGHCTHK-JGTCGTHISA-N 344.411 2.223 70 50 EEIA CCc1ncsc1C(=O)NCC1(N2CCCCC2)CCOCC1 159722792 WPBJKTLTNQYPJD-UHFFFAOYSA-N 337.489 2.470 70 50 EEIA Cc1ccc(F)c(C(=O)Nc2cncc(OS(=O)(=O)F)c2)c1 1875388322 WQFWIQLWMBYEED-UHFFFAOYSA-N 328.296 2.375 70 50 EEIA C[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 163303418 UTUQXOUKNVLHBD-WDEREUQCSA-N 335.422 2.202 70 50 EEIA COCCCn1c(C)cc(C)c(C(=O)Nc2ccc(OC)nc2)c1=O 218296786 KAPRLECREFTOFT-UHFFFAOYSA-N 345.399 2.158 70 50 EEIA CCc1cccc2c(C(C)=O)cn(CC(=O)NCCn3cccn3)c12 217114961 JWFIKWKKNJPAIP-UHFFFAOYSA-N 338.411 2.419 70 50 EEIA COC(=O)N1CCCC[C@H]1C(=O)NCc1nn(C)c2ccc(C)cc12 218502279 OLFFOECOWCOIFI-INIZCTEOSA-N 344.415 2.119 70 50 EEIA Cc1c(N(CCS(=O)(=O)F)Cc2ccc(F)cc2)cnn1C 1875382856 UJLBGYSGZXBLGB-UHFFFAOYSA-N 329.372 2.174 70 50 EEIA CN(C)c1ccc(CC(=O)N[C@H]2CCOC3(CCOCC3)C2)cc1 217503741 ARAIXOCEQOHHIE-INIZCTEOSA-N 332.444 2.140 70 50 EEIA Nc1nnc(SCC(=O)N2CCC(c3ccncc3)CC2)s1 216980665 FIIJBRSZMIVQOD-UHFFFAOYSA-N 335.458 2.014 70 50 EEIA O=C(Cn1cnc2ccccc21)N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1 218754765 QKOGIIDQFWXSTC-NJSLBKSFSA-N 336.395 2.060 70 50 EEIA O=C(CCSc1ccc2c(c1)OCCO2)N1CCc2n[nH]cc2C1 217118406 ARQOZGPBRPFCPQ-UHFFFAOYSA-N 345.424 2.248 70 50 EEIA O=C(Cc1ccc(F)cc1Cl)N1CCCn2nc(CO)cc2C1 217175717 XZAZZKJJDRVUQJ-UHFFFAOYSA-N 337.782 2.143 70 50 EEIA CSc1ncccc1C(=O)NCCc1noc([C@@H]2CCCO2)n1 217598776 WPZYDQNVASWWRP-NSHDSACASA-N 334.401 2.011 70 50 EEIA Cc1cc(CC(=O)N2CCN(c3nc4ccccc4o3)CC2)on1 217897912 MBHNWOKCMVUMAN-UHFFFAOYSA-N 326.356 2.016 70 50 EEIA CCCc1nc(C)sc1C(=O)N[C@@H](CCSC)C(=O)OC 217611882 AECXESZURUKMGH-NSHDSACASA-N 330.475 2.429 70 50 EEIA biogenic CCOc1ccc(CCNc2cc(C3CC(N)C3)nc(N)n2)cc1 218564704 VZCYGKAFQINAIK-UHFFFAOYSA-N 327.432 2.317 70 50 EEIA CCCCc1nc(CN2CCN(Cc3ccccc3)C[C@@H](O)C2)c[nH]1 217175507 GDLJTPPCQJAHJI-LJQANCHMSA-N 342.487 2.431 70 50 EEIA Cc1ccc(CCNC(=O)c2ccccc2N2CCC(=O)NC2=O)o1 217669870 DNPWBHAUMIYAIM-UHFFFAOYSA-N 341.367 2.007 70 50 EEIA Cc1c(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cnn1CC(C)C 161430220 QNZSJCWZTOIAQV-HNNXBMFYSA-N 331.420 2.475 70 50 EEIA COc1ccc(OS(=O)(=O)C(F)(F)F)c([Si](C)(C)C)c1 196314720 IPZYLSPWZUDOHB-UHFFFAOYSA-N 328.384 2.469 70 50 EEIA CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(-c2cc(OC)ccc2OC)n[nH]1 218382059 NCOJNULHMJAGIW-BDJLRTHQSA-N 347.415 2.231 70 50 EEIA Cc1cc(CN(CCS(=O)(=O)F)Cc2ccccc2)n(C)n1 1875382599 IJNYAEWKIQQYEJ-UHFFFAOYSA-N 325.409 2.030 70 50 EEIA COC(=O)[C@@]1(CCS(=O)(=O)F)CCCc2ccccc2C1=O 883954310 HXIKIPFUXQWHPF-OAHLLOKOSA-N 328.361 2.054 70 50 EEIA CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@@H](c2nccs2)C1 160943412 ZDXSNAOBENADCT-LLVKDONJSA-N 348.428 2.347 70 50 EEIA COC1(CNC(=O)N2CCC(C3CCOCC3)CC2)CCOCC1 160869790 GPHMSHKBUMJIFX-UHFFFAOYSA-N 340.464 2.030 70 50 EEIA O=C(N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1n[nH]c2ccccc12 218058146 LXLLOWDNIDCOFB-JDFRZJQESA-N 336.395 2.070 70 50 EEIA O=C(CN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCCC1 161103353 DKROFSIEMKRILG-LSDHHAIUSA-N 342.361 2.436 70 50 EEIA O=C(CCN1CCCC1)N[C@@H](c1ccc2c(c1)CCO2)C1CC(O)C1 