smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccsc1C(=O)NNc1ccccc1F 152781010 NFXLFOZHRJDMRA-UHFFFAOYSA-N 250.298 2.953 50 50 CFGA O=C(N/N=C/c1cccc(O)c1)[C@@H]1C[C@H]1c1ccccc1 4188143 LFFBLYGCBPJLBH-CHOUFLSKSA-N 280.327 2.646 50 50 CFGA NNC(=O)c1ccc(COc2ccc3ccccc3c2)o1 135554 KAGLMPJIJKYNOE-UHFFFAOYSA-N 282.299 2.615 50 50 CFGA N#CC(C#N)=Cc1cc2c(cc1Br)OCO2 409516 WMSFXZAGAUDPNV-UHFFFAOYSA-N 277.077 2.608 50 50 CFGA O=[N+]([O-])c1ccc(OCCCl)c(OCCCl)c1 3160467 HYZDQDAVZVEVKU-UHFFFAOYSA-N 280.107 2.830 50 50 CFGA CC[C@H](Br)C(=O)Nc1ccc(F)cc1 32919687 DILDYQZQIHEIPY-VIFPVBQESA-N 260.106 2.938 50 50 CFGA CC(C)(C)c1ccc(/C=N\NC(=O)c2cnccn2)cc1 30738156 ANFRBVUSEJIHJM-GRSHGNNSSA-N 282.347 2.538 50 50 CFGA Cc1nn(C)c(NC(=O)[C@@H](C)Cl)c1-c1ccccc1 1875364655 PLOWKWYWQPQLHZ-SECBINFHSA-N 277.755 2.961 50 50 CFGA C[C@@H]1CCCN(S(=O)(=O)c2ccc(N=C=S)cc2)C1 17024092 OXSMLEXBNZWGCK-LLVKDONJSA-N 296.417 2.842 50 50 CFGA CCOC(=O)/C(C#N)=C/N(C)c1c(C)cccc1CC 5569396 XYJRVZXPTWRRST-SDNWHVSQSA-N 272.348 2.964 50 50 CFGA COc1ccc(C=C(C#N)C#N)cc1Br 245433 MYCUMQDZUIOCTJ-UHFFFAOYSA-N 263.094 2.888 50 50 CFGA C[C@@H](NC(=O)CCl)c1ncc(-c2ccc(F)cc2)o1 1875375250 WJXNOAXDFSPPON-MRVPVSSYSA-N 282.702 2.897 50 50 CFGA CSc1ccc(-c2csc(NNC(N)=O)n2)cc1 225746029 SZRJFXRLCQEQGD-UHFFFAOYSA-N 280.378 2.527 50 50 CFGA O=C(N/N=C/c1cccnc1)c1cc2ccccc2cc1O 493663 LUGYAYWAJPEZCO-YBFXNURJSA-N 291.310 2.704 50 50 CFGA Cc1cccc(Cl)c1NC(=O)CBr 10151686 JUWNYBBNIXEFJA-UHFFFAOYSA-N 262.534 2.982 50 50 CFGA Nc1sc2c(c1C(=O)NNc1ccccc1)CCCC2 100165803 NYTRHNAOYCTCCC-UHFFFAOYSA-N 287.388 2.966 50 50 CFGA O=C(OCc1cncs1)Oc1ccc([N+](=O)[O-])cc1 72400623 FTEKBGGQRNJIPQ-UHFFFAOYSA-N 280.261 2.767 50 50 CFGA in-vitro CCCN(CCC)C(=O)[C@H](Br)CC 32919610 VAFSRWXRIRJBKH-SECBINFHSA-N 250.180 2.809 50 50 CFGA CCOC(=O)c1oc2c(c1C)C(Cl)=C(C=O)CC2 282309 GECMCNWALPGVMC-UHFFFAOYSA-N 268.696 2.860 50 50 CFGA in-vitro O=C(CCl)N([C@H]1CCCc2occc21)[C@@H]1CCOC1 1875382561 GYXPGMOIFRSUEE-PWSUYJOCSA-N 283.755 2.513 50 50 CFGA CCO/C=C(/C#N)S(=O)(=O)c1ccc(Cl)cc1 2170093 SUWQYQRJDNCPOP-FLIBITNWSA-N 271.725 2.515 50 50 CFGA Cc1cc(OCc2ccc(C(=O)NN)cc2)ccc1Cl 2384550 FUORJFHDXZOCNA-UHFFFAOYSA-N 290.750 2.831 50 50 CFGA O=C(CCl)NCc1ccc(C(=O)c2ccc(F)cc2)o1 1431517 UZMBVVDZLJWVAU-UHFFFAOYSA-N 295.697 2.505 50 50 CFGA Fc1cccc(Cl)c1Cn1cnc(N=C=S)n1 2552510 VAVCTYCNCJXIDX-UHFFFAOYSA-N 268.704 2.853 50 50 CFGA COc1cc(Br)c(C(=O)Cl)cc1OC 40451528 QADMMVWIMLEMOU-UHFFFAOYSA-N 279.517 2.845 50 50 CFGA O=C(CCCl)Nc1cc([N+](=O)[O-])ccc1Cl 4290647 LCWVNILNPZITDG-UHFFFAOYSA-N 263.080 2.816 50 50 CFGA C/C(=N\NC(=O)c1cc(C(C)C)[nH]n1)c1ccc(F)cc1 9088930 QVAMDMPEPWAWON-LICLKQGHSA-N 288.326 2.826 50 50 CFGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1 2485542 JORSFMZSKBBLEZ-ZUZCIYMTSA-N 280.327 2.747 50 50 CFGA CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccoc1 217234 CLYLARRMMIGEHA-HNNXBMFYSA-N 281.315 2.564 50 50 CFGA O=[P@@](O)(c1ccccc1)c1nc2ccccc2s1 3172206 CFIXGBMNAXHWEK-UHFFFAOYSA-N 275.269 2.518 50 50 CFGA CC(C)(C)OC(=O)CCCCI 196334514 MUZIHYJJSZAJSY-UHFFFAOYSA-N 284.137 2.933 50 50 CFGA in-vitro C[C@H](Cl)C(=O)N1CCC[C@H]1c1cccc2c1OCCO2 1875364821 UYOIWRWUPUAWSL-JQWIXIFHSA-N 295.766 2.749 50 50 CFGA C[C@@H](Cl)C(=O)N1CC2(CC2)Oc2ccccc21 1875367315 VTRIUCFMJCDKLJ-SECBINFHSA-N 251.713 2.572 50 50 CFGA O=C(NNC(=O)C1[C@@H]2CCCC[C@@H]12)c1ccccc1Cl 299473 VYYSASPAEDDCKV-NXEZZACHSA-N 292.766 2.537 50 50 CFGA Cc1ccc(NC(=O)[C@@H](C)Br)c(F)c1 235085229 XUQQZRKRFZTIRR-SSDOTTSWSA-N 260.106 2.856 50 50 CFGA CC(C)(C)OC(=O)N1CC[C@@H](Br)[C@@H](F)C1 675082306 YATYOTHYSYTNIS-SFYZADRCSA-N 282.153 2.729 50 50 CFGA Nc1cc(Br)ccc1C(=O)CCCl 91692839 NIQRDMAODSKXQM-UHFFFAOYSA-N 262.534 2.843 50 50 CFGA COc1ccc([C@H]2C[C@H](NC(=O)[C@H](C)Cl)C2)cc1F 1875376165 NRLXSIIMEINPOK-LSJOCFKGSA-N 285.746 2.824 50 50 CFGA O=C(NN=C(c1ccccc1)c1ccccc1)c1cc[nH]n1 45324 LCFFVPNMEXJZNP-UHFFFAOYSA-N 290.326 2.592 50 50 CFGA CSC1=C(C#N)[C@H](c2sccc2C)CC(=O)N1 278836 LEZRZQWCQCVNNC-MRVPVSSYSA-N 264.375 2.758 50 50 CFGA CC(C)(CCl)C(=O)Nc1ccc([N+](=O)[O-])cc1 5284383 UCTOFSPKYXYMSU-UHFFFAOYSA-N 256.689 2.798 50 50 CFGA BrCc1ncccc1Br 98086072 FVIZOBDAEIFYGH-UHFFFAOYSA-N 250.921 2.739 50 50 CFGA COc1ccc(/C=N/NC(=O)CCc2ccccc2)cc1 284614 NBMIBXVCBRRYIR-QGOAFFKASA-N 282.343 2.778 50 50 CFGA CC[Si](CC)(CC)OC[C@H](C)COS(C)(=O)=O 196009193 SZQQMSOQVGLNIO-LLVKDONJSA-N 282.478 2.621 50 50 CFGA O=C1OC(=O)[C@@]23CCCC[C@]12CCc1ccccc13 101092894 TYGUCZXHJGCPKQ-HOTGVXAUSA-N 256.301 2.514 50 50 CFGA Cc1n[nH]c2c1[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 32540520 JNAOVETXLSIQBV-LBPRGKRZSA-N 286.722 2.590 50 50 CFGA O=C(CBr)c1nc2ccccc2s1 158623 AYWGYNKWZWBMSV-UHFFFAOYSA-N 256.124 2.874 50 50 CFGA CCO[Si](CCCSC#N)(OCC)OCC 169748383 HKMVWLQFAYGKSI-UHFFFAOYSA-N 263.435 2.639 50 50 CFGA in-vitro C[C@H](Cl)C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 1875380419 OMRTVOPFHPTTCM-ATGSNQNLSA-N 293.794 2.645 50 50 CFGA COc1ccc(N(C)C(=O)[C@@H](C)Cl)cc1Cl 1875364221 KEURMAWSRJGBJV-SSDOTTSWSA-N 262.136 2.939 50 50 CFGA CCOC(=O)C(C#N)=C(Nc1ccccc1)SC 2040691039 SXJJUZCQEIWUAO-UHFFFAOYSA-N 262.334 2.760 50 50 CFGA Cc1[nH]nc2c1[C@H]([C@@H](C)c1ccccc1)C(C#N)=C(N)O2 5013415 LLWDWAXQJRDOLH-TVQRCGJNSA-N 280.331 2.692 50 50 CFGA O=C(N/N=C/c1cccs1)c1cccc2cc[nH]c12 431708 CKCOVVRZIBGGEZ-CXUHLZMHSA-N 269.329 2.993 50 50 CFGA O=C(Cl)c1cc(Br)ccc1[N+](=O)[O-] 67800090 DWPYEZADNDBZOV-UHFFFAOYSA-N 264.462 2.736 50 50 CFGA CC(=O)c1sc(NC(=O)CCCCl)nc1C 2745755 QHASVNHLAGVHCV-UHFFFAOYSA-N 260.746 2.612 50 50 CFGA COc1ccc2nc(NC(=O)CCCl)sc2c1 19279241 XCVBKVKLYJPFIY-UHFFFAOYSA-N 270.741 2.872 50 50 CFGA CC(=O)c1ccc(NC(=O)[C@@H](C)Br)cc1 4567004 UEJSEPMXGKFSEI-SSDOTTSWSA-N 270.126 2.611 50 50 CFGA C/C(=N/NC(=O)c1ccc(O)c(O)c1)c1ccc(C)cc1 16134185 ZODKHCBTEXKQQK-BOPFTXTBSA-N 284.315 2.560 50 50 CFGA O=C(N/N=C\C=C\c1ccco1)c1ccc([N+](=O)[O-])cc1 14010305 JSTCMLMHNLIXLM-ITGPMQJPSA-N 285.259 2.617 50 50 CFGA Cc1[nH]nc2c1[C@@H]([C@@H](C)c1ccccc1)C(C#N)=C(N)O2 5013413 LLWDWAXQJRDOLH-ZANVPECISA-N 280.331 2.692 50 50 CFGA Cc1cccc(NCCCC(=O)N/N=C/c2ccco2)c1 2996102 ONYLEVMOTKLTFC-LDADJPATSA-N 285.347 2.930 50 50 CFGA CC[C@@H](Br)C(=O)Nc1ccc(NC(C)=O)cc1 3122792 MCBNOAMRHNYHSC-LLVKDONJSA-N 299.168 2.757 50 50 CFGA CC(/C=C/c1ccccc1)=N\NC(=O)c1ccccn1 4673057 AYADKQWVLXZRSA-OAVRUSMPSA-N 265.316 2.901 50 50 CFGA O=C(N/N=C/c1ccc(Cl)s1)[C@@H](O)c1ccccc1 432909 FGXVSVRFEIDJBC-AAWHYMEISA-N 294.763 2.585 50 50 CFGA O=C(N/N=C/c1cc(Cl)ccc1O)c1cccc(F)c1 66524 AXIJLQWQKAKRAG-CAOOACKPSA-N 292.697 2.949 50 50 CFGA O=C1c2cnn(-c3ccccc3)c2CC[C@@H]1Br 105890 MIYPPKAYULSMQS-NSHDSACASA-N 291.148 2.765 50 50 CFGA C[C@H](Cl)C(=O)N1CC[C@H](c2ccc(F)c(F)c2)C1 1875369848 LZAKKIMEGCGIBH-WPRPVWTQSA-N 273.710 2.908 50 50 CFGA COc1ccc(C)cc1NC(=O)[C@@H](C)Br 16849148 QRMORLPITJKOOT-MRVPVSSYSA-N 272.142 2.726 50 50 CFGA O=C(CBr)c1cc(-c2ccccc2)no1 4241219 XTBXGZOVSCTNEC-UHFFFAOYSA-N 266.094 2.919 50 50 CFGA in-vitro Cc1ccc(/C=N/NC(=O)CSc2ccccn2)cc1 66303 XGYLZWZQHOKPFN-LICLKQGHSA-N 285.372 2.632 50 50 CFGA Cc1scc(C(=O)N/N=C/c2ccccn2)c1C 372864 ATDULBXBCUGSQF-VIZOYTHASA-N 259.334 2.524 50 50 CFGA CC1(C)O[C@H](c2ccco2)CN1C(=O)C(Cl)Cl 5454976 MCNOFYBITGAAGM-QMMMGPOBSA-N 278.135 2.719 50 50 CFGA endogenous,in-man C[Si](C)(C)Oc1ccnc(O[Si](C)(C)C)n1 169747504 FSBNTQRWSOTNEW-UHFFFAOYSA-N 256.454 2.904 50 50 CFGA C[C@H](Cl)C(=O)N[C@H](C)c1csc(C2CC2)n1 1875364065 HUIXUQCJWJTMBY-NKWVEPMBSA-N 258.774 2.825 50 50 CFGA COCc1nc(C)c(C(=O)O[C@H]2CCC=C(C#N)C2)s1 888099298 FXRSMTRQAKFSOZ-NSHDSACASA-N 292.360 2.757 50 50 CFGA CC(=O)N/N=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1 4210221 IHGIATJNIOGGOI-WOJGMQOQSA-N 296.326 2.684 50 50 CFGA O=C(CCl)Nc1ncc(Cc2ccccc2)s1 146972 JHXGLKACLBGNHG-UHFFFAOYSA-N 266.753 2.911 50 50 CFGA Cc1cc(C(=O)N/N=C/c2cccc3ccccc23)[nH]n1 9015171 KEKWLPURDSKJSH-LICLKQGHSA-N 278.315 2.635 50 50 CFGA N#CC(C#N)=C(N)COc1ccc(Cl)cc1Cl 168961 IOPKPPSEUFNONC-UHFFFAOYSA-N 268.103 2.632 50 50 CFGA Cc1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 301082 TVAUDWJFLTWSPZ-MHWRWJLKSA-N 283.287 2.667 50 50 CFGA O=S1(=O)CC23CC=CCC2(CC=CC3)[C@H]1Cl 4973061 BWNCZALTXQSFOM-UNXYVOJBSA-N 258.770 2.653 50 50 CFGA O=C1OOC(=O)[C@H](c2ccccc2)[C@H]1c1ccccc1 332309 ROYRHFSVGIEUEI-ZIAGYGMSSA-N 268.268 2.569 50 50 CFGA Cc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)s1 370947 OJOPNOFWDTWLOD-MHWRWJLKSA-N 287.388 2.886 50 50 CFGA CC(C)(CCl)C(=O)Nc1ccc(CC#N)cc1 2569413 FUBXZOBRCICZJS-UHFFFAOYSA-N 250.729 2.956 50 50 CFGA O=C(N/N=C/c1c(F)cccc1Cl)c1ccccn1 381431 YESUNLOGEWVMSQ-CAOOACKPSA-N 277.686 2.638 50 50 CFGA C[C@@H]1CN(C(=O)CCl)CC[C@@H](c2ccccc2)O1 1875367242 FKMBPRFKABRXAS-YPMHNXCESA-N 267.756 2.604 50 50 CFGA O=C(O)[C@@H](Br)Cc1cccc(Cl)c1 2546429 GXLAUOCANIECQQ-QMMMGPOBSA-N 263.518 2.731 50 50 CFGA CCOC(=O)N[C@@H](N=C=S)C(Cl)(Cl)Cl 3123004 KFNRHTNNCLQBIZ-SCSAIBSYSA-N 277.560 2.532 50 50 CFGA C=CCC/C(C)=N\NC(=O)c1cccc([N+](=O)[O-])c1 4990278 LABFRDYWJPJEBT-UVTDQMKNSA-N 261.281 2.667 50 50 CFGA Cc1cc(NC(=O)[C@H](C)Cl)cnc1OC(F)F 1875376184 OCLDQPXOOSSHGY-LURJTMIESA-N 264.659 2.557 50 50 CFGA C[C@H](Br)C(=O)NCCc1ccc(Cl)cc1 32919970 ZRIKJWRPOBCYNI-QMMMGPOBSA-N 290.588 2.782 50 50 CFGA CCCCCC(=O)N/N=C(/C)c1ccc(O)cc1O 5458849 JDZZEXATQABREI-GDNBJRDFSA-N 264.325 2.518 50 50 CFGA CCOc1ccc(NCC(=O)NN=C2CCCCC2)cc1 524609 KQKKAIKHOVPDRB-UHFFFAOYSA-N 289.379 2.934 50 50 CFGA COc1ccc(/C=N/NC(=O)c2cccs2)c(OC)c1 228087 SBMDQUXVPFMTRH-OQLLNIDSSA-N 290.344 2.529 50 50 CFGA N#C/C(=C\c1ccccc1C(F)(F)F)C(N)=S 257931 HMLCSAVQVIPJPJ-VMPITWQZSA-N 256.252 2.898 50 50 CFGA O=C(COc1ccc(Cl)cc1)N/N=C/c1ccccc1 261379 SXVAUSGNZCCPIJ-LICLKQGHSA-N 288.734 2.869 50 50 CFGA Cc1scc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c1C 373182 AJKLGMAUJDHNPH-WLRTZDKTSA-N 293.304 2.630 50 50 CFGA Cc1cccc(C[C@@H](SC#N)C(=O)OCCCl)c1 2973779 VQBDAIFSQFLEPG-GFCCVEGCSA-N 283.780 2.902 50 50 CFGA CCn1cncc1[C@@H]1CCCCN1C(=O)[C@H](C)Cl 1875380517 RFWVFMCUHQFDRF-QWRGUYRKSA-N 269.776 2.584 50 50 CFGA C[C@@H]1CCCC/C1=N/NC(=O)CNc1ccc(F)cc1 100390156 CUZQOIXOJKFBDI-GMVXBXSFSA-N 277.343 2.920 50 50 CFGA C[C@@H](Br)C(=O)NCc1cccc(Cl)c1 41717105 POKKIWZOQVLVAY-SSDOTTSWSA-N 276.561 2.740 50 50 CFGA COC(=O)[C@H](Br)c1ccc(Cl)cc1 34459721 LWQLLIVTGSMSCT-MRVPVSSYSA-N 263.518 2.949 50 50 CFGA in-vitro CCOc1ccc(/C=N/NC(=O)Cc2cccs2)cc1 554239 MWUOOTBOZAPXJU-LFIBNONCSA-N 288.372 2.840 50 50 CFGA CC/C(Cc1ccccc1)=N\NC(=O)c1ccncc1 12384054 JVTHFJTZZWHGTE-OBGWFSINSA-N 267.332 2.820 50 50 CFGA CCOC(=O)/C(C#N)=C1\Sc2ccccc2N1C 19798596 IZUMOAIKWSZWNX-XFXZXTDPSA-N 260.318 2.527 50 50 CFGA CC1(C)CC(=O)[C@@H](C(=O)Cc2ccccc2)C(=O)[C@H]1Cl 100319479 IKZRJPUGMXAEHP-UKRRQHHQSA-N 292.762 2.590 50 50 CFGA O=C(N/N=C/c1c(F)cccc1Cl)c1cccnc1 273682 MAHGRFRINQGGIE-CAOOACKPSA-N 277.686 2.638 50 50 CFGA O=C(N/N=C/c1nc2ccccc2[nH]1)c1cccc(Cl)c1 4458740 IVUCRVJFQXNUHR-RQZCQDPDSA-N 298.733 2.980 50 50 CFGA O=C(O)CCC(=O)N(Nc1ccccc1)c1ccccc1 347002 IPLDYEAELGBFBT-UHFFFAOYSA-N 284.315 2.912 50 50 CFGA BrCC(Br)CBr 1719220 FHCLGDLYRUPKAM-UHFFFAOYSA-N 280.785 2.540 50 50 CFGA in-vitro C[C@@H](NC(=O)CCl)c1nc2ccccc2n1C(F)F 1324702359 WPYCAGVBHPVHIS-SSDOTTSWSA-N 287.697 2.847 50 50 CFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(C)cc1 267700 MMFSVZVLKRRIEG-OAHLLOKOSA-N 298.342 2.640 50 50 CFGA Cc1ccc(C[C@H](SC#N)C(=O)OCCCl)cc1 2362332 QLOTXSFGMDTVAA-LBPRGKRZSA-N 283.780 2.902 50 50 CFGA O=C(CCCNc1ccccc1)N/N=C/c1ccco1 2996155 KCLSXGHFZWEXGC-SFQUDFHCSA-N 271.320 2.622 50 50 CFGA Cc1ccccc1C[C@@H](SC#N)C(=O)OCCCl 3182117 NGLJNHOLEBIZPZ-GFCCVEGCSA-N 283.780 2.902 50 50 CFGA COc1ccccc1O[C@@H](C)C(=O)N/N=C/c1ccccc1 35653639 OKAZRDFPRPQFCX-HTMJNSLASA-N 298.342 2.613 50 50 CFGA N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(O)cc1 434563 DHSLACSDHWIVAQ-XFXZXTDPSA-N 280.283 2.643 50 50 CFGA COc1ccc(C(=O)NN=Cc2ccc(F)cc2)cc1 19879583 UKPYHZJHGFRDBZ-UHFFFAOYSA-N 272.279 2.598 50 50 CFGA Cc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc1 252320706 OHDPYDLTXGTZGJ-NJALCGSSSA-N 256.349 2.881 50 50 CFGA COc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 140272 UMZVZGVSKURDIH-UKTHLTGXSA-N 282.299 2.512 50 50 CFGA N[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95682044 KCLQEUUUMVRJGG-UHFFFAOYSA-N 278.315 2.854 50 50 CFGA CCCC/C(C)=N/NC(=O)C(=O)Nc1cccc(Cl)c1 4611320 OPYZMHSTWXPHQB-LICLKQGHSA-N 295.770 2.961 50 50 CFGA O=C(CCCc1ccccc1)N/N=C/c1ccc(O)cc1O 4955975 KGIPATPRMUMGGR-LDADJPATSA-N 298.342 2.571 50 50 CFGA O=C(N/N=C/c1c[nH]c2ccccc12)[C@@H]1CC12CCC2 4950187 WXGHELDDNAVUFK-SGPNVBEDSA-N 267.332 2.808 50 50 CFGA N#CC1(C#N)[C@H]2C=C[C@H](Cl)C=CC=C[C@H]2C1(C#N)C#N 254500733 HFLMZNCJCDHLAR-UPJWGTAASA-N 280.718 2.589 50 50 CFGA O=C(N/N=C/c1ccc(Cl)s1)[C@H](O)c1ccccc1 432911 FGXVSVRFEIDJBC-AZZDOICSSA-N 294.763 2.585 50 50 CFGA Cc1ccccc1OCC(=O)NN=C1CCCCC1 242767 FZUSAMMSJLDOND-UHFFFAOYSA-N 260.337 2.810 50 50 CFGA CC(C)[C@H](CO)NC(=O)CCCC[C@@H]1CCSS1 606440375 GCWMERSAJNFQBB-NEPJUHHUSA-N 291.482 2.834 50 50 CFGA C/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 51584 VNPBYFMDTCBKNK-WJDWOHSUSA-N 283.287 2.749 50 50 CFGA O=C1[C@@H](Br)CCCC[C@@H]1Br 101186831 PAMIRPDGXRSPTC-WDSKDSINSA-N 269.964 2.657 50 50 CFGA O=C(CBr)c1c(F)ccc(F)c1F 16125733 QHDMYLKOXLOJJY-UHFFFAOYSA-N 253.017 2.682 50 50 CFGA Cc1cccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1 283420 XSSKVHLAJWLMGQ-OAHLLOKOSA-N 280.327 2.810 50 50 CFGA Cc1cc(NC(=O)[C@@H](Cl)c2ccccc2)no1 342405 WIROTDJNVBQVLU-NSHDSACASA-N 250.685 2.902 50 50 CFGA O=C(Cl)Cc1ccc(Br)cc1F 75932252 ISHVKUZUDOZKIY-UHFFFAOYSA-N 251.482 2.896 50 50 CFGA N#C/C(=C/c1ccc(Br)s1)C(=O)O 5716508 UWCQSGXMOQXNFV-HYXAFXHYSA-N 258.096 2.502 50 50 CFGA CC(C)(C)OC(=O)N1CCC[C@H](Br)C1 65731320 YCUDHDNCZHPAJK-QMMMGPOBSA-N 264.163 2.781 50 50 CFGA O=C(COc1ccccc1)N/N=C/c1ccccc1Cl 284633 WPSVYKBHUCYVCA-LICLKQGHSA-N 288.734 2.869 50 50 CFGA CO[C@@H](NC(=O)c1ccc(Cl)cc1)C(Cl)Cl 3160557 OGVJRQWNLCEFNA-SNVBAGLBSA-N 282.554 2.846 50 50 CFGA CCC1=C(C)CN(C(=O)Oc2ccc([N+](=O)[O-])cc2)C1=O 139835448 AVQHVWOFLIYDEQ-UHFFFAOYSA-N 290.275 2.662 50 50 CFGA O=C(CCl)Nc1ccc(C(=O)NC2CCCC2)cc1 13324274 INHMORNABGFORD-UHFFFAOYSA-N 280.755 2.536 50 50 CFGA CC1(C)CC(=O)C=C(NNC(=O)CCc2ccccc2)C1 18276730 ALZWNFZXERBCTF-UHFFFAOYSA-N 286.375 2.513 50 50 CFGA CN(/N=C/c1ccc([N+](=O)[O-])s1)C(=O)OC(C)(C)C 1875258667 BQLSNSODXQBQOU-KPKJPENVSA-N 285.325 2.857 50 50 CFGA FC(F)(F)[C@H](I)CCl 2386439 VTXHEMNTBOVTHP-UWTATZPHSA-N 258.408 2.591 50 50 CFGA in-vitro CC(C)[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cccs3)c21 6529231 GJFGRZFOMWBYNH-JTQLQIEISA-N 286.360 2.964 50 50 CFGA C[C@H](Br)C(=O)NCCC1=CCCCC1 32919996 ZMSWJQNUQIADHR-VIFPVBQESA-N 260.175 2.777 50 50 CFGA Cc1cccc(OCCOCCBr)c1 2896808 VRLIKQDGRPSJMH-UHFFFAOYSA-N 259.143 2.785 50 50 CFGA CCOC(=O)/C(C#N)=C/Nc1c(C)cccc1CC 5569399 ZJPAHPAKUUTZHM-JLHYYAGUSA-N 258.321 2.940 50 50 CFGA O=C(Cc1cccs1)N/N=C/C=C/c1ccco1 1798784 HTQHGHNAJKTWPN-QGUONYHJSA-N 260.318 2.699 50 50 CFGA COc1ccc(-c2csc(NC(=O)CCl)n2)cc1 507725 TUHPWXHMMCWTON-UHFFFAOYSA-N 282.752 2.996 50 50 CFGA ClC[C@](Cl)(Br)CBr 2036376 KKPLLXWDLWIQDL-VKHMYHEASA-N 270.779 2.950 50 50 CFGA O=C(NNc1ccccc1F)c1ccc(Cl)nc1 152780789 HDYWQCIWIOZYNV-UHFFFAOYSA-N 265.675 2.631 50 50 CFGA CCCN(NC(=O)Nc1cccnc1)C(=O)OC(C)(C)C 241435154 NLEBGHSFZFVTGQ-UHFFFAOYSA-N 294.355 2.765 50 50 CFGA C[C@H]1[C@H]2C[C@@H](C/C2=N\NC(=O)c2ccncc2)C1(C)C 227251975 IOTDVNRGAXIZDI-SGPFJZMSSA-N 271.364 2.870 50 50 CFGA CCCCNC(=O)/C(C#N)=C\c1ccc(O)c(OCC)c1 5175342 RYEYHWDJYVOAFJ-LCYFTJDESA-N 