218763245 XPNIUTXCVZJRLE-UHYCVJNDSA-N 344.455 2.036 70 50 EEIA CN(CC(=O)N1CC(c2nc3ccccc3[nH]2)C1)Cc1cccnc1 217945147 GUUHEVLGSVDJGT-UHFFFAOYSA-N 335.411 2.016 70 50 EEIA CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@H](c2nccs2)C1 160943275 ZDXSNAOBENADCT-NSHDSACASA-N 348.428 2.347 70 50 EEIA CSCC[C@H](N)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 161082645 DMBSZIPMEPDVAH-ZETCQYMHSA-N 338.317 2.410 70 50 EEIA CCN(Cc1ccccn1)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 161084525 ZQTYBYMJQOCDRI-CQSZACIVSA-N 338.411 2.277 70 50 EEIA O=C(c1cncc(OS(=O)(=O)F)c1)N1CCCCC12CCC2 1875384629 HPNYACZYESMVMS-UHFFFAOYSA-N 328.365 2.224 70 50 EEIA O=[N+]([O-])c1cc(S(=O)(=O)F)ccc1S(=O)(=O)c1ccccc1 101014051 XGROGBRWQNMCAK-UHFFFAOYSA-N 345.329 2.086 70 50 EEIA Cc1cc(C)n(CC2CC2)c(=O)c1C(=O)Nc1n[nH]c(C(C)C)n1 218485016 OGBCZLFEXUVQOD-UHFFFAOYSA-N 329.404 2.369 70 50 EEIA Cc1nc2sc([C@H](c3ccsc3)N3CCOCC3)c(O)n2n1 218436989 NJBPFGQYYKSHOY-NSHDSACASA-N 336.442 2.288 70 50 EEIA CN1CCN(c2ccc(C(=O)N[C@H]3COc4ccccc43)cc2)CC1 218765462 XAIQQDOLPCFHRR-SFHVURJKSA-N 337.423 2.302 70 50 EEIA O=C(C1CCN(Cc2ccco2)CC1)N1CCC[C@@H](c2nnc[nH]2)C1 217439855 GZYQTHMHNVTYJQ-OAHLLOKOSA-N 343.431 2.016 70 50 EEIA O=C([C@H](c1ccccc1)n1cnnn1)N1CCCC[C@H]1c1cccnc1 218073934 HLCKOEPGFMPJLQ-ROUUACIJSA-N 348.410 2.411 70 50 EEIA biogenic Cc1ccc2[nH]c([C@@H](C)NC(=O)CSc3nnc(N)s3)nc2c1 217965383 KFPJVVZLJWYENH-MRVPVSSYSA-N 348.457 2.275 70 50 EEIA C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 161257775 HEBVYTYEHAQOCL-NWDGAFQWSA-N 345.848 2.000 70 50 EEIA O=C(N[C@@H]1COCC[C@@H]1OCc1ccccc1)c1cncc(F)c1 218338325 SCSHIYFTGJFNFW-SJORKVTESA-N 330.359 2.325 70 50 EEIA O=C(c1ccc(O)c(Cl)c1)N1CCC(O)(CN2CCCC2)CC1 218780488 OGZKRWPVPGHXAY-UHFFFAOYSA-N 338.835 2.109 70 50 EEIA CC(C)c1cc(C(=O)NCCN2CCOCC2)n(-c2ccccc2)n1 218201607 ASQHPLNXMNPTPJ-UHFFFAOYSA-N 342.443 2.058 70 50 EEIA O=C([C@@H]1CSCN1)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 159507586 KCMBDJDATXWQNP-LSDHHAIUSA-N 340.876 2.275 70 50 EEIA CC(=O)c1[nH]c(C)c(C(=O)N[C@H]2CCOC[C@H]2C2CCOCC2)c1C 218304141 NFVBJIJTYYRJEH-HOTGVXAUSA-N 348.443 2.396 70 50 EEIA C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 166113048 MLEQLJDTDNVYGA-QWRGUYRKSA-N 335.422 2.011 70 50 EEIA CC(=O)Nc1cccc2c1ccn2CC(=O)NCCc1ccncc1 218294001 SIDKUVKCTYBKLG-UHFFFAOYSA-N 336.395 2.354 70 50 EEIA Cn1nnc(-c2ccc(OCC(=O)Nc3ccc4[nH]ccc4c3)cc2)n1 218337982 TZXKBKMUNXEKNN-UHFFFAOYSA-N 348.366 2.376 70 50 EEIA CC1CC(N(CCS(=O)(=O)F)Cc2ccnn2CC2CC2)C1 1875382822 SULPTBFYGFCMEF-UHFFFAOYSA-N 329.441 2.193 70 50 EEIA Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1csc3c1CCCC3)CC2 217825948 RRWUEYZTXXENCH-UHFFFAOYSA-N 343.452 2.260 70 50 EEIA Cn1cc(C(=O)NCCc2noc([C@@H]3CCCO3)n2)c2ccccc21 216921862 BNPKPTYRUVZTRL-HNNXBMFYSA-N 340.383 2.385 70 50 EEIA CC(C)c1cc(C(=O)NCc2noc(-c3ccccc3)n2)nc(N)n1 217444180 JTKTZCABYKWURH-UHFFFAOYSA-N 338.371 2.162 70 50 EEIA CCS(=O)(=O)Nc1ccc(C(=O)NC2Cc3ccccc3C2)cc1 217039791 ATZLAFYPFMHYFU-UHFFFAOYSA-N 344.436 2.345 70 50 EEIA Cc1nc(C2CCN(C(=O)COCC(F)(F)C(F)F)CC2)no1 218389039 TXGGOGSCHMYXEI-UHFFFAOYSA-N 339.289 