288.347 2.614 50 50 CFGA C/C(=N/NC(=O)c1cccnc1)c1c[nH]c2ccccc12 4737848 OOSZJVWNRAOYBH-ODLFYWEKSA-N 278.315 2.717 50 50 CFGA C/C(=N\NC(=O)Cc1cccs1)c1ccccc1O 100612384 DGTSIKKZQXAVMH-XNTDXEJSSA-N 274.345 2.537 50 50 CFGA BrCCCOCCCBr 112927323 GOKUDEWVRNZXDZ-UHFFFAOYSA-N 259.969 2.573 50 50 CFGA O=C(CBr)c1cc2ccc(F)cc2oc1=O 146238797 QTKTXAWIRPEKHC-UHFFFAOYSA-N 285.068 2.510 50 50 CFGA COc1ccc(/C=N/NC(=O)OCc2ccccc2)cc1 3086147 QYLKYKOTGGPAKZ-GZTJUZNOSA-N 284.315 2.956 50 50 CFGA CCCc1[nH]nc2c1[C@H]([C@@H]1CC=CCC1)C(C#N)=C(N)O2 6589210 QJOIOHIELFOAGM-ZWNOBZJWSA-N 284.363 2.888 50 50 CFGA O=C1OC(=O)[C@@H]2[C@@H]3CCCCC3=C3CCCC[C@H]3[C@@H]12 104186083 SLLYQMXCKAECGW-AAVRWANBSA-N 260.333 2.993 50 50 CFGA CC(C)(C)OC(=O)N1CC[C@@](C#N)(O[Si](C)(C)C)C1 204356263 PVWFGQURJWJHJF-ZDUSSCGKSA-N 284.432 2.741 50 50 CFGA O=S(=O)(c1ccc(Cl)cc1)C(Cl)Cl 226104 DPMGHIZQJJURTF-UHFFFAOYSA-N 259.541 2.875 50 50 CFGA C[C@@]1(c2ccc3c(c2)OCO3)O[C@@H](CCl)CS1 1766745 DWLXQAAZOXWLKI-JOYOIKCWSA-N 272.753 2.959 50 50 CFGA C[C@@H](Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2582422 GSRRUZUPEBWJRP-RXMQYKEDSA-N 263.080 2.814 50 50 CFGA in-vitro O=C(COc1ccccc1Cl)N/N=C/c1cccs1 566406 FROCRNMJOFCKTM-OVCLIPMQSA-N 294.763 2.931 50 50 CFGA C[C@@H](/C=N\NC(=O)c1ccc2c(c1)OCO2)c1ccccc1 5094550 YZGRSAOLUJAPDH-XACIZNRCSA-N 296.326 2.935 50 50 CFGA COc1cc(C=C(C#N)C#N)cc(Br)c1O 283348 RMTVRMJDCJSEMW-UHFFFAOYSA-N 279.093 2.594 50 50 CFGA CN(C)c1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)o1 110982861 RJTBTWJQVJQZGT-UYKTVCGASA-N 289.379 2.622 50 50 CFGA O=C(CCl)Nc1c(Br)ccc2c1CCO2 1875366819 GLQMIWIBDKPAQB-UHFFFAOYSA-N 290.544 2.561 50 50 CFGA CCOC(=O)[C@@H](Cc1ccc(OCC)cc1)SC#N 2923517 XEOJTNLYSPTOJM-CYBMUJFWSA-N 279.361 2.774 50 50 CFGA FC(F)(F)C1(C(F)(F)F)[C@H]2C[C@H]3[C@@H]([C@@H]2Cl)[N@@]31 1857524886 KTZIHWKLLROSMN-RIDFIHTQSA-N 265.584 2.544 50 50 CFGA CC(C)(C)C(=O)C(Br)Br 159462 WIPDATICDHNWKG-UHFFFAOYSA-N 257.953 2.718 50 50 CFGA O=C(CCCCCl)N1CCCSC1=S 725375990 SYDYSXWWQFGFKQ-UHFFFAOYSA-N 251.804 2.646 50 50 CFGA N#C/C(=C\c1ccc(O)c(O)c1)C(=O)Nc1ccccc1 15335 HKHOVJYOELRGMV-XYOKQWHBSA-N 280.283 2.643 50 50 CFGA in-vitro N#C/C(C(=O)CCl)=C1\Nc2ccccc2S1 2570577 BULWJBIPSLXWPH-XFFZJAGNSA-N 250.710 2.747 50 50 CFGA CCC(CC)=NNC(=O)c1c(C)nc2sccn12 445696 RTGWVSOTJGNLOF-UHFFFAOYSA-N 264.354 2.610 50 50 CFGA C[C@@]12C[C@H](Br)[C@@H](Br)C[C@@]1(C)O2 101137750 ZQEYVDVWGJJBOA-RULNZFCNSA-N 283.991 2.855 50 50 CFGA Cn1cc(/C=N/NC(=O)c2ccco2)c2ccccc21 289288 XRVWRIJLQLMOTQ-CXUHLZMHSA-N 267.288 2.535 50 50 CFGA O=C(N/N=C/c1ccc(Cl)cc1)c1cc(C2CC2)n[nH]1 2955625 PJEUAQVLFIRAKO-LZYBPNLTSA-N 288.738 2.704 50 50 CFGA Cc1c(F)cccc1NC(=O)[C@H](C)Br 235449385 NSWKTWVAADBTFJ-ZETCQYMHSA-N 260.106 2.856 50 50 CFGA CC1(C)OB(c2ccc(OCCCCl)cc2)OC1(C)C 198944686 OPQUKGKJTWQAKY-UHFFFAOYSA-N 296.603 2.994 50 50 CFGA in-vitro C[C@H]1COc2ccccc2N1C(=O)C(Cl)Cl 900621 PFJJMJDEVDLPNE-ZETCQYMHSA-N 260.120 2.604 50 50 CFGA biogenic,in-vitro C[C@@H](Cl)OC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 238802716 ZFFVDDOGEJPYIX-VIFPVBQESA-N 291.775 2.762 50 50 CFGA O=C(NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@@H](F)Cl 2325898128 UCOZKFFJXAIJCI-OPRDCNLKSA-N 277.673 2.686 50 50 CFGA Cc1ccc(S(=O)(=O)[C@H]2CCC[C@H]2Cl)cc1 1700454 ODICXHKSKRSPEO-NEPJUHHUSA-N 258.770 2.929 50 50 CFGA CCC(CC)=NNC(=O)C(=O)Nc1ccc(Cl)cc1 4499491 RNALHHMTSSOYDD-UHFFFAOYSA-N 281.743 2.571 50 50 CFGA C/C(Cc1nc2ccccc2[nH]1)=N/NC(=O)c1ccccc1 289811 RXPKUUKHILZKIR-NDENLUEZSA-N 292.342 2.911 50 50 CFGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccco3)[nH]n2)cc1 435437 WBSDXXBRYKRWCA-LICLKQGHSA-N 294.314 2.742 50 50 CFGA CC(C)Oc1cc(CN(C(=O)[C@H](C)Cl)C2CC2)ccn1 1875377568 HGRIRPFAURLYMV-NSHDSACASA-N 296.798 2.987 50 50 CFGA CC(=O)OCc1cc(/C=C(/C#N)C(N)=S)c(C)cc1C 13575561 ZKGBGJAOZYDVEY-ACAGNQJTSA-N 288.372 2.560 50 50 CFGA O=C(N/N=C/c1ccoc1)c1ccc(Br)cc1 4925129 NUKBIQFQZZBDSU-VGOFMYFVSA-N 293.120 2.806 50 50 CFGA ClCCOP(OCCCl)OCCCl 1693570 LUVCTYHBTXSAMX-UHFFFAOYSA-N 269.492 2.980 50 50 CFGA in-vitro Cc1ccc(NCC(=O)N/N=C\c2ccc(C)cc2O)cc1 55433268 FMAVRARRUXNIPW-GRSHGNNSSA-N 297.358 2.571 50 50 CFGA COc1ccc(/C=N/NC(=O)C2CCCCC2)cc1 511037 VKNBPPXEIXCLMZ-LFIBNONCSA-N 260.337 2.726 50 50 CFGA O=C(N/N=C/c1ccccc1O)Nc1ccccc1 588164 KJQAVFPMYZFAEU-XNTDXEJSSA-N 255.277 2.548 50 50 CFGA COc1ccc([C@H]2C(C#N)=C(N)Oc3cccc(O)c32)cc1 271441 XMROZBZTONELSX-HNNXBMFYSA-N 294.310 2.619 50 50 CFGA O=C(O)c1ccccc1OC(F)(F)[C@@H](F)Cl 2163659 OLWDZRPAHRSXRY-MRVPVSSYSA-N 254.591 2.891 50 50 CFGA COC(=O)c1ccc(OCCCBr)cc1 4060401 UXQAWAAALKEOIM-UHFFFAOYSA-N 273.126 2.637 50 50 CFGA in-vitro CCO[Si](CCC(F)(F)F)(OCC)OCC 169806578 ZLGWXNBXAXOQBG-UHFFFAOYSA-N 260.328 2.987 50 50 CFGA Cc1ccc(NCCCC(=O)N/N=C/c2ccco2)cc1 2996148 LCJYTPLVVPSKAJ-LDADJPATSA-N 285.347 2.930 50 50 CFGA Cc1cc(NC(=O)CCl)cnc1N1CCCC[C@@H]1C 1327499143 MPUGMAMKLHTWQF-NSHDSACASA-N 281.787 2.946 50 50 CFGA O=C(NNC(=O)c1ccccc1)Nc1ccc(Cl)cc1 485143 LCCJCCRJFPMGGB-UHFFFAOYSA-N 289.722 2.807 50 50 CFGA O=C1ON=C(CCl)/C1=C\c1c[nH]c2ccccc12 34926737 XZGWVIQMRFDTMR-BJMVGYQFSA-N 260.680 2.703 50 50 CFGA Cc1ccc2nc(C(=O)NNc3cc(F)ccc3C)cn2c1 1147133000 XLEQRIHBIGKAPQ-UHFFFAOYSA-N 298.321 2.847 50 50 CFGA NNC(=O)c1sc2cc(Cl)ccc2c1Cl 64777 NHXCNDGYHMEGLN-UHFFFAOYSA-N 261.133 2.812 50 50 CFGA N#CC1=C(N)SC(N)=C(C#N)C1c1ccccc1Cl 274723 GVCFZNJDHXYSRV-UHFFFAOYSA-N 288.763 2.558 50 50 CFGA COc1ccc(NC(=O)CCCCl)cc1OC 1777673 WJTZQIZYRCLETL-UHFFFAOYSA-N 257.717 2.661 50 50 CFGA Cc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)s1 47849 UVJUSIXMKOEUQU-CYBMUJFWSA-N 286.356 2.871 50 50 CFGA COC(=O)C1=C(C)NC(C)=C(C#N)[C@@H]1c1ccc(OC)cc1 407352 IJRKHRAMFUGYCE-INIZCTEOSA-N 298.342 2.627 50 50 CFGA CC1=NC(C(F)(F)F)(C(F)(F)F)C(C#N)=C(C)N1 4272457 CNCSIVDINZDXOB-UHFFFAOYSA-N 271.164 2.669 50 50 CFGA COc1ccc(/C(C)=N/NC(=O)c2ccoc2C)cc1 553308 XEVZMSYFBALWMS-MHWRWJLKSA-N 272.304 2.751 50 50 CFGA Cc1cccc(N(C)C(=O)[C@H](C)Br)c1 32919864 NGABQZXZEHHUCC-VIFPVBQESA-N 256.143 2.741 50 50 CFGA BrC[C@@H]1CSc2nnc(-c3ccccc3)n21 12505664 SEKDFIBRGOFXDZ-SECBINFHSA-N 296.193 2.987 50 50 CFGA C[C@H](O)C[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCl 1875381676 CXTFUEPMEGSIJB-QWRGUYRKSA-N 287.762 2.553 50 50 CFGA N#C/C=C/c1ccccc1I 2173730 GKYCNCYYESLGTD-HWKANZROSA-N 255.058 2.828 50 50 CFGA CCCc1n[nH]c2c1[C@H](c1ccsc1)C(C#N)=C(N)O2 13153388 XFJJRPKPJBEGSO-LLVKDONJSA-N 286.360 2.642 50 50 CFGA N#Cc1ccc(C(Br)Br)nc1 307067734 YQIQAYTUTMHOTP-UHFFFAOYSA-N 275.931 2.742 50 50 CFGA O=C1CC2(CCCC2)CC(=O)N1CCCCCl 34091288 BCNBRBQCDHLCBD-UHFFFAOYSA-N 257.761 2.715 50 50 CFGA in-vitro CC1(C)OB(c2ccccc2CBr)OC1(C)C 169746025 ROIXSNLOYHDYBP-UHFFFAOYSA-N 297.001 2.881 50 50 CFGA Cc1cccc(NC(=S)NNC(=O)c2cccc(C)c2)c1 66059 DYRVJLSUBLTXMM-UHFFFAOYSA-N 299.399 2.935 50 50 CFGA CC(C)CC(CC(C)C)NNC(=O)c1ccncc1 71771962 WHWCFJBGESTJJC-UHFFFAOYSA-N 263.385 2.777 50 50 CFGA O=C(Nc1nc2ccccc2s1)[C@H](F)CCl 2027829 CIDXADJNBZAOMW-ZCFIWIBFSA-N 258.705 2.812 50 50 CFGA CCC[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 1894409 ACIPSGOIBFBNPF-SECBINFHSA-N 260.337 2.770 50 50 CFGA C=C(C)C(=O)Nc1ccc(S(=O)(=O)SCC)cc1 4530298 GINMIFDUBVPSJM-UHFFFAOYSA-N 285.390 2.643 50 50 CFGA C[C@@]1(C(=O)Nc2ccccc2F)C[C@H]1Br 864058262 RQOGOMCSJMXPLG-MWLCHTKSSA-N 272.117 2.938 50 50 CFGA CC1=C(C#N)[C@@H](c2ccc(O)cc2)C2=C(CCCC2=O)N1 100524755 IAXQYZLNOFRSSP-MRXNPFEDSA-N 280.327 2.884 50 50 CFGA O=P(OCCCl)(OCCCl)OCCCl 1666648 HQUQLFOMPYWACS-UHFFFAOYSA-N 285.491 2.861 50 50 CFGA biogenic,in-vitro NNC(=O)[C@H](Sc1ccccc1)c1ccccc1 2564281 BLBSXELGHYWXGP-CYBMUJFWSA-N 258.346 2.510 50 50 CFGA in-vitro O=C(N/N=C/c1ccsc1)c1c[nH]c2ccccc12 432918 CXZKLLVVWKDDEM-FRKPEAEDSA-N 269.329 2.993 50 50 CFGA N#CC1=C(N)N2C(=C(C#N)C13CCCC3)Nc1ccccc12 534762 SVRLFWBXGZTXKX-UHFFFAOYSA-N 289.342 2.922 50 50 CFGA BrCc1cccnc1Br 34554887 NEWLOSCWMVKPGI-UHFFFAOYSA-N 250.921 2.739 50 50 CFGA in-vitro CCOC(=O)C[C@@H](NC(=O)CCl)C1CCCCCC1 1616034319 ZOSRCLLBPUTJCG-GFCCVEGCSA-N 289.803 2.634 50 50 CFGA C[C@H](Cl)C(=O)N1CCc2ccc(F)cc2[C@H]1C 1875364735 RZVMIZQDJMHHAS-DTWKUNHWSA-N 255.720 2.899 50 50 CFGA O=C(Cl)c1ccc(-c2noc(CCl)n2)cc1 34924966 DJELKBITKMTWRU-UHFFFAOYSA-N 257.076 2.854 50 50 CFGA O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1cnccn1 45348 OHSPRIWQBFCYPV-UBKPWBPPSA-N 295.129 2.547 50 50 CFGA Cc1c(Cl)cccc1NC(=O)CBr 5749208 WMPLVACEGKSQSJ-UHFFFAOYSA-N 262.534 2.982 50 50 CFGA CCc1c(C)sc(NC(=O)CCl)c1C(=O)OC 2513499 FXKSBBGLAJEBAR-UHFFFAOYSA-N 275.757 2.583 50 50 CFGA CCOc1ccc([C@H]2CC(=O)NC(SC)=C2C#N)cc1 9109079 PPVUZHPSNFNHQP-GFCCVEGCSA-N 288.372 2.787 50 50 CFGA Cn1cccc1C(=O)N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 1875390553 MFEHUXVQOXXHAL-MKMPXFTRSA-N 271.364 2.567 50 50 CFGA CC(/C=C/c1ccccc1)=N\NC(=O)c1ccncc1 12343260 COSOIDVYPRKBNX-OZOLYBCPSA-N 265.316 2.901 50 50 CFGA COC(OC)[C@@H](C)[C@@H](O)CO[Si](C)(C)C(C)(C)C 169836197 LUWYXDIAGAYMKJ-QWRGUYRKSA-N 278.465 2.624 50 50 CFGA CC1(C)CC(=O)[C@@H](C(=O)c2ccccc2)C(=O)[C@@H]1Cl 100319388 BLFQLOXHVZSMJH-FZMZJTMJSA-N 278.735 2.661 50 50 CFGA O=C(Br)[C@](F)(Br)C(F)(F)F 4329265 UOXZNFHPGQEABB-UWTATZPHSA-N 287.832 2.531 50 50 CFGA biogenic,in-vitro N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1F 70977 MCQOOYJMMNHPQP-CQSZACIVSA-N 284.290 2.640 50 50 CFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1[C@H]1CC=CCC1 115407 VCFQUELPHGNCFO-HZMBPMFUSA-N 270.332 2.690 50 50 CFGA C/C(=N\NC(=O)c1ccc(C)c(C)c1)c1ccc(O)cc1O 100550098 FEIGXVJMMJLVRL-LDADJPATSA-N 298.342 2.869 50 50 CFGA CC(C)c1ccc(CNC(=O)CBr)cc1 41693139 UIJJFKJEXMVRKK-UHFFFAOYSA-N 270.170 2.821 50 50 CFGA F[C@@H]1C[C@H]2[C@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245255033 DVWLACCWRDCQEN-QTBDOELSSA-N 285.590 2.787 50 50 CFGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccncc2)cc1 28615 YOXXFXCVBGSQOI-CPNJWEJPSA-N 296.374 2.692 50 50 CFGA COc1ccc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 4017621 PLQZKYYTCTWXGP-LJNFXEMMSA-N 294.354 2.949 50 50 CFGA Cc1cccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)c1 6658420 KOCPYQCBCQENKS-UHFFFAOYSA-N 271.276 2.660 50 50 CFGA O=C(Cl)c1ccc(I)cc1F 79750971 NCHCFDQANPUEII-UHFFFAOYSA-N 284.455 2.809 50 50 CFGA O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccncc1 2209921 UFOBPJHITJUNTR-DJKKODMXSA-N 293.248 2.864 50 50 CFGA CN(C)CCP(=O)(c1ccccc1)c1ccccc1 8572874 WTFJMSFVGMRGBQ-UHFFFAOYSA-N 273.316 2.562 50 50 CFGA N#C/C(=C/c1ccccc1)C(=O)Nc1ccc(O)cc1 434501 GZBLVGZWKVRHOA-RAXLEYEMSA-N 264.284 2.938 50 50 CFGA C[C@@H](NC(=O)CCl)c1ccc(Br)cc1 3394047 QOVVMRZOAXDWMK-SSDOTTSWSA-N 276.561 2.865 50 50 CFGA N#C/C(=C/c1ccco1)c1nc2ccccc2c(=O)[nH]1 12438572 MDGPKXVKZCGQCO-NTMALXAHSA-N 263.256 2.580 50 50 CFGA CN(C)CCCNC(=O)CCCC[C@@H]1CCSS1 123072089 WYBNMZHYWGSLQG-GFCCVEGCSA-N 290.498 2.768 50 50 CFGA biogenic Cc1cc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(C)o1 228251 PNASZGKAFKRRQX-OVCLIPMQSA-N 287.275 2.569 50 50 CFGA O=C(Cc1ccccc1)N/N=C/c1cccc2cccnc12 434804 IHCNCLPXTFYLEX-DEDYPNTBSA-N 289.338 2.928 50 50 CFGA CCC(CC)[C@@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21 547125 NWFZJBLBFNHEQA-GFCCVEGCSA-N 274.320 2.554 50 50 CFGA CC(C)O[C@H](CN(C)C(=O)CCl)c1ccccc1 1875379236 OLXAGGJHMUKSQR-CYBMUJFWSA-N 269.772 2.850 50 50 CFGA Cc1ccc(SCC(=O)NNC(=O)OC(C)(C)C)cc1 2866784 NDWUGSVLFFITPR-UHFFFAOYSA-N 296.392 2.643 50 50 CFGA Cc1ccc(/C=N/NC(=O)C2[C@H]3CCCC[C@H]23)cc1 100310878 OHDPYDLTXGTZGJ-JUACWREWSA-N 256.349 2.881 50 50 CFGA O=C(NNc1ncccc1Cl)c1ccc2cc[nH]c2c1 172267557 MESGIHRMRCSZHR-UHFFFAOYSA-N 286.722 2.973 50 50 CFGA O=C(N/N=C/C=C/c1ccccc1)c1ccncc1 1665945 IZMVXNJRIXIGGM-CUQLSPFUSA-N 251.289 2.511 50 50 CFGA C[C@@H](Cl)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 1875377827 ORURIXJSXWSKHX-PWSUYJOCSA-N 297.782 2.813 50 50 CFGA Cc1ccsc1/C=N\NC(=O)c1cc(C(C)(C)C)n[nH]1 15722577 RZOPDLQPYCWIQT-NVNXTCNLSA-N 290.392 2.841 50 50 CFGA C[C@H](Cl)C(=O)N1CC[C@@H](c2ccc(F)c(F)c2)C1 1875369847 LZAKKIMEGCGIBH-WCBMZHEXSA-N 273.710 2.908 50 50 CFGA C=CCOc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1 3150846 FAKCTXMTCBECFF-LDADJPATSA-N 296.326 2.721 50 50 CFGA Cc1cccc(OCC(=O)N/N=C/c2cccs2)c1 433464 FGJNABOIDICZSS-OQLLNIDSSA-N 274.345 2.586 50 50 CFGA C[C@@H](Cl)C(=O)N(CCN1CCCCCC1)C1CCC1 1875380627 UMYATNKDSGOUJG-CYBMUJFWSA-N 286.847 2.871 50 50 CFGA COc1ccccc1NCC(=O)N/N=C(\C)c1ccccc1 12362321 CNWPMXOUBJOAKV-CPNJWEJPSA-N 297.358 2.648 50 50 CFGA CC(=O)Oc1ccc2c(CBr)cc(=O)oc2c1 120431 YDJFMNSSDOXBSR-UHFFFAOYSA-N 297.104 2.613 50 50 CFGA in-vitro C/C(=N\NC(=O)c1cc(C2CC2)[nH]n1)c1cccs1 13110342 FVWWCDFTUVZMAB-RIYZIHGNSA-N 274.349 2.503 50 50 CFGA C[C@@H](NC(=O)CCl)c1coc2c(F)cccc12 1875369089 QCQQXBYRHZTFPA-SSDOTTSWSA-N 255.676 2.988 50 50 CFGA Cn1c(C(=O)N/N=C/c2ccccc2)cc2ccccc21 1233389 VDXFWTPZWJJCIZ-LDADJPATSA-N 277.327 2.942 50 50 CFGA Cc1cccc(/C=N/NC(=O)c2cccc(F)c2)c1O 63782 DOKDVWPVLMDMIU-RQZCQDPDSA-N 272.279 2.604 50 50 CFGA C/C(=N\NC(=O)Cc1cccn1C)c1ccc(Cl)cc1 13617772 SEPVPFAVGDHKJE-GZTJUZNOSA-N 289.766 2.761 50 50 CFGA Cc1ccc(NC(=O)C(=O)NN=C2CCCCC2)cc1C 4611375 KEDZDGGPZCRSOY-UHFFFAOYSA-N 287.363 2.678 50 50 CFGA Cc1cc(NC(=O)[C@@H](C)Cl)cnc1N1CCCCC1 1875366495 PHLOXXRIZPLXGC-LLVKDONJSA-N 281.787 2.946 50 50 CFGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccccc1 241621 JORSFMZSKBBLEZ-BONVTDFDSA-N 280.327 2.747 50 50 CFGA c1ccc(P(C[C@@H]2CCCN2)c2ccccc2)cc1 100058962 IWRBGJKCDORZHK-HNNXBMFYSA-N 269.328 2.871 50 50 CFGA O=C(NNC1=NCCCCC1)c1ccc(Cl)cc1 4489458 YLRMCQRLGGALJA-UHFFFAOYSA-N 265.744 2.547 50 50 CFGA O=C(N/N=C\c1c(Cl)cccc1Cl)c1cnccn1 13940320 CALRLLSTHLCJSU-FMQZQXMHSA-N 295.129 2.547 50 50 CFGA CC1(C)OB(c2cccc(OCCCl)c2)OC1(C)C 169935451 LAIAAVXEFDYWNK-UHFFFAOYSA-N 282.576 2.603 50 50 CFGA in-vitro C[C@H](Cl)C(=O)N[C@@H]1c2cc(F)ccc2C[C@@H]1C 1875364110 DSCABVMTJPKNTC-UBJUHAIHSA-N 255.720 2.803 50 50 CFGA O=C(NNC(=O)c1ccccc1F)c1cccc(Cl)c1 299176 BNUZZYCUNSGQCG-UHFFFAOYSA-N 292.697 2.554 50 50 CFGA N#C/C(=C\c1ccc(F)cc1)C(=O)NNc1ccccc1 183703938 FXFZSDVNDQRUMV-JLHYYAGUSA-N 281.290 2.876 50 50 CFGA CCOc1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1 288702 DWHZRAVDXUWBDD-GZTJUZNOSA-N 284.315 2.555 50 50 CFGA C[C@@H](Cl)C(=O)Nc1cc(CC(C)(C)C)nn1C 1875364714 RLEJCSIFJMJDGC-MRVPVSSYSA-N 257.765 2.575 50 50 CFGA Cc1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1 298818 DDRQRDFKBVNFFT-UHFFFAOYSA-N 288.734 2.723 50 50 CFGA O=C(N[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]21)[C@@H](F)Cl 2325897689 DQFLSCXFFWQKRC-QCNRFFRDSA-N 274.122 2.629 50 50 CFGA Cc1cc(C)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(C)c1 270550 ZWCNVZJEDSPOMC-HNNXBMFYSA-N 294.358 2.862 50 50 CFGA C/C(=N\NC(=O)c1ccccc1F)c1ccccc1O 5370441 WARJQMDRFKULKS-LICLKQGHSA-N 272.279 2.685 50 50 CFGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc(F)c1 240722 UABMVZXMXSVPSO-PSLIRLAXSA-N 298.317 2.886 50 50 CFGA Cc1ccccc1P(=O)(CO)c1ccccc1C 8015421 VIXLZBJXIVPMEK-UHFFFAOYSA-N 260.273 2.567 50 50 CFGA CCOC(=O)c1ccccc1CCBr 138580230 ABAWHAYBJQQBGA-UHFFFAOYSA-N 257.127 2.801 50 50 CFGA CCOc1ccc(/C=N/NC(=O)c2ccccc2O)cc1 298096 WYPXXOABGFXXRR-GZTJUZNOSA-N 284.315 2.555 50 50 CFGA Cc1ccc(/C=N/NC(=O)c2cccs2)cc1[N+](=O)[O-] 432640 WYTYBZLFHVSJAB-RIYZIHGNSA-N 289.316 2.729 50 50 CFGA O=C(Cc1ccccc1)N/N=C/C=C/c1ccco1 2854421 KNVAREUGKDGMHT-PVZXKMMOSA-N 254.289 2.638 50 50 CFGA COC(=O)C1=C(C)c2cc3c(cc2[C@@H]1Cl)OCO3 2466239 WBWCDADOSSEGMB-LBPRGKRZSA-N 266.680 2.655 50 50 CFGA CCc1cccc(NC(=O)[C@H](C)Br)c1 45796292 