2.001 70 50 EEIA CN1C[C@@]2(CCCN(C(=O)c3ccc(N4CCCC4)cc3)C2)OC1=O 217381855 VZMJGLHYKMTDDY-LJQANCHMSA-N 343.427 2.344 70 50 EEIA Cn1cc([C@H](NC(=O)c2coc3ccccc23)[C@H]2C[C@H](O)C2)cn1 218483695 SXNMFCCGVYRMGU-BTJLNZGRSA-N 325.368 2.408 70 50 EEIA COCCc1nc(CNC(=O)COc2ccc3ccccc3c2)no1 218221899 LFXCXEPFVMYFTK-UHFFFAOYSA-N 341.367 2.107 70 50 EEIA O=C(N[C@H]1CCOC2(CCCCC2)C1)[C@@H]1CCCN1C(=O)C1CC1 160739112 YDXWVZHZZFERPC-HOTGVXAUSA-N 334.460 2.386 70 50 EEIA O=S(=O)(Cl)c1ccc(F)c(S(=O)(=O)C(F)(F)F)c1 100068827 SYZOKHJRIIDLOQ-UHFFFAOYSA-N 326.676 2.047 70 50 EEIA in-vitro C[C@@H]1Cc2cc(C(=O)NCCCCCN3CCOCC3)ccc2O1 218549003 JQPMTFUVPRLWFY-OAHLLOKOSA-N 332.444 2.242 70 50 EEIA O=C(c1c(F)cc(F)cc1F)C1CCN(S(=O)(=O)F)CC1 1875373806 PAHHQPKZQLLKCS-UHFFFAOYSA-N 325.283 2.213 70 50 EEIA CO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 218443396 OBHMVUKLUFUTFC-QZTJIDSGSA-N 347.436 2.436 70 50 EEIA CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cccc(-c2ncn[nH]2)c1 161495998 PTMIJGGINASSTJ-SFHVURJKSA-N 349.438 2.374 70 50 EEIA Cc1noc([C@H](NC(=O)N2CCC(Cn3cccn3)CC2)C(C)C)n1 159728647 OXCZADUBGTXRNZ-OAHLLOKOSA-N 346.435 2.393 70 50 EEIA Cc1cc(C)n(CC(=O)N(C)Cc2ccc3ncccc3c2)c(=O)n1 218003143 FALTWIXECZNOMX-UHFFFAOYSA-N 336.395 2.067 70 50 EEIA Cc1nccn1-c1ccc(CNC(=O)c2c[nH]c(=O)c(Cl)c2)cc1 216934125 AZTWLMDAGPTPMF-UHFFFAOYSA-N 342.786 2.452 70 50 EEIA CSCc1ccc(C(=O)N2CCCO[C@@H](Cn3cccn3)C2)o1 217371203 DIROKQGBRBRZFC-CQSZACIVSA-N 335.429 2.270 70 50 EEIA Cc1n[nH]c(C)c1CCC(=O)Nc1n[nH]c(Cc2ccc(F)cc2)n1 218544263 UYXWVCASKNUEBB-UHFFFAOYSA-N 342.378 2.446 70 50 EEIA CCO[C@H]1C[C@H](n2cc(-c3ccc(S(=O)(=O)F)cc3)nn2)C1 1875367229 ABIASJKJQIMXMA-HAQNSBGRSA-N 325.365 2.343 70 50 EEIA O=C(c1cccn1C1CC1)N1CCC(CO)(CN2CCCC2)CC1 218365764 OURSVLQYGDLKTP-UHFFFAOYSA-N 331.460 2.134 70 50 EEIA OCc1cc2n(n1)CCN(c1ncc(C(F)(F)F)cc1Cl)C2 217772357 UWIXWJHRCMSXBL-UHFFFAOYSA-N 332.713 2.463 70 50 EEIA CSc1ncccc1C(=O)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCCC1 218225381 LSUFQWBHQCDKRJ-SLBVQIDZSA-N 347.484 2.175 70 50 EEIA CN1CCN(C(=O)CCCN2CCCCC2=O)C[C@H]1c1ccccc1 217146294 FRZGXFGFXPUJDH-SFHVURJKSA-N 343.471 2.294 70 50 EEIA Cn1nc(C2CC2)nc1/C(C#N)=C/c1cccc(S(=O)(=O)F)c1 1875381452 VRGYWOWKBCFCQS-KPKJPENVSA-N 332.360 2.415 70 50 EEIA Cc1ccc(OCCN(C)c2cc(C3CC(N)C3)nc(N)n2)cc1 218541552 LYKOMUDWEGXGQK-UHFFFAOYSA-N 327.432 2.087 70 50 EEIA CC[C@H](NC(=O)CN1CCc2ccccc2C1)c1cn2cccnc2n1 217163917 SPZFCPSOGHAMOM-KRWDZBQOSA-N 349.438 2.355 70 50 EEIA CSCC(=O)N1CCCn2nc([C@H](O)c3ccccc3)cc2C1 218524995 HVYCJYRBTRTICJ-QGZVFWFLSA-N 331.441 2.060 70 50 EEIA Cn1c(CO)nnc1[C@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 217209404 NASXAXGFHRBXKJ-ZDUSSCGKSA-N 340.383 2.073 70 50 EEIA CCOc1cccc(OCCN2CCCn3nc(CO)cc3C2)c1 217206850 CSWZZDUOAJDTEO-UHFFFAOYSA-N 331.416 2.059 70 50 EEIA Cn1c([C@H]2CCCN(C(=O)CN3CCCC3)C2)nc2ccccc21 217627150 VZFICAKCXLXZPU-HNNXBMFYSA-N 326.444 2.375 70 50 EEIA O=C(c1cc(-c2ccsc2)n[nH]1)N1CCC(c2nnc[nH]2)CC1 217880116 MRTDYWVKIQZOAI-UHFFFAOYSA-N 328.401 2.276 70 50 EEIA O=C(CN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CC1 161175380 STBYBLWWFQMKRU-KBPBESRZSA-N 328.334 2.092 70 50 EEIA COc1ccc(C(C)C)cc1S(=O)(=O)N[C@@H]1C[C@@H]2OCC[C@@H]21 217924124 NDYRQAYUKYVNMK-NFAWXSAZSA-N 325.430 2.274 70 50 EEIA O=C(N[C@H](CO)Cc1ccccc1)c1cc(-c2ccsc2)[nH]n1 218216878 OVDRRRBWUWHRSU-AWEZNQCLSA-N 327.409 2.472 70 50 EEIA C[C@@](O)(CNc1ccnc2c(F)cc(F)cc12)CN1CCOCC1 159638822 LNGAMSJDFDCSRO-QGZVFWFLSA-N 337.370 2.008 70 50 EEIA O=C1c2cccc3cccc(c23)C(=O)N1OS(=O)(=O)C(F)(F)F 100034340 LWHOMMCIJIJIGV-UHFFFAOYSA-N 345.254 2.217 70 50 EEIA in-vitro O=C(N[C@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1)c1n[nH]c2ccccc12 218058212 LXLLOWDNIDCOFB-SUYBPPKGSA-N 336.395 2.070 70 50 EEIA OC1CC(c2cc(N3CCN(CCc4ccccc4)CC3)ncn2)C1 218639538 PWSHQKBFXANIQV-UHFFFAOYSA-N 338.455 2.080 70 50 EEIA CC[C@H](NC(=O)c1scc2c1OCCO2)c1cn2cccnc2n1 217814612 IPZJDQUIPKDRCJ-JTQLQIEISA-N 344.396 2.443 70 50 EEIA CCc1nccn1CCC(=O)NCCCn1ncc2ccccc21 218326639 LKGLHLMIQOLIKC-UHFFFAOYSA-N 325.416 2.392 70 50 EEIA Cn1cc([C@@H](NC(=O)c2cc(F)ccc2Cl)C2CC(O)C2)cn1 218550666 ICDKIENBDMSXFC-CQWGXMFFSA-N 337.782 2.455 70 50 EEIA Cc1cc(C[C@H](C)NC(=O)Nc2ccc([S@](C)=O)c(F)c2)n[nH]1 161146418 CBAYISLNVVQZMY-YGWIHHTISA-N 338.408 2.347 70 50 EEIA C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cccc(C(F)(F)F)n1)CS2 161505104 GVORFSDWWNNPNB-AMIZOPFISA-N 345.346 2.493 70 50 EEIA COc1ccccc1N1CC[C@H](NC(=O)[C@H](C)c2cccnc2)C1=O 161366478 IZDYAENPSSBYLS-HIFRSBDPSA-N 339.395 2.115 70 50 EEIA Cc1noc(C)c1S(=O)(=O)NC(=O)[C@H](C)OC1CCCCCC1 161088852 WXNMQDYJEMWCJB-LBPRGKRZSA-N 344.433 2.224 70 50 EEIA CNC[C@H]1CCCN1C(=O)COc1ccc(Br)cc1 161182348 MKEGBOWRMNNAPE-GFCCVEGCSA-N 327.222 2.038 70 50 EEIA CCc1nc(CC(=O)Nc2ncc(S(=O)(=O)F)s2)cs1 953023091 XQFNWYQAVOPMPX-UHFFFAOYSA-N 335.407 2.001 70 50 EEIA COC(=O)N[C@H](C)C(=O)NCc1nc2cc(C(C)(C)C)ccc2o1 218450266 YCLFVIAMGRHJHH-SNVBAGLBSA-N 333.388 2.486 70 50 EEIA CCc1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)[nH]1 218020728 IOTMSHALYGCTMK-UHFFFAOYSA-N 327.428 2.414 70 50 EEIA NC(=O)c1cc2c(nc1C[C@H]1CC(=O)N(c3ccccc3)C1)CCC2 218443580 BBHAFNCESCCWEC-ZDUSSCGKSA-N 335.407 2.265 70 50 EEIA Cc1ccnc(SCC(=O)NCCCn2ncc3ccccc32)n1 218120218 IZTARZVPLHFMSJ-UHFFFAOYSA-N 341.440 2.433 70 50 EEIA O=C(N[C@@H]1CCOC[C@H]1OCC1CCC1)c1cccc2c1OCCO2 218623632 HWWJVTKFXMJZIP-NVXWUHKLSA-N 347.411 2.162 70 50 EEIA Cc1nc2sc([C@@H](c3ccsc3)N3CCN(C)CC3)c(O)n2n1 218501706 VSBYNKPUQBJFIS-GFCCVEGCSA-N 349.485 2.203 70 50 EEIA COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccnc1 218359303 FJGVFSCVNVDUFL-CYBMUJFWSA-N 328.324 2.339 70 50 EEIA Cc1cc(C(=O)NCC2(c3ccccc3)CCN(C)CC2)nc(C)n1 218341025 YNPUOSVWHCDJMM-UHFFFAOYSA-N 338.455 2.487 70 50 EEIA O=C(c1c[nH]nc1C1CCCCC1)N1CCCn2nc(CO)cc2C1 217728066 NMLNIZBJENCQPY-UHFFFAOYSA-N 343.431 2.192 70 50 EEIA CCN1Cc2ccccc2C[C@@H]1C(=O)NCCNc1ccncc1C 218618230 XVPNGFLHIOPXNJ-LJQANCHMSA-N 338.455 2.365 70 50 EEIA Cc1ccc(S(=O)(=O)NC(=O)[C@H]2OCCc3ccccc32)c(F)c1 161055752 DSTXASFVMQCTLJ-INIZCTEOSA-N 349.383 2.253 70 50 EEIA Cc1cccc(N2CCN(CC(=O)NCC[C@H]3CCCCO3)CC2)c1 217162385 UGEMBUWAOOZOGZ-LJQANCHMSA-N 345.487 2.192 70 50 EEIA CSCc1ccc(C(=O)N[C@@H](c2cnn(C)c2)C2CC(O)C2)o1 218230703 MFBWXYLSRLEVEK-MBRGGSNBSA-N 