MFWVJRQCUZAPHM-QMMMGPOBSA-N 256.143 2.971 50 50 CFGA O=C1c2ccccc2C(=O)N1CCCCCBr 1730982 QKVHAKICMNABGB-UHFFFAOYSA-N 296.164 2.848 50 50 CFGA in-vitro C#C[C@H](NC(=O)CCl)c1ccc(Cl)cc1F 1875374685 CNPCQUUTIOOCID-JTQLQIEISA-N 260.095 2.508 50 50 CFGA C[C@H](Cl)C(=O)N1CC[C@@]2(CCc3ccccc3O2)C1 1875375380 AVMPAEPEGVLHKA-NHYWBVRUSA-N 279.767 2.610 50 50 CFGA CCOC(=O)[C@@H](Br)c1ccc(F)cc1 157932 IOZFTNUPLPETKT-VIFPVBQESA-N 261.090 2.825 50 50 CFGA Brc1cc(CI)ccn1 306662461 UDXXNGWRKGTTOV-UHFFFAOYSA-N 297.921 2.779 50 50 CFGA Nc1c(CBr)ccnc1C(F)(F)F 238657171 UPKYOUIZVYAYFW-UHFFFAOYSA-N 255.037 2.578 50 50 CFGA O=C(N/N=C/[C@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 4989648 LOYYQFJEEAQLIB-KBVGCWLLSA-N 273.292 2.667 50 50 CFGA C[C@H](O)CCC(=O)N/N=C/c1ccc(Cl)cc1Cl 3105744 ZDFZKUZEASECLG-CUXJQWCSSA-N 289.162 2.605 50 50 CFGA CC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1ccc(O)cc1 4946492 FTTUNKXWVAHZQX-CQSZACIVSA-N 286.356 2.607 50 50 CFGA C[C@H](Cl)C(=O)N1CC[C@H](Oc2cc(F)cc(F)c2)C1 1875367275 LDJDYXDAYSEATM-KWQFWETISA-N 289.709 2.572 50 50 CFGA O=C(CCl)NCc1ccsc1C(F)(F)F 1330275951 XFYNOFMYSXJRQO-UHFFFAOYSA-N 257.664 2.622 50 50 CFGA Cc1nc2c(s1)[C@@H](N(C)C(=O)CCl)CCC2 1323268610 DEYAFMQRKZEJRK-VIFPVBQESA-N 258.774 2.526 50 50 CFGA COc1cc(C(=O)CCl)c(O)cc1Br 39793 XEONINSUIBDWAP-UHFFFAOYSA-N 279.517 2.585 50 50 CFGA C/C(=N\NC(=O)c1ccncc1)c1ccccc1Cl 12671952 QZWHCEOEMMVVBN-LICLKQGHSA-N 273.723 2.889 50 50 CFGA in-vitro Cc1[nH]nc2c1[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 5125976 GPWYRDPTGJYJNL-LBPRGKRZSA-N 286.722 2.590 50 50 CFGA OB(O)c1cccc(-c2cccc3c2oc2ccccc23)c1 202860766 NFFQEUGCDMASSS-UHFFFAOYSA-N 288.111 2.933 50 50 CFGA O=C(COc1ccc2ccccc2c1)N/N=C/c1ccco1 261375 NPBZZBAWLSDWAS-WOJGMQOQSA-N 294.310 2.962 50 50 CFGA C[C@H]1CC[C@H](NC(=O)CCl)Cc2ccccc21 1875368190 XYOUCMRXKUBXRA-JQWIXIFHSA-N 251.757 2.850 50 50 CFGA C/C(=N\NC(=O)c1ccncc1)c1ccc(C)cc1 4989852 LYIJZKJJYFLIFK-SFQUDFHCSA-N 253.305 2.544 50 50 CFGA NNC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 40537910 OHUWXNFHAVKQAE-UHFFFAOYSA-N 271.103 2.857 50 50 CFGA Cc1cccc(O[C@H](C)C(=O)N/N=C/c2ccccc2)c1 137031 KTWPHBSDJWGMJB-CRRKTRLDSA-N 282.343 2.913 50 50 CFGA N#C/C(=C/c1ccccc1)C(=O)NCc1ccco1 1446787 DYKSJBHBWDPHOG-LCYFTJDESA-N 252.273 2.503 50 50 CFGA O=C(N/N=C/c1ccccc1)[C@H]1C[C@H]1c1ccccc1 3096021 OGGKFAULSBCNTR-COGMNKOPSA-N 264.328 2.940 50 50 CFGA O=C(N[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]21)[C@H](F)Cl 2325897690 DQFLSCXFFWQKRC-WKJUBOCMSA-N 274.122 2.629 50 50 CFGA CCCCCC(=O)NNC(=O)c1ccc(Cl)cc1 2865024 YKXLKKASGOXAEF-UHFFFAOYSA-N 268.744 2.681 50 50 CFGA C/C(=N\NC(=O)c1cc(C2CC2)[nH]n1)c1ccc(F)cc1 8564998 QTHXWKISXJGDLP-RQZCQDPDSA-N 286.310 2.580 50 50 CFGA COC(OC)c1cccc(-c2noc(CCl)n2)c1 34924929 OABQKRQGDXVTTC-UHFFFAOYSA-N 268.700 2.767 50 50 CFGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(C#N)cc1 245226901 RKZAWWHRWQDNBK-FCDSQYCYSA-N 281.359 2.835 50 50 CFGA CCOc1ccccc1/C=N/NC(=O)c1ccccc1O 296922 WPZVOJYVXXZSSH-GZTJUZNOSA-N 284.315 2.555 50 50 CFGA CCOc1ccccc1/C=N/NC(=O)c1ccc(OC)cc1 297713 SAQPEBOYDBZSBK-LDADJPATSA-N 298.342 2.858 50 50 CFGA Cc1ccsc1/C=C(\C#N)C(=O)NCc1ccco1 227210 SRNCUIYFSWLQBB-YRNVUSSQSA-N 272.329 2.873 50 50 CFGA COc1cc(OC)c(NC(=O)CCl)cc1Cl 1751299 ZNZPWAUYDVUDTN-UHFFFAOYSA-N 264.108 2.535 50 50 CFGA in-vitro CCOc1cc(/C=N/NC(=O)c2ccccc2C)ccc1O 485428 ITXMCFLJGRXUHB-WOJGMQOQSA-N 298.342 2.863 50 50 CFGA O=S(=O)(c1ccc(N=C=S)cc1)N1CCCCCC1 19737292 DXVSAGFLARHWIP-UHFFFAOYSA-N 296.417 2.986 50 50 CFGA Cc1cc(C)n(-c2ccccc2CNC(=O)[C@H](F)Cl)n1 2325898291 ZMALMJZTZFRHNO-ZDUSSCGKSA-N 295.745 2.640 50 50 CFGA COc1ccc(/C=N/NC(=O)C2CCCCC2)cc1OC 505866 XIGOVCDFKZABTR-GZTJUZNOSA-N 290.363 2.734 50 50 CFGA Oc1ccc(C(F)(F)F)nc1CBr 238713445 YDOQGZMMWNTHRA-UHFFFAOYSA-N 256.021 2.701 50 50 CFGA CCCC[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@H]1C[C@H]1CCCC 244594226 DISACLKUQROZLM-MQYQWHSLSA-N 280.412 2.786 50 50 CFGA Cc1cccc(C(=O)N/N=C/c2nc3ccccc3[nH]2)c1 251015 OLZIKYUHECWPHB-LICLKQGHSA-N 278.315 2.635 50 50 CFGA CCCCCOc1ccc(-c2ccc(B(O)O)cc2)cc1 169747410 DBDYXLZXTNHAFI-UHFFFAOYSA-N 284.164 2.602 50 50 CFGA O=C(CCl)N(C1CCCCC1)C1CCOCC1 1875369828 KZFXJRFIJCETRC-UHFFFAOYSA-N 259.777 2.566 50 50 CFGA Cc1ccccc1/C=N/NC(=O)c1cccc(F)c1 298692 MFEWUVLBXIDNKS-LICLKQGHSA-N 256.280 2.898 50 50 CFGA C[C@@H](Cl)C(=O)N1CCO[C@H](c2ccc(Cl)s2)C1 1875364172 HBAAGMUEZMJRBK-SFYZADRCSA-N 294.203 2.929 50 50 CFGA COc1cccc(/C=N/NC(=O)COc2cccc(C)c2)c1 222578 QSYCVNWOQGAXLW-WOJGMQOQSA-N 298.342 2.533 50 50 CFGA Cc1ccnc(C(F)(F)F)c1NC(=O)CCl 1875378088 VNCFETIOXSHFRC-UHFFFAOYSA-N 252.623 2.586 50 50 CFGA COc1ccc2nc(NC(=O)[C@@H](C)Cl)sc2c1 19281257 NYPSOVKZBBFHTP-ZCFIWIBFSA-N 270.741 2.871 50 50 CFGA COC(=O)c1ccc(OC(F)(F)[C@@H](F)Cl)cc1 2162109 SFCNJUSRCUKGAU-SECBINFHSA-N 268.618 2.979 50 50 CFGA CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H]2Br 101388457 QGSRTTBTCLSPDM-VGMNWLOBSA-N 276.174 2.779 50 50 CFGA in-vitro O=C(CSc1ccccn1)N/N=C/[C@@H]1CC=CCC1 66311 UMADZYUSZMMQFV-HMHNVIDESA-N 275.377 2.632 50 50 CFGA CN(NC(=O)C[C@@H]1Cc2ccccc2O1)c1ccccc1 1648743651 UMPNPPPYKRSDFP-HNNXBMFYSA-N 282.343 2.548 50 50 CFGA COc1cccc(C(=O)N/N=C/c2cccs2)c1 299366 JKJQEIODKFFLDI-NTEUORMPSA-N 260.318 2.521 50 50 CFGA CC(=O)N[C@@H](O)C(Cl)(Cl)[C@H](Cl)c1ccccc1 219729 DORJKYGYXJDYKI-ZJUUUORDSA-N 296.581 2.595 50 50 CFGA COc1cc(-c2nnc(CCl)o2)cc(OC)c1OC 1431615 MCQVCVYAUIGFJQ-UHFFFAOYSA-N 284.699 2.501 50 50 CFGA CCOC(=O)CC1CCC(I)CC1 221084673 PMWLMDGASBSEMM-UHFFFAOYSA-N 296.148 2.933 50 50 CFGA C/C(=N\NC(=O)c1ccccc1)c1ccccc1O 12362529 QOTDSLFPCMBSIA-LFIBNONCSA-N 254.289 2.546 50 50 CFGA CC(C)[C@@H](NC(=O)CCl)c1nc2ccccc2[nH]1 1319784762 LAQZLBDYKVZAGA-GFCCVEGCSA-N 265.744 2.615 50 50 CFGA CC[C@H](Br)C(=O)N1CCc2ccccc21 32919900 KKHAKDWYZMWANQ-JTQLQIEISA-N 268.154 2.749 50 50 CFGA C/C(=N\NC(=O)[C@@H]1CC12CCC2)c1cccc([N+](=O)[O-])c1 4471645 BIPVDGXKWUOCRE-RKPNYOAGSA-N 287.319 2.625 50 50 CFGA CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H]2Br 100057846 QGSRTTBTCLSPDM-HRDYMLBCSA-N 276.174 2.779 50 50 CFGA in-vitro C/C(Cc1ccccc1)=N\NC(=O)c1cccc([N+](=O)[O-])c1 4579480 DQBURQDMHHADBH-SFQUDFHCSA-N 297.314 2.943 50 50 CFGA C[C@@H](Cl)C(=O)NCc1csc(-c2ccco2)n1 1875364705 RAVKLIQUTZTPCA-SSDOTTSWSA-N 270.741 2.647 50 50 CFGA N#C/C(=C\Nc1ccc(F)c(Cl)c1)C(N)=S 101152367 ZJTZUMCZOWSVEC-AATRIKPKSA-N 255.705 2.585 50 50 CFGA CN(CCO[Si](C)(C)C(C)(C)C)c1nccnc1C#N 408524683 XLXQBDWBPNZYBM-UHFFFAOYSA-N 292.459 2.806 50 50 CFGA CCOc1ccc(/C=N/NC(=O)c2cccs2)cc1 243624 XFVGBUGPKZIHDQ-XNTDXEJSSA-N 274.345 2.911 50 50 CFGA CC1(C)OB(c2cccc(CCl)c2)OC1(C)C 169904071 KWUGBVHPELQIAF-UHFFFAOYSA-N 252.550 2.725 50 50 CFGA Cc1cn(-c2ccc(C(=O)CBr)cc2)cn1 21303738 LKQQZQZAQABIRT-UHFFFAOYSA-N 279.137 2.758 50 50 CFGA in-vitro COc1ccc(C(=O)NN=C2CCC(C)CC2)cc1 6050539 GGEAMFRJGUFDGZ-UHFFFAOYSA-N 260.337 2.991 50 50 CFGA O=C(N/N=C/c1ccc([N+](=O)[O-])s1)C1[C@H]2CCCC[C@H]12 100311185 MWEPLDZUOTVQQC-CZYGQQSCSA-N 293.348 2.543 50 50 CFGA CC[C@@H](Br)C(=O)N1CCc2ccccc2C1 32919823 LEMCOILBVNEORA-GFCCVEGCSA-N 282.181 2.745 50 50 CFGA C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)CCl 1875375067 PMMXWNBFAGHOMD-ZETCQYMHSA-N 286.162 2.975 50 50 CFGA O=C(NNC(=O)C1[C@H]2CCCC[C@H]12)c1ccccc1Cl 299469 VYYSASPAEDDCKV-UWVGGRQHSA-N 292.766 2.537 50 50 CFGA Nc1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1 136229 BSSKWODTFLQDIF-RQZCQDPDSA-N 273.723 2.686 50 50 CFGA O=C(N/N=C/c1ccc(O)c(O)c1)c1cccc(Cl)c1 297268 AFGGNWOUYYSHCC-LZYBPNLTSA-N 290.706 2.515 50 50 CFGA O=C(Cc1cccs1)N/N=C/c1cccs1 32478 XUYPQDVJFSJFJI-XYOKQWHBSA-N 250.348 2.502 50 50 CFGA CC(C)OC1CCN(C(=O)[C@@H]2CCCSS2)CC1 1875388401 ZYYWJRMYFRBAES-LBPRGKRZSA-N 289.466 2.946 50 50 CFGA CCCCCCCC(=O)NNC(=O)Cc1ccccc1 2755572 UNQQHCKTFJXLKH-UHFFFAOYSA-N 276.380 2.737 50 50 CFGA aggregator O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1O 2527946 XSTIAAYONYIWGB-UHFFFAOYSA-N 259.217 2.520 50 50 CFGA in-vitro O=C(CCl)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 1327084372 BFJJEFKNRGOSQU-CHWSQXEVSA-N 283.755 2.546 50 50 CFGA O=C(NNC(=O)C1CCCCC1)c1ccccc1Cl 435760 MBBNHMOSXUDISX-UHFFFAOYSA-N 280.755 2.681 50 50 CFGA N#CC1=C(N)C(C#N)(C#N)C2(CCCC2)[C@H]2CCC=C12 98200 PBTDXURSDVMETO-ZDUSSCGKSA-N 264.332 2.667 50 50 CFGA COC(=O)c1ccccc1OC(F)(F)[C@H](F)Cl 2162102 QEZLBZLCQDPNAR-VIFPVBQESA-N 268.618 2.979 50 50 CFGA CC(C)=NNC(=O)[C@@H](C)Oc1ccccc1Cl 45068340 QSSPRYGEROJSPL-SECBINFHSA-N 254.717 2.619 50 50 CFGA N#C/C(=C/c1cc(Br)cs1)C(N)=S 32223241 AQZBJSFRRUURQV-KTAJNNJTSA-N 273.180 2.704 50 50 CFGA CCOC(=O)/C(C#N)=C\Nc1ccc([N+](=O)[O-])cc1Cl 214466752 VIRFIEKKLULPKS-FPLPWBNLSA-N 295.682 2.631 50 50 CFGA CC1(C)[C@H]2CC[C@]1(C)C1=C2[C@H]2C[C@H]1[C@H]1C(=O)OC(=O)[C@H]21 257357361 NQXRZLYEVRMUNK-XZXQDONRSA-N 272.344 2.705 50 50 CFGA CN(C)c1ccc(/C=N/NC(=O)/C=C/c2ccccc2)cc1 3141679 YRRCPXUJJXDJTJ-NIEGGPFSSA-N 293.370 2.916 50 50 CFGA COc1ccc(/C=N/NC(=O)c2ccccn2)cc1Cl 5005173 FUBWPEPVEWQMRM-RQZCQDPDSA-N 289.722 2.508 50 50 CFGA Cc1cc(C)c(CCl)c(C)c1/C=C(\C#N)C(N)=O 42445 NTRWFOLWWXZBEY-VZUCSPMQSA-N 262.740 2.743 50 50 CFGA CN(NC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 3109250 BOTONEGGCDEOCV-UHFFFAOYSA-N 279.343 2.878 50 50 CFGA O=C(CCl)NCc1ccc(Cl)c(Cl)c1 6329324 PJMJMKONEFOACK-UHFFFAOYSA-N 252.528 2.848 50 50 CFGA C[C@H](Oc1ccc(Br)cc1)C(=O)Cl 40451342 LHMKCZJMSGRBSV-LURJTMIESA-N 263.518 2.982 50 50 CFGA COc1ccc2c(c1)CC[C@H](Br)C2=O 33359472 NAXVBXDTOCUKNH-JTQLQIEISA-N 255.111 2.588 50 50 CFGA CCCCOC(=O)c1ccc(NC(=O)CCl)cc1 1671438 OAGNXKQRLZIKND-UHFFFAOYSA-N 269.728 2.821 50 50 CFGA in-vitro C[C@@H](Cl)C(=O)N[C@H](C)c1ccccc1-n1cccn1 1875363893 CWIIVYXWYHWSRN-GHMZBOCLSA-N 277.755 2.677 50 50 CFGA O=C1OOC(=O)[C@@H](c2ccccc2)[C@H]1c1ccccc1 332307 ROYRHFSVGIEUEI-OKILXGFUSA-N 268.268 2.569 50 50 CFGA CCC[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 4645090 ACIPSGOIBFBNPF-VIFPVBQESA-N 260.337 2.770 50 50 CFGA CC(C)(C)OC(=O)N/N=C(\N)Cc1ccccc1Cl 43769305 LGGNBHSWVFBWIH-UHFFFAOYSA-N 283.759 2.679 50 50 CFGA C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccco1 1453501 CAHXWMWMIHWVCC-JSJZUPIVSA-N 292.722 2.851 50 50 CFGA COc1ccc(C(=O)[C@@H](C)Br)cc1OC 2042162 DFIFMYKGEATZJD-SSDOTTSWSA-N 273.126 2.670 50 50 CFGA CN(NC(=O)C[C@@H]1OCCc2ccccc21)c1ccccc1 734542276 DYVATLMCCQELIU-KRWDZBQOSA-N 296.370 2.858 50 50 CFGA N#CC(NC(=O)Cc1ccsc1)=C(Cl)Cl 1775975549 CQMVIFMMJNTCDD-UHFFFAOYSA-N 261.133 2.577 50 50 CFGA ClCc1cc(Cl)n2ncc(Br)c2n1 1772716687 NTZCDOUAOOFOHA-UHFFFAOYSA-N 280.940 2.884 50 50 CFGA C[C@H]1CCCCN1S(=O)(=O)c1ccc(N=C=S)cc1 19737301 VITUFBHUBOQDCY-NSHDSACASA-N 296.417 2.984 50 50 CFGA Cc1nnc(NC(=O)[C@@H](Cl)c2ccccc2)s1 41675557 NWIBPGZYMQCXSI-VIFPVBQESA-N 267.741 2.765 50 50 CFGA CCOC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1Cl 144019 HFVMRQPHPPOXLY-YRNVUSSQSA-N 278.739 2.876 50 50 CFGA C/C(=N\NC(=O)c1ccccn1)c1ccc(Cl)cc1 5035137 STWMEWBDLVLPJS-LICLKQGHSA-N 273.723 2.889 50 50 CFGA C/C(=N\NC(=O)Cn1cnc2ccccc21)c1ccsc1 5605699 RXFPTIPHYOBIJA-GZTJUZNOSA-N 298.371 2.638 50 50 CFGA COC(=O)C12CCC(CBr)(CC1)CC2 307247831 MZEOLPWRJRJUNY-UHFFFAOYSA-N 261.159 2.895 50 50 CFGA CCCCCc1ccc(-c2ccc(B(O)O)c(F)c2)cc1 170025571 CCBMYLLGXOKXFX-UHFFFAOYSA-N 286.155 2.905 50 50 CFGA Cc1ccc(S(=O)(=O)OCCCCCl)cc1 71772127 WBRXGQPUYZLAFA-UHFFFAOYSA-N 262.758 2.719 50 50 CFGA C[C@@H](Oc1ccc(Br)cc1)C(=O)Cl 40451343 LHMKCZJMSGRBSV-ZCFIWIBFSA-N 263.518 2.982 50 50 CFGA O=C(O)c1ccccc1OC(F)(F)[C@H](F)Cl 2163661 OLWDZRPAHRSXRY-QMMMGPOBSA-N 254.591 2.891 50 50 CFGA CC[C@H](Br)C(=O)Nc1ccccc1OC 9096058 CWSBSQMCZUTXON-QMMMGPOBSA-N 272.142 2.807 50 50 CFGA C/C(=N\NC(=O)COc1ccc(C)cc1C)c1ccccn1 43763787 XOEUPNRUKXYGGI-XMHGGMMESA-N 297.358 2.618 50 50 CFGA O=C(COc1ccccc1Cl)N/N=C/c1ccccc1 566477 VAIWPMKMCZTBPG-LICLKQGHSA-N 288.734 2.869 50 50 CFGA O=C(N/N=C/c1cnc2ccccc2n1)c1ccc(F)cc1 355539 KTLSTCXPLKDWDG-VXLYETTFSA-N 294.289 2.533 50 50 CFGA C[C@@H](Br)C(=O)Nc1cc(F)cc(F)c1 235081796 UTJFSBSMRYSRSQ-RXMQYKEDSA-N 264.069 2.687 50 50 CFGA CC[N+](=C/C=C(/C#N)c1ccc(C(=C=N)C#N)cc1)CC 526056870 FWMNDMFDTGQSKZ-UHFFFAOYSA-N 277.351 2.872 50 50 CFGA Cc1cc([N+](=O)[O-])ccc1NC(=O)C(Cl)Cl 4793286 HYMONJNSHNPRGN-UHFFFAOYSA-N 263.080 2.645 50 50 CFGA Cc1cccc(OCC(=O)N/N=C/c2ccccc2)c1 260085 HQEZYXSVKYFGGZ-GZTJUZNOSA-N 268.316 2.524 50 50 CFGA COCCOCP(=O)(c1ccccc1)c1ccccc1 3156684 HPTXJSUXUZDGBH-UHFFFAOYSA-N 290.299 2.621 50 50 CFGA Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)CCl)cc1 1319682436 JGIBHQXQWUETFJ-OAHLLOKOSA-N 295.810 2.784 50 50 CFGA O=C1S[C@H](Br)C(=O)N1c1ccccc1 977241 UIHNEVQRIPDFOQ-ZETCQYMHSA-N 272.123 2.607 50 50 CFGA N#CCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 1401026 CCYRDRJXORZVCA-XDHOZWIPSA-N 293.326 2.629 50 50 CFGA O=C(N/N=C/c1cccc(O)c1)[C@H]1C[C@H]1c1ccccc1 4188142 LFFBLYGCBPJLBH-DYFSNASRSA-N 280.327 2.646 50 50 CFGA CC[C@@H](Br)C(=O)N1CCc2ccccc21 32919898 KKHAKDWYZMWANQ-SNVBAGLBSA-N 268.154 2.749 50 50 CFGA CCOC1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)cc1 184583 FHCNIBSFLUXBIE-CQSZACIVSA-N 286.331 2.771 50 50 CFGA CC(C)(C)OC(=O)N/N=C(\N)COc1ccc(Cl)cc1 43769294 QRVLGWMUALFVBD-UHFFFAOYSA-N 299.758 2.516 50 50 CFGA COc1cc(NC(=O)[C@@H](C)Cl)c(OC)cc1Cl 19270931 VXFFIAHQMRPYBQ-ZCFIWIBFSA-N 278.135 2.923 50 50 CFGA C[C@H](Cl)C(=O)NC[C@@H]1C[C@]1(C)c1cccs1 1875364665 PSKXZJLEWJLBBO-AUTRQRHGSA-N 257.786 2.769 50 50 CFGA COc1ccc(C2=CCN(C(=O)[C@@H](C)Cl)C2)cc1 1875378190 WWJXOUYWTOFYHL-SNVBAGLBSA-N 265.740 2.548 50 50 CFGA CC(=O)N[C@H](O)C(Cl)(Cl)[C@@H](Cl)c1ccccc1 219732 DORJKYGYXJDYKI-VHSXEESVSA-N 296.581 2.595 50 50 CFGA CCOC(=O)CCCC[C@@H](Cl)C(=O)CCl 101364093 KODFTYULEJDLTQ-MRVPVSSYSA-N 255.141 2.525 50 50 CFGA CC1(C)CCCO[C@@H]1CI 1536221837 IYUAJCBALZRXOA-SSDOTTSWSA-N 254.111 2.627 50 50 CFGA N#C/C(=C(/O)C(F)(F)F)c1nc2ccccc2[nH]1 100439610 KQSPQFHBZOTGNC-TWGQIWQCSA-N 253.183 2.918 50 50 CFGA CC(C)=C1[C@H]2C3=C([C@H]4CC[C@H]3C4)[C@H]1[C@H]1C(=O)OC(=O)[C@@H]21 257357089 LYTGSSQGAGFBTP-NOPPEZEVSA-N 270.328 2.625 50 50 CFGA Cc1ccc(/C=N/NC(=O)COc2ccc(C)cc2)cc1 584639 JQFWCBWZMJAAER-WOJGMQOQSA-N 282.343 2.833 50 50 CFGA COC(=O)c1sccc1NC(=O)C(C)(C)CCl 2569404 LMCZNLXBELXCSE-UHFFFAOYSA-N 275.757 2.738 50 50 CFGA CCOc1ccc(C(=O)N/N=C(/C)c2cccc(N)c2)cc1 288686 ZYXIQSXHQAKPGI-UNOMPAQXSA-N 297.358 2.822 50 50 CFGA CCOC(=O)c1c(NC(=O)CCl)sc2c1CCC2 3885932 ZUCFVJPQTDOHSC-UHFFFAOYSA-N 287.768 2.591 50 50 CFGA CCOC(=O)N/N=C(\C)CC(=O)Nc1ccccc1Cl 4737311 FLRPLBLOWCOTPR-CXUHLZMHSA-N 297.742 2.791 50 50 CFGA BrCc1ccnc(Br)c1 39348613 MWSJMNJBKAPIOX-UHFFFAOYSA-N 250.921 2.739 50 50 CFGA CC[C@H](Br)C(=O)NCc1ccc(C)cc1 45796270 JKZYIOVUUVVREE-NSHDSACASA-N 270.170 2.785 50 50 CFGA Cn1cccc1/C=C(\C#N)c1nnc(-c2ccccc2)n1C 222146145 CFXFOEZKYGLQQX-SDNWHVSQSA-N 289.342 2.885 50 50 CFGA Cc1ccc(/C=N/NC(=O)Cc2cccs2)cc1 230761 RQQJAOZFHQAXRV-XNTDXEJSSA-N 258.346 2.749 50 50 CFGA C[C@H](Cl)C(=O)N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 1875375616 FZJAFBJNLBDCKH-GXFFZTMASA-N 294.782 2.566 50 50 CFGA CCCN(Cc1cnn(CC(C)C)c1)C(=O)CCl 1875376196 OQZDWZXPLNSWED-UHFFFAOYSA-N 271.792 2.517 50 50 CFGA C/C(=N\NC(=O)CN1CCCCC1)c1ccc(Cl)cc1 4956024 MJLMZOVOHXYDHP-SFQUDFHCSA-N 293.798 2.666 50 50 CFGA O=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccc(O)cc1 43761346 YBEMBWLVOXTRBC-VXLYETTFSA-N 293.326 2.566 50 50 CFGA CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1O 563223 CAPYSJSTWMGAAE-WOJGMQOQSA-N 298.342 2.863 50 50 CFGA O=C(Cc1ccccc1)N[C@H]1CCCC[C@H]1Cl 5736346 