335.429 2.118 70 50 EEIA C[C@@H](NC(=O)c1cnc2c(c1)ncn2C)c1ccc2c(c1)CCC(=O)N2 159794353 MTVJXCZMDQKACG-LLVKDONJSA-N 349.394 2.344 70 50 EEIA CNc1cc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3[C@@H]2Cc2ccccc2)ccn1 218243039 KPGYZNINDNABQX-NBMJBFSESA-N 337.423 2.499 70 50 EEIA O=C(c1ccnc(OCC(F)F)c1)N1CCC[C@H](c2ccn[nH]2)C1 160598733 BISKXQBKHHVXPR-LBPRGKRZSA-N 336.342 2.468 70 50 EEIA COc1ccc([C@@H]2CC(=O)Oc3cc(C)oc(=O)c32)c(OC)c1OC 218054740 RPARTZZGUHEFMN-NSHDSACASA-N 346.335 2.415 70 50 EEIA biogenic COC[C@H](NC(=O)Cc1c(C)[nH]c2ccccc12)c1ccnn1C 218216896 WVUZPCCVBJCMSJ-INIZCTEOSA-N 326.400 2.256 70 50 EEIA O[C@@H](c1cc2n(n1)CCCN(C1CSCCSC1)C2)C1CC1 218213767 KBEJDORLJXKTSP-MRXNPFEDSA-N 339.530 2.381 70 50 EEIA CNC[C@@H]1CCCN1C(=O)COc1ccc(Br)cc1 161182252 MKEGBOWRMNNAPE-LBPRGKRZSA-N 327.222 2.038 70 50 EEIA O=C(c1ccc(Cl)s1)N1CCN(c2ccc3nccn3n2)CC1 216918901 LLZPEBMFSFSAJG-UHFFFAOYSA-N 347.831 2.407 70 50 EEIA Cc1ccc2ncc(C(=O)NCCNC3CCCCCC3)c(=O)n2c1 159622174 GMXJRKNLZBXIMI-UHFFFAOYSA-N 342.443 2.045 70 50 EEIA COC(=O)c1csc(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)c1 161078774 WJFOAGQEFOYFTI-JTQLQIEISA-N 334.401 2.290 70 50 EEIA Cc1ncc(CN(CCS(=O)(=O)F)[C@@H]2CC[C@@H](C)C2)c(C)n1 1875382866 UWDWZWGRYUNXOG-IAQYHMDHSA-N 329.441 2.383 70 50 EEIA Cc1cc(=O)c(O)c(CN2CCC(c3nnc4ccccn34)CC2)o1 218425570 CWZDTRSLYGWZMU-UHFFFAOYSA-N 340.383 2.076 70 50 EEIA O=C(Nc1ccc(F)c(Cl)c1)C1CCN(S(=O)(=O)F)CC1 1875374078 ZQXDCVMVLLDHKK-UHFFFAOYSA-N 338.763 2.344 70 50 EEIA Cc1noc(C)c1C(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 218764436 ZPPXJHOOKWTREU-HZPDHXFCSA-N 330.384 2.396 70 50 EEIA CCCc1nc(CNC(=O)c2nc(=O)[nH]c3ccccc23)cs1 218624696 FYGYRTITJBCHBF-UHFFFAOYSA-N 328.397 2.262 70 50 EEIA CC(C)c1cc(=O)n(CC(=O)N2CCC[C@H](C(F)(F)F)C2)cn1 160712564 WBGQEUCOCSCEPI-NSHDSACASA-N 331.338 2.168 70 50 EEIA Cc1nc(N)sc1C(=O)N(C)Cc1nc(-c2ccccc2)no1 217041029 PPQRYFMJVARLAF-UHFFFAOYSA-N 329.385 2.356 70 50 EEIA COCc1ccc(CN(CCS(=O)(=O)F)CC(F)F)cc1 1875382906 WXFOFUBGKQLKBQ-UHFFFAOYSA-N 325.352 2.199 70 50 EEIA Cc1cc(=O)cc(C(=O)NC2CCN(CCc3ccccc3)CC2)o1 218743822 MJVNIEQHQTYXES-UHFFFAOYSA-N 340.423 2.385 70 50 EEIA COCc1nc2n(n1)C[C@@H](NC(=O)Nc1c(C)cc(C)cc1C)CC2 160863755 HVDKZIDORTWTCX-AWEZNQCLSA-N 343.431 2.486 70 50 EEIA Cc1ccc(C(F)(F)F)cc1C(=O)NCCN1CCC(O)CC1 218263396 DAWAFEIAOOXIAG-UHFFFAOYSA-N 330.350 2.200 70 50 EEIA Cc1cc(C)nc(NCC(=O)N2CCO[C@@H](c3ccccc3)C2)n1 218205888 MPQVZQMIYOCAFY-MRXNPFEDSA-N 326.400 2.105 70 50 EEIA Cc1cc(C[C@H](C)NC(=O)Nc2ccc([S@@](C)=O)c(F)c2)n[nH]1 161146636 CBAYISLNVVQZMY-KLVQOETNSA-N 338.408 2.347 70 50 EEIA Cc1ccc(CN(CCS(=O)(=O)F)Cc2ccnn2C)cc1 1875382973 ZZBFKULHEHNQFL-UHFFFAOYSA-N 325.409 2.030 70 50 EEIA O=C(OCc1ccccc1)N1CCC2(CC1)CCN2S(=O)(=O)F 1875368551 ZZHIKDHKZDGATC-UHFFFAOYSA-N 342.392 2.078 70 50 EEIA CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)CCc1c(C)nn(C)c1C 218604531 WFYOKHZPCOMETJ-MSOLQXFVSA-N 349.475 2.226 70 50 EEIA C[C@@H]1CC[C@H](N(CCS(=O)(=O)F)Cc2cnc3n2CCC3)C1 1875382730 OBNSFUPANBSSAE-OLZOCXBDSA-N 329.441 2.119 70 50 EEIA COC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1c(O)cc(C)oc1=O 218030094 SZBYGNNHLYMQKY-LBPRGKRZSA-N 346.335 2.120 70 50 EEIA biogenic COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)cc1 490538184 XSENQDSZMGTEKV-UHFFFAOYSA-N 345.373 2.154 70 50 EEIA O=C(COS(=O)(=O)C(F)(F)F)c1ccc(Br)cc1 71788589 YMYKWFCLILHEJB-UHFFFAOYSA-N 347.108 2.498 70 50 EEIA in-vitro c1ccc(CO[C@H]2CCOC[C@H]2Nc2ncnc3[nH]cnc23)cc1 217996716 GNRAWFHVKWLADN-KGLIPLIRSA-N 325.372 2.139 70 50 EEIA CCN(CCc1nc2cc(F)ccc2[nH]1)C(=O)c1cc(CO)ccn1 218161424 QVQBHFCBNTUNDZ-UHFFFAOYSA-N 342.374 2.294 70 50 EEIA O=C(NCCCN1CCOCC1)c1cnc2c(Cl)cccc2c1O 218293895 PARFMXKDZDMULQ-UHFFFAOYSA-N 349.818 2.046 70 50 EEIA O=C(N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1)c1ccc(F)cc1 218291099 WLIYETMFDRRSDA-QZTJIDSGSA-N 345.370 2.284 70 50 EEIA COc1cn(CC(=O)Nc2ccc(C(F)(F)F)nc2)c(C)cc1=O 218268618 ZMDLFERFMATCOE-UHFFFAOYSA-N 341.289 2.218 70 50 EEIA C[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 166210613 PHEMIYRJTLRFEH-WDEREUQCSA-N 335.422 2.154 70 50 EEIA O=C(c1ccn(C(F)F)n1)N1CCC[C@@H](OCc2ccccn2)C1 218758375 WSZANFYRESYRHN-CYBMUJFWSA-N 336.342 2.495 70 50 EEIA CCc1nc(C)ccc1OCC(=O)N[C@@H]1CCOC2(CCOCC2)C1 217201789 UBOKTHJHFXFCDZ-OAHLLOKOSA-N 348.443 2.176 70 50 EEIA O=C(CCCN1Cc2ccccc2C1)NCc1cnn2cccnc12 217531703 KQBFVUSZZQEOOS-UHFFFAOYSA-N 335.411 2.142 70 50 EEIA CC[C@@H](C)[C@@H](CO)NC(=O)CCc1nc(-c2ccccc2OC)no1 218315077 DYCVEJYYTQIFTN-TZMCWYRMSA-N 347.415 2.201 70 50 EEIA Cc1nonc1CC(=O)N1CCC(c2nc3cc(F)ccc3[nH]2)CC1 217061407 DWZPVXJCJHSNKU-UHFFFAOYSA-N 343.362 2.342 70 50 EEIA O=C1CCN(C(=O)C[C@H](Cc2ccccc2)c2ccco2)CCN1 217368727 WDDPGSHJGGWZND-INIZCTEOSA-N 326.396 2.345 70 50 EEIA COc1ccc(C(=O)N(C)CC2CCOCC2)cc1N1CCOCC1 217031766 FWPCPXCONRGGDP-UHFFFAOYSA-N 348.443 2.030 70 50 EEIA OC[C@@H](Cc1c[nH]c2ccccc12)NC1CCC2(CC1)OCCO2 161495560 WIDCRDXRNFJJCM-MRXNPFEDSA-N 330.428 2.347 70 50 EEIA COc1ccc2c(ccn2CCNC(=O)[C@@H]2CC(=O)OC2(C)C)c1 218017716 ZNRDQWSVJFDILI-AWEZNQCLSA-N 330.384 2.108 70 50 EEIA biogenic C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1 166112922 MLEQLJDTDNVYGA-PHIMTYICSA-N 335.422 2.011 70 50 EEIA CN(C)[C@H]1CN(C(=O)c2ccc3c(c2)c2ccccc2n3C)C[C@@H]1O 218645476 YXLKVXJJRZXKKO-OALUTQOASA-N 337.423 2.078 70 50 EEIA C[C@H](NC(=O)CCc1ccc(-c2cccs2)o1)c1n[nH]c(=O)[nH]1 217783432 DKGDYTADSVQJMX-VIFPVBQESA-N 332.385 2.230 70 50 EEIA CC(C)n1c(CNC(=O)C[C@@H]2C=CS(=O)(=O)C2)nc2ccccc21 217481232 MDVRNMDBGIOUCN-ZDUSSCGKSA-N 347.440 2.182 70 50 EEIA O=S(=O)(F)N1CCC[C@H]1c1nc(Cc2ccc(F)cc2)no1 1875368269 FHLBXXNATHBBKJ-NSHDSACASA-N 329.328 2.151 70 50 EEIA CCN(Cc1noc(C2CC2)n1)C(=O)CCc1c(C)nc(O)nc1C 218680511 CNLZDTVFLBIRRP-UHFFFAOYSA-N 345.403 2.041 70 50 EEIA Nc1nc(C2CC(N)C2)cc(N2CCCN(C3CCCCC3)CC2)n1 218260717 JEMRWWCMPALUSH-UHFFFAOYSA-N 344.507 2.108 70 50 EEIA O=C(NC[C@H]1CC(=O)N(C2CCCC2)C1)c1n[nH]c2ccccc12 217424422 GVLWNZNEVPTYLE-GFCCVEGCSA-N 326.400 2.084 70 50 EEIA COc1cccc(C(=O)NCCC(=O)NCc2nc(C)c(C)s2)c1 218560423 WRFKMMNWXGETLH-UHFFFAOYSA-N 347.440 2.205 70 50 EEIA O=C(N[C@H]1CCCC2(CC2)C1)c1cncc(OS(=O)(=O)F)c1 1875385357 RGIWWLBRQBCMPS-NSHDSACASA-N 328.365 2.127 70 50 EEIA CS(=O)(=O)Cc1ccc(C[C@@H]2CC(=O)N(c3ccccc3)C2)nc1 