QSSLYFDFFVFMHS-OLZOCXBDSA-N 251.757 2.895 50 50 CFGA O=C(Cc1cccc2ccccc12)N/N=C/c1ccncc1 175287 PSSDPXRDVLKZCX-DEDYPNTBSA-N 289.338 2.928 50 50 CFGA COc1ccc(/C(C)=N\NC(=O)c2ccc(O)cc2)cc1 4964224 MINVANJRQWMLPD-BOPFTXTBSA-N 284.315 2.555 50 50 CFGA O=C(N/N=C/c1nc2ccccc2[nH]1)c1ccccc1Cl 4471290 CIWPMMBMAWWFPA-RQZCQDPDSA-N 298.733 2.980 50 50 CFGA COc1ccc(/C=N/NC(=O)OC(C)(C)C)cc1 2167541 IWKLCYXLUROGIV-NTEUORMPSA-N 250.298 2.554 50 50 CFGA O=C(N/N=C/[C@@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 4989649 LOYYQFJEEAQLIB-HGLKBHAMSA-N 273.292 2.667 50 50 CFGA OCCCC/C=C/CCI 43761495 UMKOHXVROZAICI-HNQUOIGGSA-N 254.111 2.530 50 50 CFGA O=C(N/N=C/c1ccc([N+](=O)[O-])s1)[C@@H]1[C@H]2CCCC[C@H]21 252320697 MWEPLDZUOTVQQC-LLCJGQOESA-N 293.348 2.543 50 50 CFGA Cc1ccc(NC(=O)NNC(=O)c2cccs2)cc1 370771 ZHTLSBATHZSNQU-UHFFFAOYSA-N 275.333 2.523 50 50 CFGA Cc1ccc([N+](=O)[O-])cc1NC(=O)OCCCl 2173670 DOIIBUFUZDBBEN-UHFFFAOYSA-N 258.661 2.691 50 50 CFGA CC(=C/c1ccccc1)/C=N/NC(=O)c1ccccn1 227939 QIVJPFTZBKAJPU-APKIYPECSA-N 265.316 2.901 50 50 CFGA O=C(N/N=C\c1ccccc1O)c1cccc2cc[nH]c12 16134328 VESQODFQAIJJNL-ZDLGFXPLSA-N 279.299 2.637 50 50 CFGA Cc1ccccc1CN[C@@H]1C[N+]2(CCl)CCC1CC2 1776003438 PFMGGCCILPPMBN-NLGTXKQRSA-N 279.835 2.890 50 50 CFGA O=C(N/N=C/c1ccccc1O)c1ccc2ccccc2n1 175157 MYBBRWFUBLGLOH-WOJGMQOQSA-N 291.310 2.704 50 50 CFGA O=C1CCCC[C@H](I)C1(F)F 1535542701 KUFPFIRHCCPUQP-YFKPBYRVSA-N 274.048 2.568 50 50 CFGA C/C(=N/NC(=O)Cc1ccc(Cl)cc1)c1ccccn1 12342873 ZGZFHMRTHMBODP-WQRHYEAKSA-N 287.750 2.818 50 50 CFGA C[C@H](Cl)C(=O)N1CCCN(C)c2cc(F)ccc21 1875363591 KZWUQIZEXSQCSR-VIFPVBQESA-N 270.735 2.626 50 50 CFGA CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)CCl 1319683133 XIOISBDMNITMNH-ZDUSSCGKSA-N 287.762 2.583 50 50 CFGA CCc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)s1 43753 ONZHQPIVGBECAA-LBPRGKRZSA-N 286.360 2.560 50 50 CFGA O=C1OC(=O)C(Cc2ccccc2)=C1Cc1ccccc1 100292694 LWCKJYBIJIELLM-UHFFFAOYSA-N 278.307 2.852 50 50 CFGA OB(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1 169745590 TWWQCBRELPOMER-UHFFFAOYSA-N 289.143 2.836 50 50 CFGA in-vitro CC[C@H](Br)C(=O)Nc1ccc2c(c1)OCO2 266498 GZQVKDBFMPWKSN-QMMMGPOBSA-N 286.125 2.527 50 50 CFGA C/C(=N/NC(=O)c1ccccc1N)c1ccc(F)cc1 4946323 ZWEUQYRQLFDHHB-ZDLGFXPLSA-N 271.295 2.562 50 50 CFGA COc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 70918 JULYGUIJHXRQJF-OAHLLOKOSA-N 296.326 2.510 50 50 CFGA Cn1c(C(=O)NN)cc2oc(-c3ccc(Cl)cc3)cc21 409418 ZNSDQJAYTQTGEM-UHFFFAOYSA-N 289.722 2.695 50 50 CFGA CC[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](C)[C@H]2C1 106229692 MLINCYMNYRQLLS-NQBHXWOUSA-N 266.348 2.769 50 50 CFGA Cc1ccc(I)c(C(=O)Cl)c1 34122545 OXNKNUPGTNVGHT-UHFFFAOYSA-N 280.492 2.979 50 50 CFGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc[nH]2)[C@H]2CCCC=C12 19860523 MUDRVGIGKNSODE-SWLSCSKDSA-N 289.342 2.608 50 50 CFGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccccc1F 241447 UBCRJVJDTNSKIO-VFZGTOFNSA-N 298.317 2.886 50 50 CFGA C/C(=N\NC(=O)c1cccc(C)c1)c1ccc(N)cc1 280883 SNIDPWQVBNBZCG-LDADJPATSA-N 267.332 2.731 50 50 CFGA O=C(Cl)C(=O)N(/N=C/c1ccccc1)c1ccccc1 71771524 IMUYNHBPNPRIPX-GZTJUZNOSA-N 286.718 2.819 50 50 CFGA COc1cc2c(cc1OC)[C@@H](NC(=O)CCl)CCCC2 1331707877 XCYAJJIBJCXCMG-LBPRGKRZSA-N 297.782 2.826 50 50 CFGA Cn1cccc1C(=O)N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 1875390554 MFEHUXVQOXXHAL-MVMXPLNYSA-N 271.364 2.567 50 50 CFGA C[C@H](Cl)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 19737269 FOPBVFOFCVMMDI-YFKPBYRVSA-N 263.080 2.814 50 50 CFGA O=C(CCl)N(Cc1cnn(-c2ccccc2)c1)C1CC1 1875370686 ZHPLOHCISFAFMP-UHFFFAOYSA-N 289.766 2.602 50 50 CFGA O=C(Cc1ccccc1)N[C@@H]1CCCC[C@H]1Cl 5736338 QSSLYFDFFVFMHS-CHWSQXEVSA-N 251.757 2.895 50 50 CFGA BrCc1ccncc1CBr 142565895 AZMPRMRIFWGAMD-UHFFFAOYSA-N 264.948 2.871 50 50 CFGA O=C(CN1CCCCCCC1)N/N=C/c1cccc(F)c1 175462 YBVMXVXRGIORBC-LDADJPATSA-N 291.370 2.542 50 50 CFGA CC(C)(C)OC(=O)N1CC[C@](C#N)(O[Si](C)(C)C)C1 204356277 PVWFGQURJWJHJF-CYBMUJFWSA-N 284.432 2.741 50 50 CFGA CC(C)(C)OC(=O)N1CCC[C@@H](Br)C1 65731322 YCUDHDNCZHPAJK-MRVPVSSYSA-N 264.163 2.781 50 50 CFGA CC[C@@H](Br)C(=O)N(C)c1ccc(F)cc1 34926259 HEDYTRLWIOSDBF-SNVBAGLBSA-N 274.133 2.962 50 50 CFGA C[C@@H](Cl)C(=O)N1CC[C@@H](Oc2cc(F)cc(F)c2)C1 1875367276 LDJDYXDAYSEATM-LDYMZIIASA-N 289.709 2.572 50 50 CFGA O=C(CCl)NCC[C@H](c1ccccc1)N1CCCC1 1875375326 ZPTQIBBBCLUTKK-CQSZACIVSA-N 280.799 2.569 50 50 CFGA CC[C@@H](Oc1ccc(C)cc1[N+](=O)[O-])C(=O)Cl 40451359 KGZQSORMRMLRPW-SECBINFHSA-N 257.673 2.826 50 50 CFGA Cc1c(C(=O)N/N=C/c2ccccc2)sc(=S)n1C 451197 FSHCOAXPOVADIS-RIYZIHGNSA-N 291.401 2.888 50 50 CFGA NNC(=O)c1ccc(-c2ccc(Br)cc2)s1 12957236 HFKIMTDDJJSIEY-UHFFFAOYSA-N 297.177 2.781 50 50 CFGA CCOc1ccc(NC(=O)[C@@H](C)Br)cc1 12411869 TYDDFVJJCATOIN-MRVPVSSYSA-N 272.142 2.807 50 50 CFGA in-vitro C[C@H](Cl)C(=O)N1C[C@@H]2CCCCC[C@@]2(C#N)C1 1875380656 VKIXMMHRRNYKSB-GMXVVIOVSA-N 254.761 2.546 50 50 CFGA Cc1cc(OCc2ccc(C(=O)NN)o2)cc(C)c1Cl 2554057 SPRKQXQIOQNNEI-UHFFFAOYSA-N 294.738 2.732 50 50 CFGA COC(=O)[C@@H](Cl)Cc1ccc(Cl)c([N+](=O)[O-])c1 2160363 XMWTZKWERMJYJN-QMMMGPOBSA-N 278.091 2.571 50 50 CFGA C/C(=N\NC(=O)C1CCCCC1)c1ccc(O)cc1O 100545054 GCWHULUGLKRVNZ-MHWRWJLKSA-N 276.336 2.518 50 50 CFGA COc1cc(CBr)cc(OC)c1OC 2581443 QEGDRYOJTONTLO-UHFFFAOYSA-N 261.115 2.607 50 50 CFGA in-vitro C[C@H](Br)C(=O)NCc1ccc(F)cc1Cl 1267971650 RIRYTQDZOKBTQZ-LURJTMIESA-N 294.551 2.879 50 50 CFGA Cc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1 288659 QCDVBLDPSSHIPX-MHWRWJLKSA-N 283.287 2.667 50 50 CFGA O=c1cc(CCl)occ1OCc1ccccc1 2532465 APNXHQOSBORUQT-UHFFFAOYSA-N 250.681 2.958 50 50 CFGA C[C@H]1CCC/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)C1 293377 UFVMCMOSKHKTNU-RYPPMWICSA-N 275.308 2.891 50 50 CFGA C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)CCl 1875374764 DMLRLCMWAYKAFY-SECBINFHSA-N 282.746 2.603 50 50 CFGA C[C@H](Cl)C(=O)NCc1csc(-c2ccco2)n1 1875364706 RAVKLIQUTZTPCA-ZETCQYMHSA-N 270.741 2.647 50 50 CFGA CCOc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1 298565 BZSQUJTVHJPSJP-QGOAFFKASA-N 282.343 2.778 50 50 CFGA CC1=C(C#N)C(c2ccc(O)cc2)C(C#N)=C(C)N1 19419646 NMIYIWDEXLKJGO-UHFFFAOYSA-N 251.289 2.674 50 50 CFGA O=C(CCl)N[C@H]1CCCc2cn(C3CCCC3)nc21 1875377146 AEUCEKXBSIGOQQ-LBPRGKRZSA-N 281.787 2.731 50 50 CFGA Cc1nc2sc3ccccc3n2c(=O)c1CCCl 332184 DDAUDRGZWYHJAY-UHFFFAOYSA-N 278.764 2.999 50 50 CFGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1CCCCC1 510965 SJCFFDKOTDWXIJ-XNTDXEJSSA-N 275.308 2.625 50 50 CFGA Cc1ccc(CNC(=O)[C@H](C)Br)cc1C 41695547 XZCPSUVOGKXWHJ-JTQLQIEISA-N 270.170 2.703 50 50 CFGA Cc1c(CNC(=O)CCl)oc2ccc(F)cc12 1320466781 PMVXEKLTSJDBMK-UHFFFAOYSA-N 255.676 2.735 50 50 CFGA O=C(N/N=C/c1ccc[nH]1)c1ccc(Br)cc1 275371 BYWLZMOZFJTZGG-OVCLIPMQSA-N 292.136 2.541 50 50 CFGA CN(C)C=C(C#N)Oc1cc(F)ccc1Br 1857777802 ZSPMSHBXZABZBC-UHFFFAOYSA-N 285.116 2.894 50 50 CFGA O=C(NCCCl)Nc1ccc(F)c(Br)c1 1848350240 PQURGMYNNPSLNF-UHFFFAOYSA-N 295.539 2.949 50 50 CFGA CCOc1ccccc1[C@@H]1CC(=O)NC(SC)=C1C#N 189618 FXECFNDOANDJII-NSHDSACASA-N 288.372 2.787 50 50 CFGA NNC(=O)CSc1nc(-c2ccc(Cl)cc2)cs1 337265 KRMOUHHBHSXYAB-UHFFFAOYSA-N 299.808 2.546 50 50 CFGA F[C@@H]1C[C@H]2[C@@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245255034 DVWLACCWRDCQEN-RSJOWCBRSA-N 285.590 2.787 50 50 CFGA COc1ccc(C(=O)NN=C2C[C@H]3CC[C@H]2C3)cc1OC 252347107 VYBBBOSWYNVACK-QWRGUYRKSA-N 288.347 2.610 50 50 CFGA Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NN)cc12 370147 YSSQJNRFRYJBMC-UHFFFAOYSA-N 293.370 2.910 50 50 CFGA CCOC(=O)c1c(NC(=O)CCl)sc(C)c1C 497778 DEYWPOMMNZZPJB-UHFFFAOYSA-N 275.757 2.719 50 50 CFGA CNc1ccccc1C(=O)N/N=C/c1ccc(OC)cc1 1741137 AAIOTHIYRBDZSP-WOJGMQOQSA-N 283.331 2.501 50 50 CFGA COc1cccc(/C=N/NC(=O)c2ccc(C)cc2)c1 61713 KOJPTXSEWSPHQE-GZTJUZNOSA-N 268.316 2.768 50 50 CFGA CC(C)(C)OC(=O)NNC(=O)c1cc2ccccc2o1 5496345 FQLBBPMTOMLGNX-UHFFFAOYSA-N 276.292 2.602 50 50 CFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1Cc1ccccc1 115415 JKWLATNBIZZMCQ-LBPRGKRZSA-N 280.327 2.576 50 50 CFGA O=C(N/N=C/CCc1ccccc1)c1cccc([N+](=O)[O-])c1 4996947 OZTFVXLCBPEOLB-GZTJUZNOSA-N 297.314 2.943 50 50 CFGA CC(C)(C)OC(=O)Nc1cnc(CBr)cn1 26522385 FPWNVMNGKNLYSC-UHFFFAOYSA-N 288.145 2.719 50 50 CFGA CCO[Si](CC[C@@H]1CC[C@@H]2O[C@H]2C1)(OCC)OCC 199826545 UDUKMRHNZZLJRB-IHRRRGAJSA-N 288.460 2.992 50 50 CFGA in-vitro Cc1cc(C(=O)N/N=C/c2ccc(N(C)C)cc2)c(C)o1 228304 VSCBAZSYEORNGW-LICLKQGHSA-N 285.347 2.726 50 50 CFGA O=C(NCCCl)Nc1cccc(Br)c1 3161313 QEEZRSXYYLAZRZ-UHFFFAOYSA-N 277.549 2.809 50 50 CFGA in-vitro N#CC1(C#N)[C@H]2/C=C\C=C/[C@H](Cl)/C=C\[C@@H]2C1(C#N)C#N 101137849 HFLMZNCJCDHLAR-OOMIJUJHSA-N 280.718 2.589 50 50 CFGA Br[C@H]1[C@H]2C[C@H]3[C@H]1[N@+]3(Cc1ccccc1)C2 255004278 XHYJGHLAIHMIPV-XOBFJNJYSA-N 265.174 2.551 50 50 CFGA FC(F)(F)C1(C(F)(F)F)[C@H]2C[C@H]3[C@@H]([C@H]2Cl)N31 252430801 KTZIHWKLLROSMN-YADXBNBASA-N 265.584 2.544 50 50 CFGA O=C=Nc1cc(Br)cnc1Br 958528036 NXPZXONATDLMRA-UHFFFAOYSA-N 277.903 2.574 50 50 CFGA C[C@H](Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3252743 GSRRUZUPEBWJRP-YFKPBYRVSA-N 263.080 2.814 50 50 CFGA in-vitro CCCCCOc1ccc(-c2ccc(B(O)O)s2)cc1 199487774 ZHKJKEJEICRSGV-UHFFFAOYSA-N 290.193 2.664 50 50 CFGA Br[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1Br 254519587 IZDDPSZQOJBKGK-VWDOSNQTSA-N 253.965 2.943 50 50 CFGA Cc1c(NC(=O)C(Cl)Cl)cccc1[N+](=O)[O-] 442361 RLYMRXAHKKWADR-UHFFFAOYSA-N 263.080 2.645 50 50 CFGA NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 3110195 POMGEBJEQZLUHG-UHFFFAOYSA-N 281.290 2.644 50 50 CFGA COC(=O)c1ccccc1NC(=O)C(C)(C)CCl 2569405 BYJFXGAAEPXDSE-UHFFFAOYSA-N 269.728 2.677 50 50 CFGA CCc1ccc(/C=N/NC(=O)c2cc(C3CC3)n[nH]2)cc1 5817791 YBYSREHLEHSHST-LICLKQGHSA-N 282.347 2.613 50 50 CFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1Cc1ccccc1 115418 JKWLATNBIZZMCQ-GFCCVEGCSA-N 280.327 2.576 50 50 CFGA O=C(CN1CCCCCC1)N/N=C/c1ccc(Cl)cc1 4990396 INZROLPFGKDYTH-GZTJUZNOSA-N 293.798 2.666 50 50 CFGA C[P+](CCC(=O)O)(c1ccccc1)c1ccccc1 100696929 BYSKDCZDLOFHAO-UHFFFAOYSA-O 273.292 2.760 50 50 CFGA N#CC(C#N)=CNc1ccc(I)cc1 10334678 RMAYOPJNGHWIII-UHFFFAOYSA-N 295.083 2.634 50 50 CFGA O=C(CBr)NCc1ccccc1C(F)(F)F 82511144 PSYPGPBCZFZZQI-UHFFFAOYSA-N 296.086 2.717 50 50 CFGA C[C@H](CCBr)NC(=O)OC(C)(C)C 95496259 BLROSIRAEKEFNI-SSDOTTSWSA-N 252.152 2.685 50 50 CFGA N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(N)=O 439240 PHIVNDOXOBANRV-OQLLNIDSSA-N 278.311 2.658 50 50 CFGA O=C(CCl)N[C@H](c1cc(F)ccc1F)C(F)F 1875366578 ZFZXPBQLKSUXGG-SECBINFHSA-N 269.625 2.626 50 50 CFGA O=C(CCl)N[C@@H](CC1CC1)c1ccc(Cl)cn1 1875378566 GMXCFZVUMCAFBB-NSHDSACASA-N 273.163 2.931 50 50 CFGA C[C@H](NC(=O)CCl)C12CC3CC(CC(C3)C1)C2 3886079 WKYMLOXQWMPBKY-BRZBPJHZSA-N 255.789 2.946 50 50 CFGA O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccco1 55072022 LMTCQJUYQQPCCP-UHFFFAOYSA-N 297.358 2.661 50 50 CFGA C=C(C)C(=O)OCCSSCCOC(=O)C(=C)C 38654784 CGDNFXSLPGLMHK-UHFFFAOYSA-N 290.406 2.606 50 50 CFGA Nc1cc(CBr)c(C(F)(F)F)cn1 238650972 UHZDLQHGYRMJMM-UHFFFAOYSA-N 255.037 2.578 50 50 CFGA OB(O)c1cccc(CCCCCCc2ccccc2)c1 725343257 LBBKPQIDBPGKNX-UHFFFAOYSA-N 282.192 2.712 50 50 CFGA O=C(N/N=C/c1cccc(O)c1)[C@H]1C[C@@H]1c1ccccc1 69661 LFFBLYGCBPJLBH-MAIUNSNDSA-N 280.327 2.646 50 50 CFGA Cc1cccc(C(=O)NNC(=O)c2cccc(Cl)c2)c1 95373 GHDCQRQAKQSROX-UHFFFAOYSA-N 288.734 2.723 50 50 CFGA CC(C)=NNC(=O)[C@H](C)Oc1ccccc1Cl 45068337 QSSPRYGEROJSPL-VIFPVBQESA-N 254.717 2.619 50 50 CFGA C[C@H](Cl)C(=O)N[C@@H](C)c1ccccc1-n1cccn1 1875363895 CWIIVYXWYHWSRN-QWRGUYRKSA-N 277.755 2.677 50 50 CFGA COc1ccc(/C=N/NC(=O)C2[C@H]3CCCC[C@H]23)cc1 100300374 NFBMOQRXFAPICQ-JUACWREWSA-N 272.348 2.582 50 50 CFGA O=C(N/N=C/c1ccc(O)cc1)c1ccc(Cl)cc1 28163 LTZJBNXDRVGSJU-CXUHLZMHSA-N 274.707 2.810 50 50 CFGA N#C/C(=C\c1cccnc1)C(=O)Nc1ccc(F)cc1 445235 QJLCQAXVOVJXEJ-XYOKQWHBSA-N 267.263 2.766 50 50 CFGA O=C(N/N=C/c1ccccc1Cl)[C@H]1CC12CCC2 4956425 XYYRJNOPDNMDMF-LKBVRNOZSA-N 262.740 2.980 50 50 CFGA CCc1nc(C)c([C@@H](C)N(C)C(=O)CCl)s1 1336909938 IGZPPABWDBOGPI-MRVPVSSYSA-N 260.790 2.772 50 50 CFGA COc1cc(OC)c(NC(=O)[C@H](C)Cl)cc1Cl 19397671 CIKNJZYSUKFIRQ-LURJTMIESA-N 278.135 2.923 50 50 CFGA CC(=O)N/N=C/c1ccccc1OCc1ccccc1 4372641 AJJLQXYPMLAIDS-GZTJUZNOSA-N 268.316 2.736 50 50 CFGA Cc1ccn2c(C(=O)N/N=C\c3ccccc3)c(C)nc2c1 31862322 DRRIYVPCRPTBAM-WQRHYEAKSA-N 292.342 2.715 50 50 CFGA O=C(N/N=C/c1cccc(Cl)c1)c1ccc(O)cc1O 2568838 FXKRXNJDPPXGEF-LZYBPNLTSA-N 290.706 2.515 50 50 CFGA CCCc1[nH]nc2c1[C@@H](c1ccccc1)C(C#N)=C(N)O2 4453456 GORPQIWGUYANRU-ZDUSSCGKSA-N 280.331 2.580 50 50 CFGA CC(C)(CCl)C(=O)Nc1cccc([N+](=O)[O-])c1 2569401 XSQUKRYVPYMVOA-UHFFFAOYSA-N 256.689 2.798 50 50 CFGA COc1ccc([C@@H]2C(C#N)=C(N)Oc3cccc(O)c32)cc1 271439 XMROZBZTONELSX-OAHLLOKOSA-N 294.310 2.619 50 50 CFGA NNC(=O)c1cc(-c2ccco2)nc2c(Cl)cccc12 2568927 CAQHJLOLRYUGMO-UHFFFAOYSA-N 287.706 2.752 50 50 CFGA CC(C)(C)OC(=O)N1CCC[C@H]1CBr 34372740 OSMADJAEHVCZKN-QMMMGPOBSA-N 264.163 2.781 50 50 CFGA in-vitro CC/C(=N\NC(=O)OC(C)(C)C)NC1CCCC1 43769310 LAVPQFBKGSGBMO-UHFFFAOYSA-N 255.362 2.767 50 50 CFGA CC1(C)c2ccccc2-c2c1cc(B(O)O)c1ccccc21 203935531 GZOLLZQYAWWSKX-UHFFFAOYSA-N 288.155 2.826 50 50 CFGA Cc1cccc(N2C(=O)S[C@H](Br)C2=O)c1 1232451 KJFRLAXQKZQWML-QMMMGPOBSA-N 286.150 2.916 50 50 CFGA N#CC(C(=O)c1ccco1)=C1Nc2ccccc2N1 226452 ACUMSLCCUFXPHD-UHFFFAOYSA-N 251.245 2.735 50 50 CFGA O=C1CCCC[C@@H](I)C1(F)F 1535542700 KUFPFIRHCCPUQP-RXMQYKEDSA-N 274.048 2.568 50 50 CFGA C/C(=N/NC(=O)c1ccc(O)cc1)c1cccs1 4992183 HFSNLFUJGCTBPZ-ZROIWOOFSA-N 260.318 2.608 50 50 CFGA O=C(CCl)NCc1ccc2[nH]c3c(c2c1)CCCC3 270462 XESJSIOJQFTTFQ-UHFFFAOYSA-N 276.767 2.902 50 50 CFGA Cc1ccc(NC(=O)C(Cl)Cl)cc1[N+](=O)[O-] 474588 SEMWREXFMZTKSW-UHFFFAOYSA-N 263.080 2.645 50 50 CFGA O=C(N/N=C/C=C/c1ccccc1)c1cccnc1 1994996 SVJATTOEWSHGJI-BAGULLTOSA-N 251.289 2.511 50 50 CFGA C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)CCl 1875374765 DMLRLCMWAYKAFY-VIFPVBQESA-N 282.746 2.603 50 50 CFGA CC1(C)CC(=O)[C@@H](C(=O)c2ccccc2)C(=O)[C@H]1Cl 100319393 BLFQLOXHVZSMJH-SMDDNHRTSA-N 278.735 2.661 50 50 CFGA O=C(CCl)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 1327084373 BFJJEFKNRGOSQU-OLZOCXBDSA-N 283.755 2.546 50 50 CFGA C[C@@H]1CCC/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)C1 293382 UFVMCMOSKHKTNU-ZYUPPKHXSA-N 275.308 2.891 50 50 CFGA CO[C@@H](C)P(=O)(c1ccccc1)c1ccccc1 101002042 DMQIMZHESVGADX-CYBMUJFWSA-N 260.273 2.993 50 50 CFGA CC[C@H](C(=O)O)P(=O)(c1ccccc1)c1ccccc1 296250 FUVUTQFTUFYTAS-OAHLLOKOSA-N 288.283 2.864 50 50 CFGA CN(CCCc1cc(-c2ccccc2)no1)C(=O)CCl 1336910203 RCYRJUCCCJUIHO-UHFFFAOYSA-N 292.766 2.971 50 50 CFGA CC(C)C[C@@H](C)C(=O)NCCSSCCC(=O)O 1875354776 OSULJGKBHYZEBN-SNVBAGLBSA-N 293.454 2.641 50 50 CFGA O=C(CBr)c1ccc2ncccc2c1 87224669 SFKWDUHPTCKUMZ-UHFFFAOYSA-N 250.095 2.812 50 50 CFGA COc1cc(OC)c(C=C(C#N)C#N)cc1Br 46087 RUQRCPKBMXBHTE-UHFFFAOYSA-N 293.120 2.897 50 50 CFGA Cc1cc(/C=N/NC(N)=O)c(C)n1C1CCCCC1 507324 OPJPYFKODQQFQX-CXUHLZMHSA-N 262.357 2.612 50 50 CFGA CC(C)(C)c1n[nH]c2c1[C@@H](c1ccoc1)C(C#N)=C(N)O2 6720088 VIQMJBYAHSWKBD-JTQLQIEISA-N 284.319 2.518 50 50 CFGA C[C@H](Cl)C(=O)N[C@H](C)Cc1cn(C)c2ccc(F)cc12 1875377326 CAKXUTZMWQFORY-ZJUUUORDSA-N 296.773 2.992 50 50 CFGA CC(=O)N[C@@H](O)C(Cl)(Cl)[C@@H](Cl)c1ccccc1 219734 DORJKYGYXJDYKI-UWVGGRQHSA-N 296.581 2.595 50 50 CFGA NC(=O)N/N=C/c1c2ccccc2cc2ccccc12 295074 UDRHLNLVJZOJSF-VCHYOVAHSA-N 263.300 2.995 50 50 CFGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccco2)[C@H]2CCCC=C12 19787257 DMVSJYJUZKLOEX-WFASDCNBSA-N 290.326 2.873 50 50 CFGA CC[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](C)[C@H]2C1 6265722 MLINCYMNYRQLLS-DMDPSCGWSA-N 266.348 2.769 50 50 CFGA N#CC1(C#N)[C@H]2/C=C\C=C/[C@@H](Cl)/C=C\[C@@H]2C1(C#N)C#N 101137852 HFLMZNCJCDHLAR-XUPUCHDLSA-N 280.718 2.589 50 50 CFGA COc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 256962 BWHBNCVJTADSGR-LDADJPATSA-N 297.358 2.525 50 50 CFGA O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1cccc(F)c1 298737 QDYQZMWFIYLMNX-VGOFMYFVSA-N 293.279 2.559 50 50 CFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 43658 FUELDWXQHLFVSS-CQSZACIVSA-N 284.290 2.640 50 50 CFGA COc1cc2c(cc1OC)[C@H](NC(=O)CCl)CCCC2 1331707876 XCYAJJIBJCXCMG-GFCCVEGCSA-N 297.782 2.826 50 50 CFGA CN(NC(=O)C[C@H]1OCCc2ccccc21)c1ccccc1 734542277 DYVATLMCCQELIU-QGZVFWFLSA-N 296.370 2.858 50 50 CFGA O=C(CBr)c1cc(F)c(F)c(F)c1 16125718 BZGHLWOQKOGDRK-UHFFFAOYSA-N 253.017 2.682 50 50 CFGA O=C(CCl)N(Cc1cc2ccccc2[nH]1)C1CC1 1875370144 DDJQMANGZXDGAJ-UHFFFAOYSA-N 262.740 2.898 50 50 CFGA CC1(C)CC(=O)C/C(=N/NC(=O)C2[C@H]3CCCC[C@H]23)C1 100315848 PPMVTAATPZLMJM-WKUUQJLDSA-N 276.380 2.674 50 50 CFGA Cc1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)o1 431906 SBRNAXJZJLMJCC-CXUHLZMHSA-N 276.723 2.934 50 50 CFGA Cc1ccc(/C=N/NC(=O)COc2ccc(C)c(C)c2)o1 59454 YIQCVMHNHRCXJC-RQZCQDPDSA-N 286.331 2.734 50 50 CFGA CC(C)(C)n1nc2c(c1NC(=O)[C@H](F)Cl)CSC2 2325901661 RATOFVAVAMGXSK-QMMMGPOBSA-N 291.779 2.858 50 50 CFGA C[C@H](Oc1ccccc1Br)C(=O)Cl 40451430 BIHQKVLZTJDZQP-LURJTMIESA-N 263.518 2.982 50 50 CFGA C/C(=N\NC(=O)CNc1ccccc1)c1ccccc1 4713446 DFEIXSHCMPQGMH-QGOAFFKASA-N 267.332 2.639 50 50 CFGA O=C(Cl)c1cc(C(=O)Cl)n(Cc2ccccc2)n1 100661408 HKIAQNGTVHKSQI-UHFFFAOYSA-N 283.114 2.689 50 50 CFGA CCOC(=O)N/N=C/c1ccc(Br)cc1 298496 MTFQUNQOXILAKV-KPKJPENVSA-N 271.114 2.529 50 50 CFGA CCOC(=O)c1c([C@H](C)Br)noc1C 2172370 OQGRLTOUYCILCK-YFKPBYRVSA-N 262.103 2.616 50 50 CFGA O=C(O)CCCP(=O)(c1ccccc1)c1ccccc1 100291030 NOANBYYFJGONTF-UHFFFAOYSA-N 288.283 2.865 50 50 CFGA O=C(Cl)c1cccc(-c2noc(CCl)n2)c1 34924968 HJRGPUANWLVKTD-UHFFFAOYSA-N 257.076 2.854 50 50 CFGA O=C(N/N=C\c1ccc(Cl)c(Cl)c1)c1cnccn1 30696566 OHSPRIWQBFCYPV-FMQZQXMHSA-N 295.129 2.547 50 50 CFGA O=C(CCCCl)n1ncc2cc([N+](=O)[O-])ccc21 2026472 OFKCGPJHQNWYMX-UHFFFAOYSA-N 267.672 2.604 50 50 CFGA O=C(CCl)NCc1cc(Cl)ccc1OC(F)F 1319682533 MZJSRAZCVBYXJO-UHFFFAOYSA-N 284.089 2.796 50 50 CFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccs1 76465 QNKLFXOIWHDUEL-LBPRGKRZSA-N 272.329 2.563 50 50 CFGA C[C@@]1(C(=O)NCc2cccs2)C[C@H]1Br 864059128 YQEOUFQEBQKPAE-PSASIEDQSA-N 274.183 2.538 50 50 CFGA O=C(CI)c1c[nH]c2ccccc12 39188404 AABAZUKHVXELTG-UHFFFAOYSA-N 285.084 2.786 50 50 CFGA COC(=O)c1cc(F)c(CBr)cc1F 113663371 BUGNGBVWYRKVFF-UHFFFAOYSA-N 265.053 2.646 50 50 CFGA C=C1CC(C(=O)N/N=C/c2cccc(Br)c2)C1 275658 WKGZASLWJPJNHU-OVCLIPMQSA-N 293.164 2.865 50 50 CFGA Cc1n[nH]c2c1[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 18283445 LFMRJDCCWCMETI-LBPRGKRZSA-N 286.722 2.590 50 50 CFGA O=C(CCl)N[C@H](c1ccccc1)C1CCOCC1 1323269121 JTYOBTRMWRMPHX-CQSZACIVSA-N 267.756 2.509 50 50 CFGA C[C@H](Cl)C(=O)Nc1ccnc(OCC(F)(F)F)c1 1875377965 SHZFZTWPTVKJJX-LURJTMIESA-N 282.649 2.589 50 50 CFGA CC[C@H](Br)C(=O)Nc1ccc(OC)cc1 266485 RDJQQRGZUVZLOQ-JTQLQIEISA-N 272.142 2.807 50 50 CFGA O=C(C(Cl)Cl)N1CC[C@@H](c2ccccc2)C1 615967 GWGIAEUFYRGILA-SNVBAGLBSA-N 258.148 2.806 50 50 CFGA CC1(C)O[C@@H](c2cccnc2)CN1C(=O)C(Cl)Cl 148385581 YYOLZWRUBUHMOR-SECBINFHSA-N 289.162 2.521 50 50 CFGA C[C@@H]1CCCN(Cc2ccc(CNC(=O)CCl)cc2)C1 238851215 FTZJSJQGYPYLHY-CYBMUJFWSA-N 294.826 2.774 50 50 CFGA COc1ccc(C(=O)N/N=C\c2sccc2C)cc1 4656592 VNVNPKGTKHDWRQ-DHDCSXOGSA-N 274.345 2.829 50 50 CFGA COc1ccccc1[C@H](CNC(=O)CCl)OC(C)C 1875377509 GCVZCLPRWOKTRX-ZDUSSCGKSA-N 285.771 2.516 50 50 CFGA CCOC(=O)c1c(N)sc2c1CCC(C=O)=C2Cl 4951511 AJGLQBKUPAWTFH-UHFFFAOYSA-N 285.752 2.602 50 50 CFGA N#CC1=C(S)NC(=O)C[C@@H]1c1ccccc1Cl 8973111 GWXBVHXMWBYSCL-MRVPVSSYSA-N 264.737 2.608 50 50 CFGA CC[C@H](Br)C(=O)Nc1ccccc1F 9096060 OCMOXAURTGESQQ-ZETCQYMHSA-N 260.106 2.938 50 50 CFGA O=C(NNc1ccccc1)C1[C@H]2[C@H]3C[C@@H]4[C@@H]2[C@@H]2C[C@H]4[C@H]3[C@@H]12 584907720 XOBOZBKMUKCWKD-LIVBVXJFSA-N 280.371 2.524 50 50 CFGA O=C(Cc1ccc(Cl)cc1)N/N=C/c1cccc(O)c1 175358 RYKVDNHVCLLNNF-LICLKQGHSA-N 288.734 2.738 50 50 CFGA Cc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)c(C)c1 42439 TUVFQDXDUQYEJA-UHFFFAOYSA-N 282.372 2.522 50 50 CFGA C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccco1 2674411 CAHXWMWMIHWVCC-VCBXAZPMSA-N 292.722 2.851 50 50 CFGA CO[C@@]1(C)OO[C@@](C)(O)C12[C@H]1CC[C@H]2c2ccccc21 247887513 SBLJMFQAJJHXCN-XQLPTFJDSA-N 276.332 2.681 50 50 CFGA N#Cc1ccc([N+](=O)[O-])c(N2CCSSCC2)c1 888093247 VJQGNUGQMBGXBF-UHFFFAOYSA-N 281.362 2.668 50 50 CFGA Cc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1 38801 WCZDODNEUXVJGQ-MRXNPFEDSA-N 277.327 2.795 50 50 CFGA Cc1ccc(OCC(=O)N/N=C\c2cccs2)cc1 4990002 VFHRCUIWJAEBJL-DHDCSXOGSA-N 274.345 2.586 50 50 CFGA CC(C)(C)OC(=O)N1CC[C@@H](Br)[C@H](F)C1 675082301 YATYOTHYSYTNIS-HTQZYQBOSA-N 282.153 2.729 50 50 CFGA C[C@@H](NC(=O)CCl)c1nc2c(s1)CCCCC2 1875367995 HVKSTYLRXHOZRX-MRVPVSSYSA-N 272.801 2.828 50 50 CFGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccncc1 61171 WQSHHAVECQJKLX-YBFXNURJSA-N 291.310 2.704 50 50 CFGA in-vitro CCCN1CCC(=NNC(=O)c2cccc(Cl)c2)CC1 5008296 VURWBIBQZHGNOS-UHFFFAOYSA-N 293.798 2.932 50 50 CFGA C/C(CCn1c(=S)sc2ccccc21)=N\NC(N)=O 5494602 BJOSFPWQTARXLL-RIYZIHGNSA-N 294.405 2.867 50 50 CFGA C[C@H](Cl)C(=O)N[C@H]1CCc2ccccc2-n2ccnc21 1875380497 QSJQXAGGZRUPCY-JQWIXIFHSA-N 289.766 2.603 50 50 CFGA O=C(Cl)c1cc(I)ccc1F 2243102 CEMYZMDITJKYDA-UHFFFAOYSA-N 284.455 2.809 50 50 CFGA CC(C)[C@@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 4011398 VJYKIYYCRDQCAM-GFCCVEGCSA-N 282.299 2.619 50 50 CFGA N#C/C(=C/c1cccs1)C(=O)NCc1ccco1 6222001 KIHCJUMGRQAAHK-YFHOEESVSA-N 258.302 2.564 50 50 CFGA Oc1nc(C(F)(F)F)ccc1CBr 238681512 ASILKPUCZGSPIT-UHFFFAOYSA-N 256.021 2.701 50 50 CFGA CN(C)c1ccc(/C=N/NC(=O)CCc2ccccc2)cc1 253445 AFLJZVBSXIRROO-XMHGGMMESA-N 295.386 2.836 50 50 CFGA C[C@H](/C=N/NC(=O)c1cccnc1)c1ccccc1 438671 KUOPGUYWAUMCRG-YXHQGMJNSA-N 253.305 2.601 50 50 CFGA C/C(=N\NC(=O)c1ccc2[nH]cnc2c1)c1cccs1 13109085 SPLVKFWDZYZSKR-RQZCQDPDSA-N 284.344 2.778 50 50 CFGA C[C@H](Cl)C(=O)N1CCC[C@H]1C[C@H](O)c1cccs1 1875364248 LQEQYKHBTDEXGP-DCAQKATOSA-N 287.812 2.790 50 50 CFGA CC(C)(C)OC(=O)N1CCC[C@@H]1CBr 2576139 OSMADJAEHVCZKN-MRVPVSSYSA-N 264.163 2.781 50 50 CFGA Br[C@@H]1[C@@H](Br)[C@H]2C=C[C@H]1C2 105255784 QMXMUMFLBFAAGK-AXMZGBSTSA-N 251.949 2.719 50 50 CFGA C[C@H](Cl)C(=O)N1C[C@@H]2CCCCC[C@]2(C#N)C1 1875380657 VKIXMMHRRNYKSB-GVXVVHGQSA-N 254.761 2.546 50 50 CFGA CC(C)N1CCN(C(=O)[C@H](C)Cl)Cc2ccccc21 1875377819 ONHMSGRBZRQNID-LBPRGKRZSA-N 280.799 2.871 50 50 CFGA O=C(CCl)NCc1ccnc(Oc2ccccc2F)c1 1875377521 GJKMLSZJZXICQY-UHFFFAOYSA-N 294.713 2.868 50 50 CFGA O=C([C@H](F)Cl)N1CCN(C2CC2)c2c(F)cccc21 2325898512 IADRPMUEAICUFF-LBPRGKRZSA-N 286.709 2.676 50 50 CFGA O=C(NNC(=O)c1cccc(Cl)c1)c1cccc(F)c1 435759 YIMOPWIQIGJBKN-UHFFFAOYSA-N 292.697 2.554 50 50 CFGA Nc1ccc(CBr)c(C(F)(F)F)n1 238584356 YXJJBLKTBHXSOL-UHFFFAOYSA-N 255.037 2.578 50 50 CFGA FC(F)(F)C1(C(F)(F)F)[C@H]2C[C@H]3[C@@H]([C@H]2Cl)[N@@]31 1857524885 KTZIHWKLLROSMN-GEODADPWSA-N 265.584 2.544 50 50 CFGA COc1ccc(/C=N/NC(=O)Nc2ccccc2)cc1O 498361 DBYGGPLBFRSSDE-MHWRWJLKSA-N 285.303 2.556 50 50 CFGA O=C(CCl)N1CC2(CCC2)C[C@H]1C(F)(F)F 1875378207 XIYFGWUCJIARKI-ZETCQYMHSA-N 255.667 2.559 50 50 CFGA Cc1cc(NC(=O)CCl)ccc1Br 3289333 LIUANGIAAGYVOP-UHFFFAOYSA-N 262.534 2.935 50 50 CFGA CCOc1ccc(/C=N/NC(=O)c2ccccc2)cc1OC 43444 BUHMFHFASXQKRQ-LDADJPATSA-N 298.342 2.858 50 50 CFGA CC(C)[C@@H](C)N(Cc1ccns1)C(=O)CCl 1875381624 BJFSUTZGSIGHHB-SECBINFHSA-N 260.790 2.755 50 50 CFGA Cc1nc(C#N)c(SSc2oc(C)nc2C#N)o1 1857800590 IDONIQWKBLPHAP-UHFFFAOYSA-N 278.318 2.822 50 50 CFGA Cc1ccc(NCC(=O)N/N=C/c2ccccc2O)c(C)c1 358253 VGLJYUALFHTVFQ-VXLYETTFSA-N 297.358 2.571 50 50 CFGA COc1ccccc1/C=N/NC(=O)c1cccc2cc[nH]c12 434882 ALRZXJDLVXHQBM-YBFXNURJSA-N 293.326 2.940 50 50 CFGA O=C(N/N=C/c1cccc2cccnc12)c1ccccc1 434822 NVWODBUOLAQKHX-XDHOZWIPSA-N 275.311 2.999 50 50 CFGA CCCCC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 2859994 WRDAKEIDYYBEGK-UHFFFAOYSA-N 276.380 2.935 50 50 CFGA CCC(CC)[C@@H](CNC(=O)[C@@H](C)Cl)N1CCCC1 1875364096 DKTIRSYLHLQYCY-DGCLKSJQSA-N 274.836 2.631 50 50 CFGA C[C@H](Cl)C(=O)N1Cc2ccccc2OC(C)(C)C1 1875377895 QLCNSJIJUNTDEN-JTQLQIEISA-N 267.756 2.814 50 50 CFGA C[C@H](Cl)C(=O)N1CCO[C@@H](c2ccc(Cl)s2)C1 1875364171 HBAAGMUEZMJRBK-JGVFFNPUSA-N 294.203 2.929 50 50 CFGA COC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 5660055 ZMXDIXKWWXDNMP-CSKARUKUSA-N 298.254 2.935 50 50 CFGA C/C(=N\NC(=O)c1cc(-c2ccco2)n[nH]1)c1ccccc1 12362461 SCVNFJPMPRUOII-GZTJUZNOSA-N 294.314 2.824 50 50 CFGA CCO[C@@H](C)c1nc(CN(C)C(=O)[C@H](C)Cl)cs1 1875364534 UOECZYVKBAKCNO-IUCAKERBSA-N 290.816 2.826 50 50 CFGA Cc1cccc(NCC(=O)N/N=C/c2ccccc2)c1 220189 PSXYMXBZOCKFAG-WOJGMQOQSA-N 267.332 2.557 50 50 CFGA COc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1O 2504524 UQAOPYDKTSVAIA-YRNVUSSQSA-N 259.305 2.923 50 50 CFGA C[C@H](Cl)C(=O)NC[C@H]1C[C@@]1(C)c1cccs1 1875364668 PSKXZJLEWJLBBO-YGOYTEALSA-N 257.786 2.769 50 50 CFGA CC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1ccc(O)cc1 4946514 FTTUNKXWVAHZQX-AWEZNQCLSA-N 286.356 2.607 50 50 CFGA COc1ccc(/C=N/NC(=O)c2ccc(C)s2)cc1 1002155 YCIQCPCHXYQLFB-OQLLNIDSSA-N 274.345 2.829 50 50 CFGA CC1(C)CC(=O)C/C(=N/NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)C1 252320717 PPMVTAATPZLMJM-BCPQNBEUSA-N 276.380 2.674 50 50 CFGA C/C(=N\NC(=O)c1cc(C(C)C)n[nH]1)c1cccs1 13113853 BWBUORCJHAHWOT-NTEUORMPSA-N 276.365 2.749 50 50 CFGA O=C(Nc1cc(F)cc(N2CCCC2)c1)[C@@H](F)Cl 2325898450 DBYXWWXCLZVBHN-LLVKDONJSA-N 274.698 2.899 50 50 CFGA Cc1n[nH]c(C)c1CCC(=O)N/N=C/C=C/c1ccccc1 5203856 PTTOVMOORFUEHB-PXYULHTISA-N 296.374 2.775 50 50 CFGA Cc1ccc(P(=O)(CCCO)c2ccc(C)cc2)cc1 2919408 WQDSIMIOVOLDJA-UHFFFAOYSA-N 288.327 3.000 50 50 CFGA O=C(N/N=C/c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 493122 OGGKFAULSBCNTR-KPIYYBAOSA-N 264.328 2.940 50 50 CFGA CC(C)[C@H](CO)NC(=O)CCCC[C@H]1CCSS1 606440380 GCWMERSAJNFQBB-RYUDHWBXSA-N 291.482 2.834 50 50 CFGA C[C@H](Cl)C(=O)NC(C)(C)c1ccc(F)cc1F 1875389768 KNMWWPOGGRYWBZ-ZETCQYMHSA-N 261.699 2.943 50 50 CFGA COc1ccc2c(c1)CCC[C@@H](NC(=O)[C@@H](C)Cl)C2 1875370125 CCVXEXODWPZOOZ-ZWNOBZJWSA-N 281.783 2.686 50 50 CFGA O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C3=C([C@H]4CC[C@H]3C4)[C@H]2C12CCCC2 257356265 HDVNQYSVUHDHQO-DNGGIMRHSA-N 284.355 2.849 50 50 CFGA COc1cccc(/C=N/NC(=O)c2cccs2)c1 232476 SEPQKFALACHOMG-NTEUORMPSA-N 260.318 2.521 50 50 CFGA C[C@@H](Cl)C(=O)NC[C@H](O)c1cc2ccccc2s1 1875364622 ZXDJYJWULWEDSQ-SCZZXKLOSA-N 283.780 2.678 50 50 CFGA COc1ccccc1C(=O)N/N=C(\C)c1ccc(C)o1 432819 LKWXQLUNBPHANM-LFIBNONCSA-N 272.304 2.751 50 50 CFGA COC(=O)[C@H](Cl)Cc1ccc(Cl)c([N+](=O)[O-])c1 2160361 XMWTZKWERMJYJN-MRVPVSSYSA-N 278.091 2.571 50 50 CFGA C[C@H](NC(=O)CCl)c1cc(Cl)cc2c1OCC2 1354192306 DIMUTHZUULQSQK-ZETCQYMHSA-N 274.147 2.691 50 50 CFGA Cc1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1 273646 WPGCBFWORYGIHN-LICLKQGHSA-N 256.280 2.898 50 50 CFGA CC(C)C[C@H](C)C(=O)NCCSSCCC(=O)O 1875354775 OSULJGKBHYZEBN-JTQLQIEISA-N 293.454 2.641 50 50 CFGA COc1cccc(/C=N/NC(=O)C2CCCCC2)c1OC 6762350 RPQPKWSYAVHKHP-GZTJUZNOSA-N 290.363 2.734 50 50 CFGA CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)CCl 2567655 ZNJWTNDBZSOFFP-VIFPVBQESA-N 263.765 2.734 50 50 CFGA in-vitro C[C@@H](Cc1c[nH]c2cc(F)c(F)cc12)NC(=O)CCl 1875367759 KKAJZWBBEVDCLZ-ZETCQYMHSA-N 286.709 2.732 50 50 CFGA COC(=O)[C@@H](Br)c1ccccc1Cl 9428926 HMBUCZUZRQQJQD-QMMMGPOBSA-N 263.518 2.949 50 50 CFGA in-vitro C[C@@H](Oc1cccc(Br)c1)C(=O)Cl 26470353 LQURBTMGIIUNQB-ZCFIWIBFSA-N 263.518 2.982 50 50 CFGA CCCc1cc(C(=O)N/N=C/c2ccccn2)cs1 2738068 ZHVDRVJTKASQCJ-CXUHLZMHSA-N 273.361 2.860 50 50 CFGA O=C(N/N=C/c1ccco1)c1cccc(Br)c1 59583 DMFLZTOCPPEFDB-RIYZIHGNSA-N 293.120 2.806 50 50 CFGA CC1(C)CC(=O)C/C(=N/NC(=O)Nc2ccccc2)C1 100315826 ZJAVAECSIQTJER-ATVHPVEESA-N 273.336 2.943 50 50 CFGA C[C@@H](NC(=O)CCl)c1cc(Cl)cc2c1OCC2 1354192305 DIMUTHZUULQSQK-SSDOTTSWSA-N 274.147 2.691 50 50 CFGA C[C@@H](NC(=O)CCl)c1nnc(-c2ccccc2F)s1 1875367964 DLCOEUZJOZVTFQ-SSDOTTSWSA-N 299.758 2.760 50 50 CFGA C[C@H](Br)C(=O)c1ccccc1[N+](=O)[O-] 71772477 UNNQPMLKNZXZQT-LURJTMIESA-N 258.071 2.561 50 50 CFGA CC/C(Cc1ccccc1)=N/NC(=O)c1cccnc1 175211 BBPMOZHKYBADCQ-SDXDJHTJSA-N 267.332 2.820 50 50 CFGA O=C(NCc1cccc(F)c1)[C@H]1CCCSS1 1875388228 RXWIBYIVJHHKTB-LLVKDONJSA-N 271.382 2.986 50 50 CFGA CC(C)(C)OC(=O)C[C@H]1C[C@@H](CCl)OC(C)(C)O1 22001518 TXLXWCARAPIXGH-ZJUUUORDSA-N 278.776 2.867 50 50 CFGA in-vitro COC[C@@H](C)N(C(=O)CCl)c1c(C)csc1C 2382773 JLYFCTQDENRSOL-SECBINFHSA-N 275.801 2.972 50 50 CFGA biogenic,in-vitro CC(C)(C)OC(=O)N1C[C@@H](CBr)OC1(C)C 261507505 JHKBXTJHHHNYQM-MRVPVSSYSA-N 294.189 2.753 50 50 CFGA C[C@H](Cl)C(=O)NC[C@@H]1C[C@@]1(C)c1cccs1 1875364666 PSKXZJLEWJLBBO-HOTUBEGUSA-N 257.786 2.769 50 50 CFGA O=C(CBr)Nc1ccc(Br)cc1 1655496 FDPCSKPUJUALLE-UHFFFAOYSA-N 292.958 2.783 50 50 CFGA CN(C(=O)CCl)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 1875377760 MZRKITYNRFRLBL-OLZOCXBDSA-N 285.746 2.743 50 50 CFGA COc1ccc2nc(-c3ccccc3)cc(C(=O)NN)c2c1 272081 MJRNFGQEBMGYMG-UHFFFAOYSA-N 293.326 2.514 50 50 CFGA O=C(NN=C1CCCCC1)C(=O)Nc1ccc(Cl)cc1 4611377 HVFWCULAGHADPK-UHFFFAOYSA-N 293.754 2.715 50 50 CFGA CC1CCN(Cc2csc(NC(=O)CCl)n2)CC1 238854079 MQMMGJSKUKSQBX-UHFFFAOYSA-N 287.816 2.552 50 50 CFGA CCOc1ccc(C(=O)N/N=C(/C)c2ccc(N)cc2)cc1 288683 MDSJGZYVQGOMLY-UNOMPAQXSA-N 297.358 2.822 50 50 CFGA CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1)C(C#N)=C(N)O2 35089 XEVFPPWWORQUPK-GFCCVEGCSA-N 294.358 2.925 50 50 CFGA Cc1ccc(C)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c1 42572 WTLPGMMDNZFSJH-AWEZNQCLSA-N 280.331 2.553 50 50 CFGA O=C1C[C@H]([C@H]2Cc3cccc4cccc2c34)C(=O)O1 101081716 FCZVZKAKPDSLKQ-QWHCGFSZSA-N 252.269 2.569 50 50 CFGA C[C@H](Cl)C(=O)N1C[C@H]2CCCCC[C@]2(C#N)C1 1875380658 VKIXMMHRRNYKSB-LOWVWBTDSA-N 254.761 2.546 50 50 CFGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccoc1 62508 FXXBEJGSMJARDD-CYBMUJFWSA-N 284.315 2.730 50 50 CFGA CCOc1ccc2nc(NC(=O)CCl)sc2c1 192888 RTLJXLUAHMPBAV-UHFFFAOYSA-N 270.741 2.872 50 50 CFGA COc1ccc2c(c1)CCC[C@@H](NC(=O)[C@H](C)Cl)C2 1875370123 CCVXEXODWPZOOZ-GXFFZTMASA-N 281.783 2.686 50 50 CFGA O=C(Cl)COc1ccc(OC(F)(F)F)cc1 2576779 UCKXXLDQAUINGL-UHFFFAOYSA-N 254.591 2.729 50 50 CFGA Cc1ccc(-c2nc(CNC(=O)CCl)co2)cc1 1334086925 JJLPECHGDFMDHU-UHFFFAOYSA-N 264.712 2.505 50 50 CFGA CC(C)[C@@H](NC(=O)CCl)c1ccc(F)c(C#N)c1 1875389905 LMSOWZPEYMJQFU-CYBMUJFWSA-N 268.719 2.749 50 50 CFGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccoc1 62507 FXXBEJGSMJARDD-ZDUSSCGKSA-N 284.315 2.730 50 50 CFGA O=C1C(Cl)(Cl)C[C@@H](Cl)C1(Cl)Cl 3051943 ZEXCRFIOWWPEQM-UWTATZPHSA-N 256.343 2.914 50 50 CFGA COC(=O)c1c(NC(=O)[C@H](C)Cl)sc2c1CCC2 36963452 MHKKSWRUFQEVKZ-LURJTMIESA-N 287.768 2.589 50 50 CFGA C[C@H](Cl)C(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccccc1 1875377825 ORURIXJSXWSKHX-CMPLNLGQSA-N 297.782 2.813 50 50 CFGA CC(=O)Nc1ccc(NC(=O)C(C)(C)CCl)cc1 3104476 JKIUEERTFNQVEX-UHFFFAOYSA-N 268.744 2.849 