218177465 XNGICYWGOWWHOM-OAHLLOKOSA-N 344.436 2.222 70 50 EEIA C[C@H](CO)N(C)C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 160457615 BCHLGCZEPKBJGC-SECBINFHSA-N 338.205 2.292 70 50 EEIA Clc1cnc(N2CCN(CCn3ccnc3)CC2)c(Cl)c1 159759107 VGTXKFKUHBQRMR-UHFFFAOYSA-N 326.231 2.407 70 50 EEIA CCC1(CC)CCN(C(=O)c2cncc(OS(=O)(=O)F)c2)C1 1875384659 IAHQABGUYBUIFP-UHFFFAOYSA-N 330.381 2.327 70 50 EEIA COc1cc(OC)cc(-c2nnc3sc(Cn4ccnc4)nn23)c1 218368758 UBNKMJFQKISDGA-UHFFFAOYSA-N 342.384 2.115 70 50 EEIA O=C1N[C@H]2CCC[C@@H]1CN(C(=O)c1ccccc1N1CCCC1)C2 217168791 IEAMFZKAGQVKJV-CABCVRRESA-N 327.428 2.028 70 50 EEIA C[C@H]1CN2CCC[C@@H]2CN1C(=O)Nc1ccc(-c2ncn(C)n2)cc1 161285251 VLVYIUBTNVWIPE-XJKSGUPXSA-N 340.431 2.183 70 50 EEIA C[C@@H]1CCC[C@H](N(C)C(=O)c2cncc(OS(=O)(=O)F)c2)C1 1875385514 UUJHWIGGEBXILZ-PWSUYJOCSA-N 330.381 2.325 70 50 EEIA O=C(NC[C@@H]1COCCO1)c1cccc(CN2CCCCCC2)c1 217841998 TWQYLSAAYHANLV-GOSISDBHSA-N 332.444 2.208 70 50 EEIA CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc(=O)[nH]c3cc(F)ccc23)C1 161373793 BEFDLXHRQSFTET-BZNIZROVSA-N 331.391 2.126 70 50 EEIA COCCCn1ccc(NC(=O)C2(c3ccccc3)CCNCC2)n1 160947074 KNGHLPBVXQHFIU-UHFFFAOYSA-N 342.443 2.180 70 50 EEIA Cc1cc(N)n(CC(=O)N2CCCC[C@H]2CCc2cccc(O)c2)n1 217140465 SZIHGZUROWZTQD-INIZCTEOSA-N 342.443 2.493 70 50 EEIA Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)[C@@H](C)c1cccs1 160307019 ZHCOYWPQDHBZKR-VIFPVBQESA-N 330.413 2.121 70 50 EEIA Cc1ncc(CN(CCS(=O)(=O)F)[C@H]2CC[C@@H](C)C2)c(C)n1 1875382865 UWDWZWGRYUNXOG-ABAIWWIYSA-N 329.441 2.383 70 50 EEIA O=C(N[C@@H]1CCOC[C@H]1OCc1ccccn1)c1ccncc1Cl 218005031 IZDFZQWAAFLMFY-HZPDHXFCSA-N 347.802 2.234 70 50 EEIA CN(C)CC1CCC(NC(=O)Nc2cnn(CC(F)F)c2)CC1 160501133 IKUXGVRSCVIDBQ-UHFFFAOYSA-N 329.395 2.390 70 50 EEIA Cc1nc(CN2CCCn3nc([C@H](O)c4ccccc4)cc3C2)no1 217563769 FJTDTZMUHKEIHN-GOSISDBHSA-N 339.399 2.062 70 50 EEIA O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CCCC[C@H]1CCO 1875382883 VMEDCCARAHROSU-LBPRGKRZSA-N 346.380 2.049 70 50 EEIA COc1ccc(C(=O)N(C)Cc2cc(C)no2)cc1N1CCOCC1 217048044 NNXMCPWBNKKPHL-UHFFFAOYSA-N 345.399 2.100 70 50 EEIA Cc1nnc(SCCNC(=O)CCn2nc(C)c(C)c2C)s1 218562134 RIPBVKYFTLXYGP-UHFFFAOYSA-N 339.490 2.267 70 50 EEIA CN(CC(=O)N[C@@H](c1ccccc1)c1nccn1C)Cc1cccnc1 217721674 IDKKGOPSUCJGJU-IBGZPJMESA-N 349.438 2.153 70 50 EEIA Cc1cnc2c(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4[C@@H]3C3CCCC3)cnn2c1 218057151 GDSJAPWYXABWMI-SVGFKBNWSA-N 340.427 2.361 70 50 EEIA CCC[C@H](Nc1ncnc2ccccc12)C(=O)NCc1cnn(C)c1 217807528 WRYZALJPJCKAEJ-INIZCTEOSA-N 338.415 2.260 70 50 EEIA NC[C@H]1CCCN1C(=O)c1[nH]nc(-c2ccccc2)c1Br 160386434 WCZWYEIXVZXNGO-LLVKDONJSA-N 349.232 2.403 70 50 EEIA O=C(Cn1cnc2ccccc21)N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1 218256420 QKOGIIDQFWXSTC-KSMMKXTCSA-N 336.395 2.060 70 50 EEIA CN(C)C[C@@]1(CO)CCCN(C(=O)c2ccc(N3CCCC3)cc2)C1 217014721 GEVCFHZVSGXDAD-FQEVSTJZSA-N 345.487 2.063 70 50 EEIA CN(Cc1ccon1)C(=O)C1(c2ccc(S(C)(=O)=O)cc2)CCC1 218746740 NAQPYEAXXHGQKY-UHFFFAOYSA-N 348.424 2.158 70 50 EEIA O=S(=O)(F)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 1875368291 