50 50 CFGA N#CC1=C(N)c2c(F)cccc2[C@@]1(C#N)c1cccs1 4002560 DINXMGHXPHOEDD-OAHLLOKOSA-N 281.315 2.904 50 50 CFGA N#Cc1ccc(NCCCCBr)cn1 757133056 FTFOBIFXWCLQNE-UHFFFAOYSA-N 254.131 2.540 50 50 CFGA C[C@]1(C(=O)NCc2cccs2)C[C@H]1Br 864059131 YQEOUFQEBQKPAE-SCZZXKLOSA-N 274.183 2.538 50 50 CFGA C[C@H](Cl)C(=O)NCCc1nc2cc(F)ccc2s1 1875364407 MCVFSUYHRMJUKG-ZETCQYMHSA-N 286.759 2.721 50 50 CFGA O=C(NNC(=O)c1cccc(Cl)c1)c1ccc(F)cc1 299882 GJIFMTRIXXLVCU-UHFFFAOYSA-N 292.697 2.554 50 50 CFGA Cc1ccccc1C(=O)NNC(=O)c1cccc(Cl)c1 299890 JRFZSSDUSQJBJW-UHFFFAOYSA-N 288.734 2.723 50 50 CFGA Cc1ccc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)s1 13496639 WKIUNCSUZSJKEF-REZTVBANSA-N 284.344 2.697 50 50 CFGA COC(=O)c1c(F)cc(CBr)cc1F 306146037 BFEKOTUJVAIWPK-UHFFFAOYSA-N 265.053 2.646 50 50 CFGA in-vitro CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CCl 4242566 GFGQSTIUFXHAJS-QWHCGFSZSA-N 299.798 2.722 50 50 CFGA CC1(C)CC(=O)C/C(=N/NC(=O)C2[C@@H]3CCCC[C@@H]23)C1 100315850 PPMVTAATPZLMJM-GBJXNIFPSA-N 276.380 2.674 50 50 CFGA COc1ccccc1/C=N/NC(=O)[C@H](OC)c1ccccc1 436850 KJDHIXGMFKNIBR-YAJBTMAUSA-N 298.342 2.533 50 50 CFGA CCC(CC)[C@@H](CNC(=O)[C@H](C)Cl)N1CCCC1 1875364098 DKTIRSYLHLQYCY-WCQYABFASA-N 274.836 2.631 50 50 CFGA Cc1ccccc1C(=O)NNC(=S)Nc1ccccc1 46250 REABBFUZTDNNNH-UHFFFAOYSA-N 285.372 2.626 50 50 CFGA COC(=O)c1c(NC(=O)C(Cl)Cl)sc(C)c1C 369778 DPMKZKDUMGDIDW-UHFFFAOYSA-N 296.175 2.894 50 50 CFGA COc1cccc(C2C(C#N)=C(C)NC(C)=C2C#N)c1O 19594383 CUKHJRXAJRUGLJ-UHFFFAOYSA-N 281.315 2.683 50 50 CFGA Cc1sc2nc(CCl)cc(=O)n2c1Br 205899243 ZXKFWALTAUTKFT-UHFFFAOYSA-N 293.573 2.566 50 50 CFGA CCN1CCC(N(CC(C)(C)CC)C(=O)CCl)CC1 1875382218 VEPMSWQBDMLAOQ-UHFFFAOYSA-N 288.863 2.974 50 50 CFGA Cc1cccc(N2C(=O)S[C@@H](Br)C2=O)c1 1232452 KJFRLAXQKZQWML-MRVPVSSYSA-N 286.150 2.916 50 50 CFGA COC(=O)/C(C#N)=C\c1cc(Br)ccc1OC 439286 SQBOJHPNDXHIIP-UITAMQMPSA-N 296.120 2.538 50 50 CFGA CC(/C=N/NC(=O)c1n[nH]c2c1CCC2)=C\c1ccccc1 13618840 SDMGBHOUUPTIHJ-SIBNOYASSA-N 294.358 2.718 50 50 CFGA O=S1(=O)C[C@]23C=CC=C[C@]2(CCCC3)[C@@H]1Cl 16975156 GPAIKHSCWSQBTK-UTUOFQBUSA-N 258.770 2.653 50 50 CFGA O=C(N/N=C/C=C/c1ccccc1)c1n[nH]c2c1CCCC2 4737652 FEVMTKOCFFTEGJ-PXYULHTISA-N 294.358 2.718 50 50 CFGA Cc1n[nH]c2c1[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2 32540519 JNAOVETXLSIQBV-GFCCVEGCSA-N 286.722 2.590 50 50 CFGA O=[N+]([O-])c1cc(CBr)cc(F)c1F 263625120 WXUAZSLVFCZVPU-UHFFFAOYSA-N 252.014 2.768 50 50 CFGA O=C(CCl)Nc1c(F)cc(Br)cc1F 159314 LXXLCCRGWVJBJI-UHFFFAOYSA-N 284.487 2.905 50 50 CFGA Br[C@@H]1CC[C@@H]2O[C@H]2CC[C@H]1Br 257346416 FDVJISGFGLBDFP-NGJRWZKOSA-N 283.991 2.855 50 50 CFGA Cc1ccc(NC(=O)CBr)cc1Cl 5814944 KVGQZOYCOMSLOA-UHFFFAOYSA-N 262.534 2.982 50 50 CFGA Cc1ccc(OCC(=O)NN=C2CCCCC2)cc1 260056 MBAYTXSDXYGTKE-UHFFFAOYSA-N 260.337 2.810 50 50 CFGA Cc1nc(-c2cccc(CBr)c2)no1 3880888 CERZNQPNTHWEAD-UHFFFAOYSA-N 253.099 2.940 50 50 CFGA CC[C@@H]1[C@@H]2C[C@H](C)CC=C2C(C#N)=C(N)C1(C#N)C#N 34954614 ILTQEXWFTNKXCI-MPKXVKKWSA-N 266.348 2.769 50 50 CFGA Cc1occc1C(=O)NN=Cc1c[nH]c2ccccc12 252680096 VXMQWBRDIZCABQ-UHFFFAOYSA-N 267.288 2.833 50 50 CFGA O=C(Br)[C@@](F)(Br)C(F)(F)F 4329264 UOXZNFHPGQEABB-REOHCLBHSA-N 287.832 2.531 50 50 CFGA biogenic,in-vitro COc1cccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1 59303 QGRJSLBDQPFLOM-OAHLLOKOSA-N 296.326 2.510 50 50 CFGA Cc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)s1 272950 XGGRBQNHAUMKSN-UHFFFAOYSA-N 283.356 2.875 50 50 CFGA O=C1OC(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 100939649 UWDJRACNZVFLEC-KBPBESRZSA-N 252.269 2.637 50 50 CFGA CCCc1cc(C(=O)N/N=C/c2cccnc2)cs1 2735911 DWZHNGRJYNKFQN-CXUHLZMHSA-N 273.361 2.860 50 50 CFGA N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(N)=O 101236 XVVJKOMKYJERCO-JXMROGBWSA-N 272.691 2.992 50 50 CFGA CSc1ccc(/C=N/NC(=O)c2cccnc2)cc1 381409 ZMICLLKNZMFPPT-CXUHLZMHSA-N 271.345 2.567 50 50 CFGA COc1ccc2nc(NC(=O)[C@H](C)Cl)sc2c1 19281259 NYPSOVKZBBFHTP-LURJTMIESA-N 270.741 2.871 50 50 CFGA C/C(=N\NC(=O)CCc1ccccc1)c1ccncc1 4989762 PQPCQXZOGKQLRD-QGOAFFKASA-N 267.332 2.555 50 50 CFGA O=C(N/N=C/c1coc2ccccc2c1=O)c1ccccc1 1393717 KZWVAKKUDLOWKU-VCHYOVAHSA-N 292.294 2.557 50 50 CFGA NNC(=O)c1ccc(OCc2c(F)cccc2Cl)cc1 1386488 JOYZRRISXKCNDD-UHFFFAOYSA-N 294.713 2.662 50 50 CFGA CCOc1ccc(/C=C(/C#N)C(N)=S)c(OCC)c1 13424453 BFQVPHLXKHGURQ-XFFZJAGNSA-N 276.361 2.677 50 50 CFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccccc1 242224 JPRGQRYFEJFAOR-CQSZACIVSA-N 298.342 2.721 50 50 CFGA CN(NC(=O)[C@H]1CCc2ccccc2O1)c1ccccc1 1611209842 RHDZSRQBNOSFJL-MRXNPFEDSA-N 282.343 2.548 50 50 CFGA CC(C)c1cc(C(=O)N/N=C/C=C/c2ccccc2)[nH]n1 15973980 QSRXOWOXTJFHIX-PNTUOKEUSA-N 282.347 2.962 50 50 CFGA C[C@@H](Cl)C(=O)NCCc1nc2cc(F)ccc2s1 1875364406 MCVFSUYHRMJUKG-SSDOTTSWSA-N 286.759 2.721 50 50 CFGA C[C@H](Cl)C(=O)Nc1sc2c(c1C#N)CCC2 36962938 ZTJHJVCUUHUHIZ-LURJTMIESA-N 254.742 2.674 50 50 CFGA in-vitro CCC(CC)[C@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21 547126 NWFZJBLBFNHEQA-LBPRGKRZSA-N 274.320 2.554 50 50 CFGA C/C(=N\NC(=O)Cc1ccccc1)c1cccs1 4393968 OTHRYGYDZYNCBC-RVDMUPIBSA-N 258.346 2.831 50 50 CFGA Cc1ccccc1NCC(=O)N/N=C\c1ccccc1F 5049755 SIJGLAQFJHXIIN-GRSHGNNSSA-N 285.322 2.696 50 50 CFGA O=C1OC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]12 95670829 PSKVQQJLLWSBFV-STONLHKKSA-N 276.291 2.593 50 50 CFGA C/C(=N/NC(=O)c1cccc(Br)c1)C1CC1 12342900 VSJCNDIMOJLDFO-ZSOIEALJSA-N 281.153 2.965 50 50 CFGA CC1=C(C#N)C(c2ccccc2[N+](=O)[O-])C(C#N)=C(C)N1 19419638 AYCFSNOSASPIJM-UHFFFAOYSA-N 280.287 2.877 50 50 CFGA CC(C)(NC(=O)CCl)c1nc(C(F)(F)F)cs1 1875364419 QLIYLOQMVPCNCG-UHFFFAOYSA-N 286.706 2.752 50 50 CFGA CC(C)(C)c1n[nH]c2c1[C@@H](c1ccccc1)C(C#N)=C(N)O2 35090 XEVFPPWWORQUPK-LBPRGKRZSA-N 294.358 2.925 50 50 CFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1C1CCCCC1 88412 GALICDPMBCJAIE-AWEZNQCLSA-N 272.348 2.914 50 50 CFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1C1CCCCC1 267717 JNZMYXLNOALOGT-AWEZNQCLSA-N 290.363 2.744 50 50 CFGA CC[C@@H]1[C@H]2C[C@@H](C)CC=C2C(C#N)=C(N)C1(C#N)C#N 106233586 ILTQEXWFTNKXCI-VHRBIJSZSA-N 266.348 2.769 50 50 CFGA O=C(CCl)Nc1ccc(N2CCCCC2)cc1 339151 MHJOHHYWAINXBF-UHFFFAOYSA-N 252.745 2.854 50 50 CFGA in-vitro C[C@H](Br)C(=O)NCc1ccccc1Cl 41696282 PAYJCKFNXISWOI-ZETCQYMHSA-N 276.561 2.740 50 50 CFGA N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(N)=O 101226 UTNXVTBOJXHUAL-VQHVLOKHSA-N 272.691 2.992 50 50 CFGA Cc1cc(C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)[nH]n1 257725 RRBRFUIDKZOMHA-LICLKQGHSA-N 284.363 2.780 50 50 CFGA NC(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 444781 JUFSTHXFOKRVDR-CNHKJKLMSA-N 297.236 2.968 50 50 CFGA COc1ccc(N(C)C(=O)[C@H](C)Cl)cc1Cl 1875364223 KEURMAWSRJGBJV-ZETCQYMHSA-N 262.136 2.939 50 50 CFGA Cc1ccc(C)c(NC(=O)CI)c1 2519862 GHOFTGQKFNCNKC-UHFFFAOYSA-N 289.116 2.677 50 50 CFGA O=C1C[C@@H]([C@@H]2Cc3cccc4cccc2c34)C(=O)O1 101081707 FCZVZKAKPDSLKQ-OLZOCXBDSA-N 252.269 2.569 50 50 CFGA N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(N)=O 117201 SIAMCDIHXZUXRD-XNTDXEJSSA-N 278.311 2.658 50 50 CFGA C[C@H](Cl)C(=O)N1CCC(C(=O)c2cccs2)CC1 1875364349 LVSOTWQTAJGOGW-VIFPVBQESA-N 285.796 2.797 50 50 CFGA O=C(CCl)N(CCCO)[C@H]1CCCc2ccccc21 1875377836 OXTVCSWEUXKMJT-AWEZNQCLSA-N 281.783 2.514 50 50 CFGA CC[C@@H](Br)C(=O)Nc1ccc2c(c1)OCO2 266499 GZQVKDBFMPWKSN-MRVPVSSYSA-N 286.125 2.527 50 50 CFGA COc1ccc(CNC(=O)CCl)c(OC2CCCC2)c1 1324706586 OUBOIBWTLMMUSP-UHFFFAOYSA-N 297.782 2.872 50 50 CFGA C[C@@H](Cl)C(=O)NCc1coc(-c2ccccc2)n1 1875364180 JIQSCFQAAPFCHC-SECBINFHSA-N 264.712 2.585 50 50 CFGA C[C@H](Cl)C(=O)N1CCCO[C@H](c2ccccc2)C1 1875364833 VIEPKFLSXZIAHD-AAEUAGOBSA-N 267.756 2.604 50 50 CFGA C[C@@H](Br)c1cc2c(cc1[N+](=O)[O-])OCO2 225440558 JSESGFWDNDACQB-RXMQYKEDSA-N 274.070 2.779 50 50 CFGA C/C(=N\NC(=O)c1cc(C(C)C)n[nH]1)c1ccccc1 9089555 NLFZDJHJEDTVJV-LFIBNONCSA-N 270.336 2.687 50 50 CFGA O=C(N/N=C\c1cccc(Cl)c1)[C@H]1CC12CCC2 32650078 BDQHXFXNYXMSEV-DZZSIBQASA-N 262.740 2.980 50 50 CFGA Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(N)=O)o1 306777 DZAKGCORYFAQBX-UXBLZVDNSA-N 297.270 2.556 50 50 CFGA C/C(=N\NC(=O)Cc1cccs1)c1ccc(F)cc1 19849192 ARMDFFLBOFFJGZ-MHWRWJLKSA-N 276.336 2.970 50 50 CFGA O=C(CCl)Nc1cc(F)cc(N2CCCC2)c1 1775988424 GTMCRCYTJCOFGV-UHFFFAOYSA-N 256.708 2.603 50 50 CFGA CN(C)C(C/C=N/OCc1cccc(F)c1)=C(C#N)C#N 5524787 NUPDKXICSDZELJ-FBCYGCLPSA-N 286.310 2.581 50 50 CFGA Cc1cccc(OCC(=O)NN=C2CCCCC2)c1 260103 BRGCDCKPMHJSNK-UHFFFAOYSA-N 260.337 2.810 50 50 CFGA O=c1cc(CBr)c2cccc(F)c2[nH]1 66054810 ZYDYBCDPBZBCEM-UHFFFAOYSA-N 256.074 2.562 50 50 CFGA O=C(N/N=C/c1ccccc1O)c1ccccc1Cl 262964 UUWKFQZODPGLRA-CXUHLZMHSA-N 274.707 2.810 50 50 CFGA COCc1nc(C)c(C(=O)O[C@@H]2CCC=C(C#N)C2)s1 888099297 FXRSMTRQAKFSOZ-LLVKDONJSA-N 292.360 2.757 50 50 CFGA Nc1nc(C(F)(F)F)ccc1CBr 238624092 HAVFUNWERUCGBB-UHFFFAOYSA-N 255.037 2.578 50 50 CFGA CCO[Si](CCCN=C=S)(OCC)OCC 195770094 SHIJTLJNEIRZOO-UHFFFAOYSA-N 263.435 2.528 50 50 CFGA in-vitro C[C@@H](Cl)C(=O)Nc1ccnc(OCC(F)(F)F)c1 1875377966 SHZFZTWPTVKJJX-ZCFIWIBFSA-N 282.649 2.589 50 50 CFGA CC(/C=C/c1ccccc1)=N/NC(=O)c1cc(O)cc(O)c1 4964092 RAPCEMTVZKIHHD-COKRBVQGSA-N 296.326 2.917 50 50 CFGA Cc1cc(C)c(C=NNC(=O)c2ccncc2)c(C)c1 254291434 BKAZOJCNGPCUGN-UHFFFAOYSA-N 267.332 2.771 50 50 CFGA O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C3=C([C@H]4CC[C@H]3C4)[C@H]2C12CCCC2 257356266 HDVNQYSVUHDHQO-QJZRJXJFSA-N 284.355 2.849 50 50 CFGA Cc1ccccc1C[C@H](SC#N)C(=O)OCCCl 3182115 NGLJNHOLEBIZPZ-LBPRGKRZSA-N 283.780 2.902 50 50 CFGA C[C@H](NC(=O)CCl)c1ccc(Br)cc1 3394045 QOVVMRZOAXDWMK-ZETCQYMHSA-N 276.561 2.865 50 50 CFGA O=C(N/N=C/c1cc2ccccc2[nH]1)c1ccccc1 4996996 YRKLMEXCGMNAEY-GZTJUZNOSA-N 263.300 2.932 50 50 CFGA CCOC(=O)C[C@@H](CCBr)C(C)C 34615181 XCXVFSTWZZFOQT-SECBINFHSA-N 251.164 2.997 50 50 CFGA CC(C)c1ccc(/C=N/NC(=O)c2ccccn2)cc1 227978 WFJIMRAEOLALEO-WOJGMQOQSA-N 267.332 2.969 50 50 CFGA C[C@@H](Cl)C(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 1875376444 WTXGBTDKIKYMKU-RAIGVLPGSA-N 267.756 2.650 50 50 CFGA C/C(=N\NC(=O)c1ccc(O)cc1)c1cccs1 12576589 HFSNLFUJGCTBPZ-NTEUORMPSA-N 260.318 2.608 50 50 CFGA Cc1ccc(S(=O)(=O)[C@@H]2CCC[C@@H]2Cl)cc1 1700457 ODICXHKSKRSPEO-NWDGAFQWSA-N 258.770 2.929 50 50 CFGA CCCSC1=C(C#N)[C@H](c2ccco2)CC(=O)N1 2848778 BCZROMQITCSXII-SECBINFHSA-N 262.334 2.761 50 50 CFGA O=C(Cl)Cc1ccc(I)cc1 39614130 FMPZAAJFLNAMAC-UHFFFAOYSA-N 280.492 2.599 50 50 CFGA C[C@H](NC(=O)CCl)c1nnc(-c2cccc(F)c2)s1 1875377660 KJCIVAYYNQRZOZ-ZETCQYMHSA-N 299.758 2.760 50 50 CFGA C[C@]1(C(=O)Nc2ccccc2F)C[C@H]1Br 864058261 RQOGOMCSJMXPLG-KOLCDFICSA-N 272.117 2.938 50 50 CFGA COc1cc(F)c(F)cc1NC(=O)NCC(Cl)Cl 585120033 IYVRWBVPLOVLKO-UHFFFAOYSA-N 299.104 2.899 50 50 CFGA C[C@H](NC(=O)CCl)c1ccc(-c2cncnc2)cc1 1875364147 FREUDYYJGJFITI-JTQLQIEISA-N 275.739 2.560 50 50 CFGA CC(C)[C@@H](CO)NC(=O)CCCC[C@H]1CCSS1 182632058 GCWMERSAJNFQBB-NWDGAFQWSA-N 291.482 2.834 50 50 CFGA biogenic C[C@H](NC(=O)CCl)c1cc(F)cc(Cl)c1 1875387079 NBYHXZHPJRULHZ-LURJTMIESA-N 250.100 2.895 50 50 CFGA O=C(CCl)NCCc1c[nH]c2c(Cl)cc(F)cc12 1875374276 ICXXIJLDSBVKSN-UHFFFAOYSA-N 289.137 2.858 50 50 CFGA C[C@@H](Cl)C(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 1875364823 UYOIWRWUPUAWSL-ZYHUDNBSSA-N 295.766 2.749 50 50 CFGA C[C@@H](Cl)C(=O)N[C@@H](Cc1ccccc1)c1ncco1 1875380291 KVLJMHUFDBLCKR-PWSUYJOCSA-N 278.739 2.702 50 50 CFGA CCCCSS(=O)(=O)c1ccc(NC(C)=O)cc1 3130478 VXGAXBURSAGDOX-UHFFFAOYSA-N 287.406 2.867 50 50 CFGA COc1ccc(OC)c(/C=N/NC(=O)c2cccs2)c1 228053 HWJABOVPIUVKML-OQLLNIDSSA-N 290.344 2.529 50 50 CFGA O=Cc1ccc(OCCCl)cc1OCCCl 5756831 NFGRPLWVIDVARA-UHFFFAOYSA-N 263.120 2.734 50 50 CFGA C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H](C)Cl 1875376139 NGDNNFMBUAZHDE-GFCCVEGCSA-N 283.803 2.996 50 50 CFGA CCC[C@@H]1C(C#N)=C(N)Oc2n[nH]c(C(C)(C)C)c21 6499293 QTTHRHXOTSDFHQ-MRVPVSSYSA-N 260.341 2.677 50 50 CFGA CC(C)=C1[C@H]2C3=C([C@H]4CC[C@H]3C4)[C@H]1[C@@H]1C(=O)OC(=O)[C@@H]21 257357088 LYTGSSQGAGFBTP-IRGFZRBFSA-N 270.328 2.625 50 50 CFGA O=C(N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1cccnc1 1875390438 FJUUDDZJEBOWNS-AUVLXMKTSA-N 269.348 2.624 50 50 CFGA Cc1ccc(N2C[C@@H](CBr)OC2=O)cc1 71780319 MMKJURFQQNFRMD-SNVBAGLBSA-N 270.126 2.715 50 50 CFGA CC(C)(C)OC(=O)NC/C(=C\F)CBr 224839593 TXTILTRMBJQAPB-ALCCZGGFSA-N 268.126 2.759 50 50 CFGA O=C(N/N=C/c1ccc(Cl)cc1)[C@@H](O)c1ccccc1 435889 LJYYNLDTMXIBCP-FBJMNJBLSA-N 288.734 2.524 50 50 CFGA N#CC1=C(N)Oc2cc(N)ccc2[C@H]1[C@@H]1CC=CCC1 240098 KIEGMLPYAJDKNE-MEBBXXQBSA-N 267.332 2.795 50 50 CFGA O=C(NNC(=O)c1ccc(Cl)cc1)Nc1ccccc1 485096 WWEFKCCIPQMEKC-UHFFFAOYSA-N 289.722 2.807 50 50 CFGA CC(C)c1cc(C(=O)N/N=C/c2ccccc2Cl)[nH]n1 4928151 WDKCGISYJVSXPB-LZYBPNLTSA-N 290.754 2.950 50 50 CFGA ClC[C@@H](Br)[C@H](Br)CCl 1685298 FPPZFTLHBVZMCA-QWWZWVQMSA-N 284.806 2.991 50 50 CFGA CCCc1ccc(OCC(=O)N/N=C/c2ccco2)cc1 2929378 ISUBTPIJCLBHJQ-GZTJUZNOSA-N 286.331 2.761 50 50 CFGA Cc1ccc(C(=O)N/N=C/c2ccccc2F)cc1 273658 PUUQMTPSOONOLQ-LICLKQGHSA-N 256.280 2.898 50 50 CFGA C[C@H](O)CN(Cc1cc2ccccc2s1)C(=O)CCl 1875381848 JHODWWJZUIKJRB-JTQLQIEISA-N 297.807 2.850 50 50 CFGA C/C(=N\NC(=O)CNc1ccc(C)cc1)c1ccccc1 50026 DYQYIYHNRKFUNT-XMHGGMMESA-N 281.359 2.947 50 50 CFGA CC(C)c1cc(C(=O)N/N=C/c2c[nH]c3ccccc23)[nH]n1 9271612 UTOUGDJDGTUVKP-GIJQJNRQSA-N 295.346 2.778 50 50 CFGA Cc1ccc(S(=O)(=O)c2ncccc2CCl)cc1 216630939 NVAYLYXKJKTVGS-UHFFFAOYSA-N 281.764 2.962 50 50 CFGA O=C(N/N=C/c1ccccc1O)c1cccc(Cl)c1 262804 VGFRGRIZCNPEQC-CXUHLZMHSA-N 274.707 2.810 50 50 CFGA N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccc(F)cc1 76480 RCCOFOKSOMYESV-OAHLLOKOSA-N 281.290 2.626 50 50 CFGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccccc1 241616 JORSFMZSKBBLEZ-BMIGLBTASA-N 280.327 2.747 50 50 CFGA CCc1ccc2c(Cl)c(C(=O)NN)sc2c1 2387687 OVGOKWDEFIKZKA-UHFFFAOYSA-N 254.742 2.721 50 50 CFGA CCSC1=C(C#N)[C@@H](c2ccccc2OC)CC(=O)N1 8973071 FOUQIOQNPRFJQK-LLVKDONJSA-N 288.372 2.787 50 50 CFGA N#CC1=C(c2ccc(C(=O)O)cc2)c2ccccc2C1=O 36429214 JRSMAQVYWKCTCM-UHFFFAOYSA-N 275.263 2.907 50 50 CFGA O=S1(=O)C[C@]23CC=CC[C@]2(CCCC3)[C@H]1Cl 45069567 UYOHILFSRPWGMM-TUAOUCFPSA-N 260.786 2.877 50 50 CFGA C[C@H](NC(=O)[C@@H](C)Cl)c1csc(C2CC2)n1 1875364069 HUIXUQCJWJTMBY-RQJHMYQMSA-N 258.774 2.825 50 50 CFGA COc1cccc(OC)c1OCCCSC#N 2933359 AVWFEEYEPNPKDG-UHFFFAOYSA-N 253.323 2.687 50 50 CFGA C[C@H](Br)C(=O)N1CCCc2ccccc21 41716330 DCMLKTCEIHPSDS-VIFPVBQESA-N 268.154 2.749 50 50 CFGA CCN(CC)c1ccc(/C=N/NC(=O)c2cccnc2)cc1 256385 XAXQUEOQSYUKMC-XDHOZWIPSA-N 296.374 2.692 50 50 CFGA COC(=O)c1c(NC(C)=O)sc(/C(C)=C/C#N)c1C 143099 ZUGXGUVZWKTUNP-FNORWQNLSA-N 278.333 2.728 50 50 CFGA O=C(N/N=C/C=C/c1ccccc1)c1ccccc1O 1739288 BCGXWFSQSOPZSL-YIERNNEGSA-N 266.300 2.821 50 50 CFGA O=C(CCl)Nc1ccc(N=S2(=O)CCCC2)cc1 1875377901 QQVJRNLDJACXQL-UHFFFAOYSA-N 286.784 2.757 50 50 CFGA CCOC(=O)[C@H](Cc1ccc(OCC)cc1)SC#N 2923515 XEOJTNLYSPTOJM-ZDUSSCGKSA-N 279.361 2.774 50 50 CFGA C[C@H](Cl)C(=O)NC[C@@H](C)Oc1cccc(Cl)c1 1875364625 OYFSSWWSQWSMJD-BDAKNGLRSA-N 276.163 2.851 50 50 CFGA ClC(Cl)/C(=N\c1ccccc1)n1cncn1 482993 KENCVMGPFWDPON-XNTDXEJSSA-N 255.108 2.660 50 50 CFGA CCOC(=O)/C(C#N)=C\Nc1cc(C)nc2ccccc12 5250267 FEBMICIQAXGITO-BENRWUELSA-N 281.315 2.926 50 50 CFGA NC(=O)NN=Cc1c2ccccc2cc2ccccc12 254560428 UDRHLNLVJZOJSF-UHFFFAOYSA-N 263.300 2.995 50 50 CFGA C[Si](C)(C)C#CCCI 169837175 AFUSGDYBARURKW-UHFFFAOYSA-N 252.171 2.692 50 50 CFGA Cc1nc([C@H]2CCCN2C(=O)[C@@H](C)Cl)cs1 