HQQCJZGLSKRGLF-JTQLQIEISA-N 329.328 2.269 70 50 EEIA CN1CCN(CC(C)(C)CN2CCOCC2)C[C@@H]1c1ccccc1 217201988 BWJDYMSFGZOGQC-LJQANCHMSA-N 331.504 2.334 70 50 EEIA CN1CCC2(CCCN2C(=O)c2ccc(S(=O)(=O)F)cc2)CC1 864241619 ZGYSGCQJOQYOFO-UHFFFAOYSA-N 340.420 2.045 70 50 EEIA O=C(CC1CCN(S(=O)(=O)F)CC1)NNc1cccc(Cl)c1 1875306434 GBCQQPAXFSIADQ-UHFFFAOYSA-N 349.815 2.100 70 50 EEIA CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cccc(-c2ncn[nH]2)c1 161495900 PTMIJGGINASSTJ-GOSISDBHSA-N 349.438 2.374 70 50 EEIA CN(Cc1cc(-c2ccncc2)no1)c1cc(C2CC(N)C2)ncn1 218439216 CMVHOSVSAORTHZ-UHFFFAOYSA-N 336.399 2.368 70 50 EEIA C[C@@H](OC1CCCCCC1)C(=O)NS(=O)(=O)c1cccnc1 161124264 QDWQIKPQLMBVCL-GFCCVEGCSA-N 326.418 2.014 70 50 EEIA COc1ccc(C(=O)N[C@H](CO)C(C)C)cc1-n1nc(C)cc1C 218290216 NFGVCUDXHPETNQ-OAHLLOKOSA-N 331.416 2.244 70 50 EEIA O=S(=O)(F)Oc1cccc(NS(=O)(=O)c2ccccc2)c1 1875375518 GMRZUIZPJRCRSK-UHFFFAOYSA-N 331.346 2.081 70 50 EEIA CC(C)n1c(CCNC(=O)c2ccn3nnnc3c2)nc2ccccc21 218277814 DKSRQOFPRCJXAG-UHFFFAOYSA-N 349.398 2.027 70 50 EEIA CSCC(=O)N1CCCn2nc([C@@H](O)c3ccccc3)cc2C1 218524907 HVYCJYRBTRTICJ-KRWDZBQOSA-N 331.441 2.060 70 50 EEIA C[C@@H](O)c1cc2n(n1)CCCN(C(=O)Cn1ccc3ccccc31)C2 217757577 XFWSNRLKQJZOLA-CQSZACIVSA-N 338.411 2.324 70 50 EEIA COCc1cccc(CN(CCS(=O)(=O)F)[C@H](C)CC#N)c1 1875382615 JBRXZHANPUAHQO-CYBMUJFWSA-N 328.409 2.236 70 50 EEIA Cn1ccc(NC(=O)[C@@H]2N3C(=O)c4ccccc4[C@@H]3SC2(C)C)n1 218526525 ZQURLYRBMZBQTJ-BBRMVZONSA-N 342.424 2.407 70 50 EEIA Nc1ccnc(CN2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)n1 161134758 ZMFBPIJFVTXVLA-STQMWFEESA-N 338.333 2.386 70 50 EEIA CCc1nccn1CCC(=O)NC[C@H]1CC(=O)N(C)c2ccccc21 217915162 FWXWETOUFFELHQ-CQSZACIVSA-N 340.427 2.102 70 50 EEIA COc1ccc(Cc2nnc3sc(Cc4ncc(C)[nH]4)nn23)cc1 218338289 RXOVXAQYTJBISK-UHFFFAOYSA-N 340.412 2.408 70 50 EEIA Cn1ccc(NC(=O)[C@H]2N3C(=O)c4ccccc4[C@H]3SC2(C)C)n1 218526778 ZQURLYRBMZBQTJ-CZUORRHYSA-N 342.424 2.407 70 50 EEIA Cn1c([C@@H]2CCCN(C(=O)CN3CCCC3)C2)nc2ccccc21 217627070 VZFICAKCXLXZPU-OAHLLOKOSA-N 326.444 2.375 70 50 EEIA C[C@@H]1CCC2(CC2)N(C(=O)c2cncc(OS(=O)(=O)F)c2)C1 1875382185 UBXFFMTYZGOELL-SNVBAGLBSA-N 328.365 2.079 70 50 EEIA Cc1cc(C(C)(C)C)cc(S(=O)(=O)N[C@@H]2COCC[C@H]2O)c1C 218728831 RFDSCOXXELJAMG-HUUCEWRRSA-N 341.473 2.029 70 50 EEIA Cn1ccnc1[C@H](O)c1cc2n(n1)CCN(C/C=C/c1ccccc1)C2 218271427 KEPIVLULEWCBKI-MTCRFPMVSA-N 349.438 2.227 70 50 EEIA CC[C@H](C)C[C@@H](C)NC(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 160921588 YZVDWQGGLZRXNR-YNEHKIRRSA-N 342.465 2.189 70 50 EEIA CSCC[C@@H](CO)NC(=O)c1nc(-n2cccc2)sc1C 218200316 RJLQBHAZHAVINA-NSHDSACASA-N 325.459 2.086 70 50 EEIA O=C(Cc1cccnc1)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@H](O)C1 218247874 BWWMNICYHQBGAF-QKLQHJQFSA-N 338.407 2.187 70 50 EEIA CCc1nc(C)c(CC(=O)N2CCc3c(Cl)cccc3C2)c(=O)[nH]1 216933095 LUZHXQRGGPXJSM-UHFFFAOYSA-N 345.830 2.422 70 50 EEIA CCn1cc(C(=O)N2CC[C@](C)(O)[C@H](Cc3ccccc3)C2)cn1 216836233 VXVDMFSPQFYECO-MJGOQNOKSA-N 327.428 2.359 70 50 EEIA CCCCc1cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)[nH]n1 159949866 JOQDGSHQVGFROA-UHFFFAOYSA-N 337.401 2.324 70 50 EEIA