1875366497 PHLRVGUZVXOIEV-GMSGAONNSA-N 258.774 2.742 50 50 CFGA CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)CCl 1875375450 CADYOJHHPFMGJD-MGPQQGTHSA-N 281.783 2.693 50 50 CFGA CCC[C@@H](C)[C@H]1C(C#N)=C(N)Oc2cc(N)ccc21 240020 TZNWAYGSFFXCRN-YMTOWFKASA-N 257.337 2.875 50 50 CFGA O=C(NN=C1CCCCC1)c1ccc([N+](=O)[O-])cc1 498286 KJWVNIDYPSXHBP-UHFFFAOYSA-N 261.281 2.645 50 50 CFGA CCOc1cc(OC)ccc1C(=O)CBr 141155251 YLLCRCDTJOFFMG-UHFFFAOYSA-N 273.126 2.672 50 50 CFGA O=C1[C@H](Br)CCCC[C@H]1Br 101186839 PAMIRPDGXRSPTC-PHDIDXHHSA-N 269.964 2.657 50 50 CFGA Br[C@H]1Cc2ccccc2[C@@H]1[n+]1ccccc1 5583172 JZDAMAUODQVDFE-KBPBESRZSA-N 275.169 2.883 50 50 CFGA Cc1n[nH]c2c1[C@@H](CCc1ccccc1)C(C#N)=C(N)O2 5013159 CLUJSCJUGNRNCJ-LBPRGKRZSA-N 280.331 2.521 50 50 CFGA COC(=O)[C@H](CCBr)c1ccccc1 163603266 UDINMLIFCVXPIE-SNVBAGLBSA-N 257.127 2.728 50 50 CFGA Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NN)(C4)C2)C3)cc1 100400577 WIIPTUCEIVCYAP-JDPPGYRCSA-N 284.403 2.823 50 50 CFGA Cc1cccc(C(=O)NNc2ccccc2[N+](=O)[O-])c1 4117837 VGGFMRUNCFMBCV-UHFFFAOYSA-N 271.276 2.660 50 50 CFGA COc1ccc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1 4017622 PLQZKYYTCTWXGP-AKOHYNGRSA-N 294.354 2.949 50 50 CFGA Cc1cc(C2C(C#N)=C(N)SC(N)=C2C#N)c(C)s1 19857504 NHVYDSAQTXHCDK-UHFFFAOYSA-N 288.401 2.583 50 50 CFGA COc1ccc(NC(=O)CBr)cc1Cl 58846736 YVALCZCFIHHDAD-UHFFFAOYSA-N 278.533 2.682 50 50 CFGA Cn1cccc1/C=C(/C#N)c1cccc([N+](=O)[O-])c1 5028079 LWFMGTCOUQPEAT-XFXZXTDPSA-N 253.261 2.997 50 50 CFGA C[C@H](Cl)C(=O)N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 1875376291 RHNSGGHPRLNVKM-OXIQGZBJSA-N 285.815 2.810 50 50 CFGA C[C@@H](C[C@@H](C)O)N(Cc1ccc(F)cc1)C(=O)CCl 1875381677 CXTFUEPMEGSIJB-WDEREUQCSA-N 287.762 2.553 50 50 CFGA O=C(Nc1cc(F)cc(N2CCCC2)c1)[C@H](F)Cl 2325898451 DBYXWWXCLZVBHN-NSHDSACASA-N 274.698 2.899 50 50 CFGA O=C1C(Cl)(Cl)C[C@H](Cl)C1(Cl)Cl 3051945 ZEXCRFIOWWPEQM-REOHCLBHSA-N 256.343 2.914 50 50 CFGA COc1ccc(CNC(=O)CCl)c2ccccc12 6668465 ADKCQNJXVQRLKD-UHFFFAOYSA-N 263.724 2.703 50 50 CFGA CC(C)[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cccs3)c21 6529232 GJFGRZFOMWBYNH-SNVBAGLBSA-N 286.360 2.964 50 50 CFGA C[C@H](Cl)C(=O)NCc1cc(-c2ccccc2)on1 1875363746 XBSOAYJRAPRLBO-VIFPVBQESA-N 264.712 2.585 50 50 CFGA O=C(CCl)N[C@H](C[C@@H]1CCOC1)c1ccccc1 1875374995 NDGJNYQAELEMEQ-WCQYABFASA-N 267.756 2.509 50 50 CFGA O=C(CBr)c1ccc(Cl)c([N+](=O)[O-])c1 160826 FXNQTMRPLLNPQY-UHFFFAOYSA-N 278.489 2.826 50 50 CFGA O=C(N/N=C/c1cccc2ccccc12)c1ccccn1 4721214 JTTRSDMAXWJAPE-XDHOZWIPSA-N 275.311 2.999 50 50 CFGA NS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1 185296399 CWGHLZJHARBUDS-UHFFFAOYSA-N 283.243 2.991 50 50 CFGA COC(=O)c1ccc(COCCCBr)cc1 642882527 IIEPJTHWXJSVBW-UHFFFAOYSA-N 287.153 2.775 50 50 CFGA O=C(CCl)c1ncc(Cl)cc1Br 91692957 SOLWTZJSLIDLPC-UHFFFAOYSA-N 268.925 2.919 50 50 CFGA in-vitro O=C(N/N=C/c1ccc(F)cc1)c1cccc(F)c1 298704 GTNXKSYINMUUNO-RQZCQDPDSA-N 260.243 2.729 50 50 CFGA CN(C)/C=C(\C#N)Oc1cc(F)ccc1Br 169620345 ZSPMSHBXZABZBC-VQHVLOKHSA-N 285.116 2.894 50 50 CFGA Cc1cc(C(=O)N/N=C/c2c(Cl)cccc2Cl)[nH]n1 4925846 GWRQCZYRXNULEX-GIDUJCDVSA-N 297.145 2.789 50 50 CFGA C[C@H](Cl)C(=O)NC[C@H]1CC[C@H](c2ccccc2)O1 1875376443 WTXGBTDKIKYMKU-CYZMBNFOSA-N 267.756 2.650 50 50 CFGA O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCCCC1 135196 DHSYPQIMNAYLCG-UHFFFAOYSA-N 250.254 2.580 50 50 CFGA CCOc1ccc(/C=N/NC(=O)COc2ccccc2)cc1 497976 HTWHLPGLJYLKDU-LDADJPATSA-N 298.342 2.614 50 50 CFGA C/C(=N/NC(=O)CNc1ccccc1C)c1ccccc1O 16667965 HYUHAUDDMXBVAQ-UYRXBGFRSA-N 297.358 2.653 50 50 CFGA CCO[C@@H](C)c1nc(CN(C)C(=O)[C@@H](C)Cl)cs1 1875364531 UOECZYVKBAKCNO-BDAKNGLRSA-N 290.816 2.826 50 50 CFGA O=C1C[C@H]([C@@H]2Cc3cccc4cccc2c34)C(=O)O1 101081710 FCZVZKAKPDSLKQ-CHWSQXEVSA-N 252.269 2.569 50 50 CFGA COc1cc(C(=O)Cl)cc(Br)c1OC 40451542 WGGVJKUDUKULDS-UHFFFAOYSA-N 279.517 2.845 50 50 CFGA NNC(=O)c1scc(-c2ccccc2)c1-n1cccc1 96511577 JVAMPFBEEPQHHW-UHFFFAOYSA-N 283.356 2.809 50 50 CFGA CC(C)(C)OC(=O)N1CC[C@H](Br)[C@@H](F)C1 675082307 YATYOTHYSYTNIS-YUMQZZPRSA-N 282.153 2.729 50 50 CFGA Cc1cccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1 298108 XCGUFAARWMPDDW-MHWRWJLKSA-N 283.287 2.667 50 50 CFGA O=C(CCl)Nc1ccc(Br)cc1[N+](=O)[O-] 8569608 WRKSGYQIJTUHEG-UHFFFAOYSA-N 293.504 2.535 50 50 CFGA O=C1C[C@@H]([C@H]2Cc3cccc4cccc2c34)C(=O)O1 101081713 FCZVZKAKPDSLKQ-STQMWFEESA-N 252.269 2.569 50 50 CFGA O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccco1 439052 BOGRKHXQVDXHQM-OQLLNIDSSA-N 262.696 2.626 50 50 CFGA C[C@@H](Cl)C(=O)NCCc1csc(C(C)(C)C)n1 1875378164 WQFCUYYVJBUOQG-MRVPVSSYSA-N 274.817 2.727 50 50 CFGA Cc1nc(-c2ccc(CNC(=O)[C@@H](C)Cl)o2)cs1 1875363653 PLBKSBZEHIZVGT-SSDOTTSWSA-N 284.768 2.955 50 50 CFGA Cc1nnsc1C(=O)N/N=C/c1cccc2ccccc12 5792615 QXMQZQCVOUGANG-CXUHLZMHSA-N 296.355 2.764 50 50 CFGA OB(O)c1cccc(-c2cccc3oc4ccccc4c23)c1 224074384 KSGKFOWCAULVDG-UHFFFAOYSA-N 288.111 2.933 50 50 CFGA O=C(N/N=C/[C@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 4713575 FHXWLGINIZJLPX-KBVGCWLLSA-N 273.292 2.667 50 50 CFGA COc1ccccc1/C=C(\C#N)C(=O)c1cccn1C 4051345 CHRMYODPABZDIF-JLHYYAGUSA-N 266.300 2.824 50 50 CFGA N#CC1=C(N)Oc2cc(O)c(Cl)cc2[C@H]1c1cccnc1 296391 XIPOXJOACUXSOU-CQSZACIVSA-N 299.717 2.659 50 50 CFGA CCCN(CCC)C(=O)[C@@H](Br)CC 32919608 VAFSRWXRIRJBKH-VIFPVBQESA-N 250.180 2.809 50 50 CFGA CCO[Si](CC[C@@H]1CC[C@@H]2O[C@@H]2C1)(OCC)OCC 169748385 UDUKMRHNZZLJRB-MELADBBJSA-N 288.460 2.992 50 50 CFGA in-vitro C/C(=N\NC(=O)COc1ccccc1C)c1ccccc1 437638 CYEPYQLYXUOXCS-NBVRZTHBSA-N 282.343 2.914 50 50 CFGA O=C(N/N=C/c1cccc2ccccc12)c1cccnc1 66894 IAYHTOVGJJEMHL-XDHOZWIPSA-N 275.311 2.999 50 50 CFGA CC(C)O[C@@H](CN(C)C(=O)CCl)c1ccccc1 1875379237 OLXAGGJHMUKSQR-ZDUSSCGKSA-N 269.772 2.850 50 50 CFGA O=[N+]([O-])c1c(F)cc(F)cc1CBr 118119409 ONTYHZZFNSUPFX-UHFFFAOYSA-N 252.014 2.768 50 50 CFGA O=C(CC1(O)CCCCC1)N/N=C/c1ccc(Cl)cc1 1225904 IJRUXHCLYHQWLZ-GZTJUZNOSA-N 294.782 2.875 50 50 CFGA C[C@H]1COC[C@@H](c2ccccc2)N1C(=O)[C@@H](C)Cl 1875376419 WMGYPWUBTQIBSF-LOWVWBTDSA-N 267.756 2.602 50 50 CFGA Cc1ccc(Nc2nc(N)nc(CCl)n2)cc1Cl 85389089 ZHMYJJLLAKQFOV-UHFFFAOYSA-N 284.150 2.898 50 50 CFGA CC[N+](=C/C=C(/C#N)c1ccc([C-](C#N)C#N)cc1)CC 100241723 XURNBIJGNBABLW-SXGWCWSVSA-N 276.343 2.686 50 50 CFGA CC1=C(C#N)[C@](Nc2ccc(C)cn2)(C(F)(F)F)C(O)=N1 20069806 GEXGYPIFNBWPRC-GFCCVEGCSA-N 296.252 2.871 50 50 CFGA CC[C@@H](Br)C(=O)NCc1ccc(C)cc1 45796271 JKZYIOVUUVVREE-LLVKDONJSA-N 270.170 2.785 50 50 CFGA C[C@@H](Cl)C(=O)Nc1sc2c(c1C#N)CCC2 36962939 ZTJHJVCUUHUHIZ-ZCFIWIBFSA-N 254.742 2.674 50 50 CFGA in-vitro N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc(F)c1 71085 ZKBQIEXFNPGBTI-CQSZACIVSA-N 284.290 2.640 50 50 CFGA C[C@@H](Br)C(=O)NCCC1=CCCCC1 32919994 ZMSWJQNUQIADHR-SECBINFHSA-N 260.175 2.777 50 50 CFGA Nc1cc(CBr)cc(C(F)(F)F)n1 238652730 NDUOSAYVYYXGBT-UHFFFAOYSA-N 255.037 2.578 50 50 CFGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(C#N)cc1 245226902 RKZAWWHRWQDNBK-OYXWMQGTSA-N 281.359 2.835 50 50 CFGA Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(N)=O)o1 441992 JHIQOYBWJGKNOW-JXMROGBWSA-N 297.270 2.556 50 50 CFGA C[C@H](Cl)C(=O)N1CCCc2ccc(N(C)C)cc2C1 1875375767 HZJVPYFSBBFIHV-NSHDSACASA-N 280.799 2.655 50 50 CFGA N#CC1=C(N)Oc2cc(N)ccc2[C@H]1[C@H]1CC=CCC1 240104 KIEGMLPYAJDKNE-ZUZCIYMTSA-N 267.332 2.795 50 50 CFGA O=C1OC(=O)[C@@H]2[C@H]3CCCCC3=C3CCCC[C@H]3[C@@H]12 100759230 SLLYQMXCKAECGW-XJFOESAGSA-N 260.333 2.993 50 50 CFGA CCOc1ccc(C(=O)N/N=C(/C)c2ccc(O)cc2)cc1 250982 MJJQIFFYZSZUSX-PDGQHHTCSA-N 298.342 2.945 50 50 CFGA COc1ccc(/C=N/NC(=O)c2ccncc2)cc1Cl 436802 CPORAPFBLFDNLY-RQZCQDPDSA-N 289.722 2.508 50 50 CFGA ClC[C@@](Cl)(Br)CBr 1724293 KKPLLXWDLWIQDL-GSVOUGTGSA-N 270.779 2.950 50 50 CFGA COc1ccc(/C(C)=N/NC(=O)c2ccccc2O)cc1 112536 RUHWOTYZNLFRPA-GZTJUZNOSA-N 284.315 2.555 50 50 CFGA O=c1c(CCCl)cnc2sc3ccccc3n12 332181 UHUQRMVGZOMQDG-UHFFFAOYSA-N 264.737 2.691 50 50 CFGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccnc1 43694 UKFATYADHHPKQM-CQSZACIVSA-N 295.342 2.532 50 50 CFGA CCCCOc1ccc(CNNC(=O)OCC)cc1 1843375 WQYJZIAJVVJGRD-UHFFFAOYSA-N 266.341 2.616 50 50 CFGA O=C(Cc1ccccc1)N/N=C/[C@@H]1C[C@H]2CC[C@H]1C2 101787691 ILMWOYQXYMVDBH-AXFRQSHUSA-N 256.349 2.767 50 50 CFGA C/C(=N\NC(=O)c1ccoc1C)c1ccc(F)cc1 232448 BMJVWUPYZMQJSX-CXUHLZMHSA-N 260.268 2.881 50 50 CFGA CCOP(=O)(CI)OCC 2168535 PNFHTBDRPOJJTQ-UHFFFAOYSA-N 278.026 2.645 50 50 CFGA COC(=O)/C(C#N)=C/c1ccc(Br)cc1F 7060268 JZGXIKYYCWNUGG-XBXARRHUSA-N 284.084 2.668 50 50 CFGA CCc1ccccc1OCC(=O)N/N=C/c1cccs1 484692 JPPUUQLZACJTHX-MHWRWJLKSA-N 288.372 2.840 50 50 CFGA CCOC(=O)C(C(=O)OCC)=C(C#N)C1CCCCC1 2166715 RYUZPDWDTXLWKD-UHFFFAOYSA-N 279.336 2.513 50 50 CFGA CCOC(=O)c1c([C@@H](C)Br)noc1C 2172369 OQGRLTOUYCILCK-RXMQYKEDSA-N 262.103 2.616 50 50 CFGA COc1cc(CBr)c([N+](=O)[O-])cc1OC 2557006 UEKFEYNZISYRRH-UHFFFAOYSA-N 276.086 2.507 50 50 CFGA O=C1OC(=O)[C@@]23CCCC[C@@]12c1ccccc1CC3 101092901 TYGUCZXHJGCPKQ-JKSUJKDBSA-N 256.301 2.514 50 50 CFGA COc1ccccc1/C=N/NC(=O)COc1cccc(C)c1 59759 QHIDGMVFUUEPQV-WOJGMQOQSA-N 298.342 2.533 50 50 CFGA O=C(N/N=C/c1cccc(Cl)c1)c1ccc2[nH]cnc2c1 550169 XYFWUBUCYZCKER-UFWORHAWSA-N 298.733 2.980 50 50 CFGA C/C(=C\c1ccccc1)[C@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21 81782 VMQOANZLTFABDZ-PLWJUESGSA-N 292.342 2.992 50 50 CFGA C[C@H](Cl)C(=O)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 1875380421 OMRTVOPFHPTTCM-PMOUVXMZSA-N 293.794 2.645 50 50 CFGA OB(O)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1 196276142 UAYHYNNEZRKUSH-UHFFFAOYSA-N 274.128 2.700 50 50 CFGA Oc1ncc(C(F)(F)F)cc1CBr 238702338 DOMOYKNPZVNSFX-UHFFFAOYSA-N 256.021 2.701 50 50 CFGA CC(C)(CBr)CNC(=O)OC(C)(C)C 168897658 AGIDVDMCVNOYCM-UHFFFAOYSA-N 266.179 2.932 50 50 CFGA in-vitro O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C1CCCCC1 559821 LTXSWNVEYIYQDQ-XNTDXEJSSA-N 275.308 2.625 50 50 CFGA N#C/C(=C\c1ccco1)C(=O)Nc1ccc(F)cc1 445252 GXQNNJBUMFIJBA-CSKARUKUSA-N 256.236 2.964 50 50 CFGA COc1ccc(P(C)(=O)c2ccc(OC)cc2)cc1 3159265 BTXKSXJMXIWUFS-UHFFFAOYSA-N 276.272 2.648 50 50 CFGA O=C(N/N=C/[C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 4713576 FHXWLGINIZJLPX-HGLKBHAMSA-N 273.292 2.667 50 50 CFGA CSC(SC)=C(C#N)S(=O)(=O)c1ccccc1 2582185 NXPQOZAHGIFBSU-UHFFFAOYSA-N 285.415 2.879 50 50 CFGA O=C1OC(=O)C2C(c3ccccc3)C1C2c1ccccc1 85648412 JPXMLOQBLUIBHW-UHFFFAOYSA-N 278.307 2.883 50 50 CFGA CN(NC(=O)C[C@H]1Cc2ccccc2O1)c1ccccc1 1648743653 UMPNPPPYKRSDFP-OAHLLOKOSA-N 282.343 2.548 50 50 CFGA O=C(CCl)NCc1ccc(-c2ccsc2)nc1 1875377983 SMQXCZRWWRYWRE-UHFFFAOYSA-N 266.753 2.665 50 50 CFGA CSC1=C(C#N)[C@@H](c2sccc2C)CC(=O)N1 278833 LEZRZQWCQCVNNC-QMMMGPOBSA-N 264.375 2.758 50 50 CFGA N#CC1=C(N)SC(N)=C(C#N)C1c1ccc(Cl)cc1 2274366 RKTNHDSJVMYSPC-UHFFFAOYSA-N 288.763 2.558 50 50 CFGA O=C(CCl)NCC[C@@H](c1ccccc1)N1CCCC1 1875375325 ZPTQIBBBCLUTKK-AWEZNQCLSA-N 280.799 2.569 50 50 CFGA CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)CCl 1875375446 CADYOJHHPFMGJD-HZSPNIEDSA-N 281.783 2.693 50 50 CFGA N#Cc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1 65355 BMZBZYYTJHWWGU-VCHYOVAHSA-N 283.718 2.976 50 50 CFGA CCCCOc1ccc(/C=C(/C#N)C(=O)OC)cc1 2513480 OGRFPMFIPGEDGU-RAXLEYEMSA-N 259.305 2.945 50 50 CFGA CC[Si](CC)(CC)OC[C@@H](C)COS(C)(=O)=O 196009186 SZQQMSOQVGLNIO-NSHDSACASA-N 282.478 2.621 50 50 CFGA Nc1nccc(CBr)c1C(F)(F)F 238698692 VQBOPBLKYBUEGY-UHFFFAOYSA-N 255.037 2.578 50 50 CFGA Cc1ccc(/C=N/NC(=O)COc2ccccc2)cc1 381227 GIDLJVYIOCEPHZ-GZTJUZNOSA-N 268.316 2.524 50 50 CFGA Cc1cccc(C(=O)NN/C=C/C(=O)c2ccccc2)c1 2893252 NBAUFXHBMACIBE-ZHACJKMWSA-N 280.327 2.626 50 50 CFGA Cc1ccc(F)c(NC(=O)[C@@H](C)Br)c1 235080205 WQICOAFQSCPZJS-SSDOTTSWSA-N 260.106 2.856 50 50 CFGA COCCN(/N=C/c1ccccc1)C(=O)OC(C)(C)C 261508304 RFYBSTQTLDHNDU-FOWTUZBSSA-N 278.352 2.904 50 50 CFGA CC1(CBr)CN(C(=O)OC(C)(C)C)C1 95743203 AIQVICNBUVBHFX-UHFFFAOYSA-N 264.163 2.638 50 50 CFGA in-vitro COc1cccc(/C=N\NC(=O)COc2ccc(C)cc2)c1 32565725 PLGYXVWQYZFSJN-WQRHYEAKSA-N 298.342 2.533 50 50 CFGA C[C@@H](Br)C(=O)N1CCCc2ccccc21 41716334 DCMLKTCEIHPSDS-SECBINFHSA-N 268.154 2.749 50 50 CFGA C[C@H](Br)c1cc2c(cc1[N+](=O)[O-])OCO2 225440517 JSESGFWDNDACQB-YFKPBYRVSA-N 274.070 2.779 50 50 CFGA COC(=O)N/N=C(\C)c1sc(-c2cccnc2)nc1C 5678678 HTEDKUAMLDYWGV-CXUHLZMHSA-N 290.348 2.594 50 50 CFGA C[C@H](Cl)C(=O)N[C@H]1c2cc(F)ccc2C[C@@H]1C 1875364113 DSCABVMTJPKNTC-YVZVNANGSA-N 255.720 2.803 50 50 CFGA Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(N)ccc21 207917 SFPXKNFIBGYPDW-MRXNPFEDSA-N 277.327 2.795 50 50 CFGA O=C(CBr)c1c(F)c(F)c(F)c(F)c1F 2566359 CIYHGZNFDGHGDK-UHFFFAOYSA-N 288.997 2.960 50 50 CFGA CC(C)(C)c1n[nH]c2c1[C@H](c1ccoc1)C(C#N)=C(N)O2 6720089 VIQMJBYAHSWKBD-SNVBAGLBSA-N 284.319 2.518 50 50 CFGA O=C(NNC(=O)c1ccccc1)Nc1cccc(Cl)c1 294339 ZNBXXUPNDIYNBB-UHFFFAOYSA-N 289.722 2.807 50 50 CFGA C/C(=N\NC(=O)COc1cccc(C)c1)c1ccccc1O 3577621 QSGZMFVDFIHWSG-QGOAFFKASA-N 298.342 2.620 50 50 CFGA CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C 169745038 HLDBBQREZCVBMA-UHFFFAOYSA-N 264.438 2.860 50 50 CFGA CC(C)(C)[Si](C)(C)O[C@H]1CCC[C@@]12OC(=O)C[C@@H]2O 169836743 PMQNJEKEPWINQU-MJVIPROJSA-N 286.444 2.607 50 50 CFGA O=C(CCl)NC1([C@H](O)c2ccc(F)cc2)CCCC1 1875376018 LWHAVYZKELZWOR-CYBMUJFWSA-N 285.746 2.527 50 50 CFGA O=C1OC(=O)[C@@H]2[C@@H]3CCCCC3=C3CCCC[C@@H]3[C@H]12 100759227 SLLYQMXCKAECGW-KPWCQOOUSA-N 260.333 2.993 50 50 CFGA CC(C)OC(=O)/C(C#N)=C\c1ccc(C2OCCO2)cc1 685940577 OOOXDUOTFQXKJE-ZROIWOOFSA-N 287.315 2.591 50 50 CFGA N#CSc1ccc(Br)cc1[N+](=O)[O-] 38537724 XGXZHZFRPAQKCH-UHFFFAOYSA-N 259.084 2.930 50 50 CFGA in-vitro CSc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1 250717 DHJHXGUOVSKGMP-MHWRWJLKSA-N 286.356 2.878 50 50 CFGA Cc1cc(C)cc(OCC(=O)NC(C#N)=C(Cl)Cl)c1 1775975685 KBBMKVJMXBQFKX-UHFFFAOYSA-N 299.157 2.969 50 50 CFGA C[C@H](Cl)C(=O)NCC(C)(C)Oc1ccccc1 1875364959 ZJVBPHWUCMOZSI-JTQLQIEISA-N 255.745 2.588 50 50 CFGA CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CCl 205236723 YAMOWKUDVMPVAY-UHFFFAOYSA-N 293.754 2.712 50 50 CFGA O=C(Cl)c1ccccc1CN1C(=O)c2ccccc2C1=O 1704257 TYMCVFIGEVISMA-UHFFFAOYSA-N 299.713 2.862 50 50 CFGA O=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccccc1 3072986 IIDRYIRGPKWBJV-YBFXNURJSA-N 277.327 2.861 50 50 CFGA C/C(=N\NC(=O)Cc1cccs1)c1ccccc1 4723855 DGBOKDCIOKZJBS-RVDMUPIBSA-N 258.346 2.831 50 50 CFGA Cc1ccc(C)c2c1CC[C@]13CC=CC[C@]21C(=O)OC3=O 101050644 MIMMUOMRPXKYRE-ZWKOTPCHSA-N 282.339 2.907 50 50 CFGA CC(C)(C)OC(=O)/C(C#N)=C1/C=CC(Br)=CN1 65337573 TVAOZGBCQIQOHY-KTKRTIGZSA-N 297.152 2.501 50 50 CFGA COc1ccc2ccc(=O)oc2c1C(C=O)=C(C)C 5158136 PBAZKMWQUBDDLZ-UHFFFAOYSA-N 258.273 2.794 50 50 CFGA biogenic,in-vitro Cc1c(CN(C[C@@H]2CC=CCC2)C(=O)CCl)cnn1C 1875374532 VLMODYBPMPUUFH-CYBMUJFWSA-N 295.814 2.652 50 50 CFGA C[C@H](NC(=O)CCl)c1nc2c(s1)C[C@H](C)CC2 1875367622 WIGZDVVUCKJXGH-SFYZADRCSA-N 272.801 2.684 50 50 CFGA CCN1CCC(=NNC(=O)c2ccc(Cl)s2)CC1 2325809653 UQDOOTVFMARBGK-UHFFFAOYSA-N 285.800 2.603 50 50 CFGA Cc1ccc(OCC(=O)N/N=C\c2ccccc2C)cc1 4989814 VWNIVWSCFZOXKP-WQRHYEAKSA-N 282.343 2.833 50 50 CFGA Cc1n[nH]c2c1[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 18283442 LFMRJDCCWCMETI-GFCCVEGCSA-N 286.722 2.590 50 50 CFGA CCO/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1 2170091 SUWQYQRJDNCPOP-DHZHZOJOSA-N 271.725 2.515 50 50 CFGA in-vitro CC(C)[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 274795 XYZKDCHIPYJMRU-LBPRGKRZSA-N 260.337 2.626 50 50 CFGA COc1cc(C2C(C#N)=C(C)NC(C)=C2C#N)ccc1O 390446 JIXBJWKWYBFKPE-UHFFFAOYSA-N 281.315 2.683 50 50 CFGA CC(Br)(CBr)CBr 1648355 OIRQLILPXCJMIY-UHFFFAOYSA-N 294.812 2.930 50 50 CFGA C[C@@H](NC(=O)CCl)c1nnc(-c2cccc(F)c2)s1 1875377659 KJCIVAYYNQRZOZ-SSDOTTSWSA-N 299.758 2.760 50 50 CFGA C[C@H](/C=N\NC(=O)c1ccc2c(c1)OCO2)c1ccccc1 5094552 YZGRSAOLUJAPDH-HIPMGEKLSA-N 296.326 2.935 50 50 CFGA Cc1n[nH]c2c1[C@H](CCc1ccccc1)C(C#N)=C(N)O2 5013160 CLUJSCJUGNRNCJ-GFCCVEGCSA-N 280.331 2.521 50 50 CFGA Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CCl)CC3 34926270 AYMOQCHEQIBRIR-UHFFFAOYSA-N 262.740 2.600 50 50 CFGA O=C(N/N=C/c1ccc(Cl)cc1)[C@H](O)c1ccccc1 435891 LJYYNLDTMXIBCP-NGWPFTMJSA-N 288.734 2.524 50 50 CFGA NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1 1639803 BLBSXELGHYWXGP-ZDUSSCGKSA-N 258.346 2.510 50 50 CFGA in-vitro C[C@@H](Cl)C(=O)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 1875377997 SZLVMPGGXAPTMR-GRYCIOLGSA-N 299.823 2.641 50 50 CFGA C[C@@H](Cl)C(=O)N1CCC[C@]2(C1)OCc1ccccc12 1875369114 ZNOFOIRFZZMHQE-IAQYHMDHSA-N 279.767 2.662 50 50 CFGA CC1(C)C[C@@H](O)c2cc(NC(=O)CCl)ccc21 1875377808 OCJCPOVLECPJFO-LLVKDONJSA-N 253.729 2.579 50 50 CFGA O=C(N/N=C/c1ccccc1Cl)[C@@H]1CC12CCC2 4956424 XYYRJNOPDNMDMF-UJFYRASASA-N 262.740 2.980 50 50 CFGA CC(C)=NNC(=O)COc1ccc(Cl)cc1Cl 6317788 ASAXJYGMRBTRNV-UHFFFAOYSA-N 275.135 2.884 50 50 CFGA Cc1cc(C(C)(C)C)ccc1OCc1cccc(B(O)O)c1 169903653 GWPBTVPFWPHZCI-UHFFFAOYSA-N 298.191 2.551 50 50 CFGA in-vitro COc1ccc(CC(=O)N/N=C(\C)c2ccc(C)o2)cc1 5019656 NGABUCDXSDWLTM-SFQUDFHCSA-N 286.331 2.680 50 50 CFGA O=C(Cl)c1cc(C(=O)Cl)cc(C(=O)Cl)c1 85848797 UWCPYKQBIPYOLX-UHFFFAOYSA-N 265.479 2.824 50 50 CFGA CC(C)(C)c1cc(C(=O)N/N=C/c2cccs2)[nH]n1 298004 GELFMYFARBCDEO-RIYZIHGNSA-N 276.365 2.533 50 50 CFGA NC(=O)N/N=C1\CCCc2c1ccc1ccccc21 43761395 XZSRJMKQHVJVHK-SAPNQHFASA-N 253.305 2.549 50 50 CFGA CC1(C)OC[C@@H](O)[C@@H](CCO[Si](C)(C)C(C)(C)C)O1 169837379 CJIAMZIRVBWAQU-VXGBXAGGSA-N 290.476 2.911 50 50 CFGA COC(=O)C(C#N)=Cc1ccc(OC)c(Br)c1 1857795557 UCKJLRXDNWBTDT-UHFFFAOYSA-N 296.120 2.538 50 50 CFGA CC[C@H](Br)C(=O)N1C[C@@H](C)C[C@@H](C)C1 32919641 POXJTHPOIZHMHG-AEJSXWLSSA-N 262.191 2.664 50 50 CFGA Cc1c(F)cccc1NC(=O)[C@@H](C)Br 235090535 NSWKTWVAADBTFJ-SSDOTTSWSA-N 260.106 2.856 50 50 CFGA C[C@@H](Cl)C(=O)N1CC[C@]2(CCc3ccccc3O2)C1 1875375379 AVMPAEPEGVLHKA-IAQYHMDHSA-N 279.767 2.610 50 50 CFGA Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(N)=O)c2C)cc1 442057 PBCKHSXOYIJSTP-OQLLNIDSSA-N 279.343 2.795 50 50 CFGA COc1ccc(C(=O)N/N=C/c2ccc(C)cc2)cc1OC 1457941 QVRLHSXBHNFRFF-WOJGMQOQSA-N 298.342 2.776 50 50 CFGA CN(C)/C=C(\C=O)c1ncc(C(F)(F)F)cc1Cl 1396643 WXHDOMJHHHLTPH-FNORWQNLSA-N 278.661 2.855 50 50 CFGA Cc1cc(C(=O)N/N=C/c2ccc(C(C)C)cc2)[nH]n1 18106398 ODMKBLJWEOYTKQ-CXUHLZMHSA-N 270.336 2.605 50 50 CFGA O=C(N/N=C/c1coc2ccccc2c1=O)C1CCCCC1 2521923 GTOQRIOMLXUJJY-VCHYOVAHSA-N 298.342 2.823 50 50 CFGA COC(=O)C1=C(C)NC(C)=C(C#N)[C@H]1c1ccccc1 407347 WKKBMBWWRBFCNR-OAHLLOKOSA-N 268.316 2.618 50 50 CFGA CCCc1[nH]nc2c1[C@@H]([C@@H]1CC=CCC1)C(C#N)=C(N)O2 6589209 QJOIOHIELFOAGM-MFKMUULPSA-N 284.363 2.888 50 50 CFGA CC1(C)CC(=O)[C@H](C(=O)Cc2ccccc2)C(=O)[C@@H]1Cl 100319461 IKZRJPUGMXAEHP-ZFWWWQNUSA-N 292.762 2.590 50 50 CFGA O=C(OCc1ccccc1)N1CC[C@@H](Br)C1 71257190 LWEKWWHCQBWMQC-LLVKDONJSA-N 284.153 2.792 50 50 CFGA CC(/C=N/NC(=O)[C@@H](O)c1ccccc1)=C\c1ccccc1 4694139 XPZPQHGHORQYJB-WBZKHOGWSA-N 294.354 2.926 50 50 CFGA Cc1nn(C)c(NC(=O)[C@H](C)Cl)c1-c1ccccc1 1875364656 PLOWKWYWQPQLHZ-VIFPVBQESA-N 277.755 2.961 50 50 CFGA CCn1cncc1[C@H]1CCCCN1C(=O)[C@@H](C)Cl 1875380515 RFWVFMCUHQFDRF-GHMZBOCLSA-N 269.776 2.584 50 50 CFGA COC(=O)c1ccc2ccccc2c1NC(=O)CCl 1875389958 XKOKYGNFSKRNPK-UHFFFAOYSA-N 277.707 2.804 50 50 CFGA CCOC(=O)/C(C#N)=C1/C=CN(c2ccc(C)cc2)C=N1 13112048 ZIJVAFAOGXCOHO-PFONDFGASA-N 281.315 2.698 50 50 CFGA N#CC1(N(Cc2ccccc2)C(=O)CCl)CCC1 1875303201 BGKVMDWETYXDNL-UHFFFAOYSA-N 262.740 2.700 50 50 CFGA N#C/C(=C\c1ccoc1)S(=O)(=O)c1ccccc1 609219 QWVKMSFUSCVFLY-MDWZMJQESA-N 259.286 2.618 50 50 CFGA C[C@H](Cl)C(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 1875380229 IYPWVSWMSCGVSF-YCRQMBEESA-N 277.673 2.703 50 50 CFGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(F)cc1 240749 XUMLBLRJFCHHSR-RFAUZJTJSA-N 298.317 2.886 50 50 CFGA Cc1cc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cs1 2749479 RFCHYTORAYOKHU-GIDUJCDVSA-N 288.328 2.549 50 50 CFGA C[C@H](Br)C(=O)Nc1cc(F)cc(F)c1 235446781 UTJFSBSMRYSRSQ-YFKPBYRVSA-N 264.069 2.687 50 50 CFGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccco1 42213 HGFGKQXKPKMVNA-LICLKQGHSA-N 280.283 2.902 50 50 CFGA COC(=O)[C@@H](Br)c1cccc(Cl)c1 82571824 KJOCXNLVYWTJLL-QMMMGPOBSA-N 263.518 2.949 50 50 CFGA in-vitro O=C(N/N=C/c1ccccc1F)c1ccc(Cl)cc1O 273667 UUDFBMKFPOKMMJ-CAOOACKPSA-N 292.697 2.949 50 50 CFGA COc1ccc(C(=O)N/N=C/c2ccc(C)cc2)cc1 292516 RWMZYWQVPPZVBI-GZTJUZNOSA-N 268.316 2.768 50 50 CFGA C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)CCl 1875375066 PMMXWNBFAGHOMD-SSDOTTSWSA-N 286.162 2.975 50 50 CFGA Cc1cc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)[nH]n1 263803 IWKXOUKIUQTCRN-GIDUJCDVSA-N 297.145 2.789 50 50 CFGA CC(C)c1ccc(NC(=S)NNC(=O)C2CC2)cc1 13519259 MMGMRZRNWCFNNP-UHFFFAOYSA-N 277.393 2.538 50 50 CFGA C[C@H](Cl)C(=O)N1CC2(C1)CC(C#N)(c1ccccc1)C2 1875376436 WQZKHXKZLZCVAY-LBPRGKRZSA-N 288.778 2.698 50 50 CFGA C[C@H]1C=CC[C@]23CCc4ccccc4[C@]12C(=O)OC3=O 101139500 MOHSPUUHSWDPSV-JECHBYEQSA-N 268.312 2.536 50 50 CFGA O=[N+]([O-])c1cc(CBr)c(F)cc1F 169801387 UBBBJTQIYVTWQJ-UHFFFAOYSA-N 252.014 2.768 50 50 CFGA C[C@@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@@H](c1ccccc1)C2 315577 XPUAIYQLZQFQRL-ZYHUDNBSSA-N 280.327 2.747 50 50 CFGA CCN(C)C(=O)c1cccc(-c2noc(CCl)n2)c1 34924939 PMABTQCCWOAMRD-UHFFFAOYSA-N 279.727 2.567 50 50 CFGA Cn1ncc(Br)c1-c1cccc(N=C=O)c1 40450052 AWGHDXMFEJGUKH-UHFFFAOYSA-N 278.109 2.817 50 50 CFGA CC(C)(CCl)c1nc(-c2ccc(N)cc2)no1 95494830 VHKQRVDCFPITCT-UHFFFAOYSA-N 251.717 2.835 50 50 CFGA Cc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2O)o1 372788 RGULXQDZOITCAN-VIZOYTHASA-N 278.695 2.711 50 50 CFGA COC(=O)c1oc(Br)cc1CBr 1535645486 FKERSYGGHVWAHC-UHFFFAOYSA-N 297.930 2.724 50 50 CFGA C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 12403622 VNPBYFMDTCBKNK-LFIBNONCSA-N 283.287 2.749 50 50 CFGA Cc1ccc(/C=N/NC(=O)c2cccs2)s1 32455 XRQHVHXIZQRRNU-KPKJPENVSA-N 250.348 2.882 50 50 CFGA CN(C(=O)CCl)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 1875377761 MZRKITYNRFRLBL-QWHCGFSZSA-N 285.746 2.743 50 50 CFGA C[C@H](O)C[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCl 1875381675 CXTFUEPMEGSIJB-MNOVXSKESA-N 287.762 2.553 50 50 CFGA COc1cc([C@@H](F)CNC(=O)CCl)ccc1Cl 1875368667 JGLZZJDUUBLJQD-VIFPVBQESA-N 280.126 2.714 50 50 CFGA CO[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@@H]1C)[C@@]24OO3 1641894 SXYIRMFQILZOAM-USVKDBARSA-N 298.379 2.841 50 50 CFGA biogenic N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccsc1 208005 PHLLNPFXPWAUAC-CYBMUJFWSA-N 269.329 2.548 50 50 CFGA O=C(O)c1ccc(OC(F)(F)[C@H](F)Cl)cc1 1655606 UBPJCHITDRIJEB-QMMMGPOBSA-N 254.591 2.891 50 50 CFGA CCc1nc(C)c([C@H](C)N(C)C(=O)CCl)s1 1336909939 IGZPPABWDBOGPI-QMMMGPOBSA-N 260.790 2.772 50 50 CFGA O=C(Cc1cc2ccccc2[nH]1)N/N=C/c1ccc(O)cc1 431863 GGHNIUDLVXCLQW-WOJGMQOQSA-N 293.326 2.566 50 50 CFGA CC(C)c1cc(C(=O)N/N=C/c2ccc[nH]2)cs1 2743868 ZYKBBNSMXFATGD-VIZOYTHASA-N 261.350 2.964 50 50 CFGA O=C(N/N=C\c1ccc(O)cc1)c1cccc2cc[nH]c12 32678364 FZAPMQAHUPXEGL-ZDLGFXPLSA-N 279.299 2.637 50 50 CFGA O=C(N/N=C(/c1ccccc1)C(F)(F)F)c1ccncc1 3585843 HSLNJPGFVWIQSL-UNOMPAQXSA-N 293.248 2.778 50 50 CFGA COc1cc2c(cc1OC)[C@H](C)N(CCCl)CC2 337322 DLQJDVBELUCAFA-JTQLQIEISA-N 269.772 2.862 50 50 CFGA CCO[Si](Cc1ccccc1)(OCC)OCC 195764117 CPLASELWOOUNGW-UHFFFAOYSA-N 254.402 2.817 50 50 CFGA Cc1ccc(/C=N/NC(=O)c2cccc(F)c2)c(O)c1 298745 BZYLTVNLMZDREL-RQZCQDPDSA-N 272.279 2.604 50 50 CFGA O=C(CCl)N[C@@H]1CCCc2cn(C3CCCC3)nc21 1875377144 AEUCEKXBSIGOQQ-GFCCVEGCSA-N 281.787 2.731 50 50 CFGA O=C(NNC(=O)[C@H]1C[C@H]1c1ccccc1)Nc1ccccc1 283287 JUSNOMZKMFSVBU-GJZGRUSLSA-N 295.342 2.643 50 50 CFGA CSc1nc(Cl)c(C(=O)Cl)c(Cl)n1 86005635 MHZGWIOWCZZQNF-UHFFFAOYSA-N 257.529 2.884 50 50 CFGA in-vitro C[C@]12C[C@H](Br)[C@@H](Br)C[C@@]1(C)O2 101137754 ZQEYVDVWGJJBOA-DKXJUACHSA-N 283.991 2.855 50 50 CFGA CC1(C)OB(c2cccc(CBr)c2)OC1(C)C 169747559 WUIYGXGXVOHAFW-UHFFFAOYSA-N 297.001 2.881 50 50 CFGA in-vitro CC(C)(NC(=O)CCl)c1ccc(Cl)cc1O 1875367843 RSYDERPUQQWQHN-UHFFFAOYSA-N 262.136 2.636 50 50 CFGA Br[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1Br 104212685 QMXMUMFLBFAAGK-ZTYPAOSTSA-N 251.949 2.719 50 50 CFGA CC(C)(C)[Si](C)(C)OC(=O)CBr 170174182 LGIGKRBWJCLGHJ-UHFFFAOYSA-N 253.212 2.930 50 50 CFGA CO[C@@](C(=O)Cl)(c1ccccc1)C(F)(F)F 2539663 PAORVUMOXXAMPL-SECBINFHSA-N 252.619 2.856 50 50 CFGA in-vitro COC(=O)NNC(=S)Nc1ccc(Cl)cc1Cl 611574 DWNHOAITCNQJHX-UHFFFAOYSA-N 294.163 2.551 50 50 CFGA CCOC(=O)[C@H](I)c1ccccc1 39616242 GFYUBPKXVMWINH-SECBINFHSA-N 290.100 2.726 50 50 CFGA in-vitro CN(C)c1ccc(/C=N/NC(=O)C2CCCCC2)cc1 511035 RLMSXUQFKAPYKK-SFQUDFHCSA-N 273.380 2.783 50 50 CFGA CCO[Si](CNc1ccccc1)(OCC)OCC 169748382 KOVKEDGZABFDPF-UHFFFAOYSA-N 269.417 2.686 50 50 CFGA C[C@H](Cl)C(=O)NC(C)(C)CCN1CCCCCC1 1875366123 OSGFHBBCIWUETN-LBPRGKRZSA-N 274.836 2.775 50 50 CFGA Cc1ccsc1/C=N/NC(=O)c1ccc(O)cc1 259538 SLTNEGLZJKMKSA-RIYZIHGNSA-N 260.318 2.526 50 50 CFGA N#CC1=C(S)N(c2ccccc2)C2(CCCCC2)NC1=O 613274 OXBBAIOVUJJDDT-UHFFFAOYSA-N 299.399 2.948 50 50 CFGA COc1ccccc1/C=C/C=N/NC(=O)c1cccnc1 2239204 BENKIWKSMSTNLN-FJIBGIISSA-N 281.315 2.519 50 50 CFGA CC(C)c1ccc(/C=N/NC(=O)c2ccncc2)cc1 61615 DQCYGHZYQXQFRU-WOJGMQOQSA-N 267.332 2.969 50 50 CFGA O=C(CCl)Nc1ccc(OC(F)(F)F)cc1 86211 MIWYZHHKNDZBCB-UHFFFAOYSA-N 253.607 2.763 50 50 CFGA biogenic,in-vitro O=C(NNc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 4828736 PQDOAHFSNXUYTL-UHFFFAOYSA-N 290.254 2.883 50 50 CFGA Cc1noc(-c2ccc(CBr)cc2)n1 12370447 RWTXHMRWDVQEOV-UHFFFAOYSA-N 253.099 2.940 50 50 CFGA O=C(NN=C1C2CC3CC(C2)CC1C3)c1ccccn1 300497 NNCBFPDKFSWQJP-UHFFFAOYSA-N 269.348 2.624 50 50 CFGA FC(F)(F)C1(C(F)(F)F)[C@H]2C[C@H]3[C@@H]([C@@H]2Cl)[N@]31 1857524887 KTZIHWKLLROSMN-UAMLKWFASA-N 265.584 2.544 50 50 CFGA Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1ccc(F)cc1 447356 ATVBCOVENJMSSL-VXLYETTFSA-N 298.321 2.597 50 50 CFGA CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cnn[nH]2)cc1 1775999273 GVWMKHYVEHRCRB-LFTLCWSBSA-N 295.346 2.864 50 50 CFGA Cc1ccc(NCC(=O)NN=C2CCCCC2)cc1 220155 FGHLAUMZYWHLOS-UHFFFAOYSA-N 259.353 2.843 50 50 CFGA CC[C@H](Br)C(=O)N1C[C@H](C)C[C@@H](C)C1 32919645 POXJTHPOIZHMHG-BBBLOLIVSA-N 262.191 2.664 50 50 CFGA CCOC(=O)N/N=C/c1ccc2cc(OC)ccc2c1 291289 CKHRSFURMCZESG-MHWRWJLKSA-N 272.304 2.928 50 50 CFGA CC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2C)cc1 4259513 XLPQCMZCASBXJS-WOJGMQOQSA-N 296.326 2.684 50 50 CFGA Cc1cc(NC(=O)CCl)nc(-c2ccccc2)n1 1775988724 CRYZXUTUMBTCRM-UHFFFAOYSA-N 261.712 2.629 50 50 CFGA O=C(Oc1ccc([N+](=O)[O-])cc1)C1[C@H]2CCCC[C@H]12 100035775 CLCUOMFYLGWDBT-RYUDHWBXSA-N 261.277 2.936 50 50 CFGA CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1O 130769 RJOPYGJDZOXVOM-GZTJUZNOSA-N 284.315 2.555 50 50 CFGA O=C(CBr)c1cc(Br)ccc1O 2572301 FZIUHYVCSFQKFC-UHFFFAOYSA-N 293.942 2.732 50 50 CFGA in-vitro CS(=O)(=O)c1cc(Cl)ccc1CBr 154104 YPJUEZDBZCTJDB-UHFFFAOYSA-N 283.574 2.638 50 50 CFGA CCOC(=O)CCCCCC[C@H](Br)[N+](=O)[O-] 101041710 OZWRJWCWZUTFLZ-SECBINFHSA-N 296.161 2.888 50 50 CFGA Cc1ccc(C)c2c1CC[C@]13CC=CC[C@@]21C(=O)OC3=O 101050639 MIMMUOMRPXKYRE-ROUUACIJSA-N 282.339 2.907 50 50 CFGA COc1cccc(/C=N/NC(=O)c2cccs2)c1OC 228050 XVOKHYQBLJPQMJ-OQLLNIDSSA-N 290.344 2.529 50 50 CFGA C[C@@H]1CC[C@@H](NC(=O)CCl)Cc2ccccc21 1875368192 XYOUCMRXKUBXRA-ZYHUDNBSSA-N 251.757 2.850 50 50 CFGA CCCN1CCN(C(=O)[C@H](F)Cl)c2cc(F)ccc21 2325898214 XBRWALFMLURAOZ-LBPRGKRZSA-N 288.725 2.923 50 50 CFGA CCOc1ccc(NCC(=O)N/N=C/c2ccccc2)cc1 252258 DUUQQRVTEXNVGN-XDHOZWIPSA-N 297.358 2.648 50 50 CFGA C/C(=N/NC(=O)c1ccc(N)cc1)c1ccc(C)cc1 4774639 KFTBFABBIIJGQL-PDGQHHTCSA-N 267.332 2.731 50 50 CFGA Cc1ccc(Cl)cc1NC(=O)CBr 58863798 JONPOWNYKLGQBI-UHFFFAOYSA-N 262.534 2.982 50 50 CFGA Cc1cccc(NC(=O)NNC(=O)c2cccc(F)c2)c1 370780 HFSLDPFSDLKGFY-UHFFFAOYSA-N 287.294 2.601 50 50 CFGA O=C(CCl)N1CCCc2c(Cl)cccc2C1 2325901679 SUBBELSDXAGNBD-UHFFFAOYSA-N 258.148 2.854 50 50 CFGA N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)O 163251 AUGNMCXVCRYQIO-YFHOEESVSA-N 284.227 2.846 50 50 CFGA COc1ccc(/C=N/NC(=O)c2cc(C)oc2C)cc1 228307 WYQPUWNVPXTVGL-CXUHLZMHSA-N 272.304 2.669 50 50 CFGA C[C@H](Cl)C(=O)N1CC2(CC2)Oc2ccccc21 1875367316 VTRIUCFMJCDKLJ-VIFPVBQESA-N 251.713 2.572 50 50 CFGA COc1ccc(C(=O)O)c(OC(F)(F)[C@@H](F)Cl)c1 2170582 HMGQYOFKTWJLKK-SECBINFHSA-N 284.617 2.899 50 50 CFGA CCOc1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1 493498 CADQIMIJVVDWMQ-GZTJUZNOSA-N 284.315 2.555 50 50 CFGA CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2)C(C#N)=C(C)N1 19418549 GHHCDXCIGHDXQB-UHFFFAOYSA-N 280.287 2.877 50 50 CFGA Cc1ccc(-c2sc(C(=O)NN)c(C)c2C#N)cc1 296325 PPMYPMZSKXINOE-UHFFFAOYSA-N 271.345 2.507 50 50 CFGA CCCCCC(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1 2854376 WHUYTQOXEKHYCX-XNTDXEJSSA-N 293.323 2.634 50 50 CFGA O=C(CCCl)Nc1cc(C(=O)O)ccc1Cl 74941591 NVRSTAFTHHDUEC-UHFFFAOYSA-N 262.092 2.606 50 50 CFGA O=C(CCl)N[C@@H](c1cc(F)ccc1F)C(F)F 1875366579 ZFZXPBQLKSUXGG-VIFPVBQESA-N 269.625 2.626 50 50 CFGA CCC(C)(C)CN(C(=O)CCl)[C@H](C)Cc1cnn(C)c1 1875382637 KMFMIVZZZPAIGX-GFCCVEGCSA-N 299.846 2.855 50 50 CFGA O=C(CCl)NC1([C@@H](O)c2ccc(F)cc2)CCCC1 1875376019 LWHAVYZKELZWOR-ZDUSSCGKSA-N 285.746 2.527 50 50 CFGA CCc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)s1 43754 ONZHQPIVGBECAA-GFCCVEGCSA-N 286.360 2.560 50 50 CFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cccs1 76461 QNKLFXOIWHDUEL-GFCCVEGCSA-N 272.329 2.563 50 50 CFGA NNC(=O)c1cccc(COc2cccc(Cl)c2)c1 2578463 SFAJABYYVXXUNH-UHFFFAOYSA-N 276.723 2.523 50 50 CFGA CC/C(=N\NC(=O)c1n[nH]c2c1CCCC2)c1ccccc1 5359268 WLORXXPLRWKFBY-NBVRZTHBSA-N 296.374 2.833 50 50 CFGA C[C@H]1CCCN(Cc2ccc(CNC(=O)CCl)cc2)C1 238851217 FTZJSJQGYPYLHY-ZDUSSCGKSA-N 294.826 2.774 50 50 CFGA CC1CCN(S(=O)(=O)c2ccc(N=C=S)cc2)CC1 19737299 WYECLMZMTKSUHR-UHFFFAOYSA-N 296.417 2.842 50 50 CFGA Nc1ccccc1P(=O)(c1ccccc1)c1ccccc1 101619828 XLTWARDRTAZTLL-UHFFFAOYSA-N 293.306 2.908 50 50 CFGA O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccco2)n[nH]1 264595 ITRJXCBJFZCDFT-RQZCQDPDSA-N 298.277 2.573 50 50 CFGA C[C@H](Cl)C(=O)N[C@@H](C)c1ccc(C#N)cc1F 1875378226 XUDNZXDFJQLGLU-YUMQZZPRSA-N 254.692 2.502 50 50 CFGA C[C@@H](Cl)C(=O)N[C@@H](c1ccnc(Cl)c1)C1CC1 1875378085 VLCWNJPTHRZKSX-RDDDGLTNSA-N 273.163 2.930 50 50 CFGA O=C(Cl)c1cc2cc(Br)ccc2oc1=O 40451429 LHZWVEWBXKXFMS-UHFFFAOYSA-N 287.496 2.935 50 50 CFGA O=C(Cl)CC(=O)Cc1ccccc1C(F)(F)F 263623817 KYNALMMEXJIRML-UHFFFAOYSA-N 264.630 2.973 50 50 CFGA O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cccc(Cl)c1 125128 OZUAUSXLSGIQMA-VGOFMYFVSA-N 293.666 2.605 50 50 CFGA O=C(CCn1cnc2ccccc21)N/N=C/c1ccccc1 536013 KGMAYUILEUVBEY-XDHOZWIPSA-N 292.342 2.577 50 50 CFGA CSC1=C(C#N)[C@H](C)C2=C(CC(C)(C)CC2=O)N1 19595571 NGTKTQYHJRSYKO-QMMMGPOBSA-N 262.378 2.967 50 50 CFGA COc1c(F)cc(CCBr)cc1F 169796283 VUJHTLHJEBCCIJ-UHFFFAOYSA-N 251.070 2.911 50 50 CFGA CC(C)(C)OC(=O)N/N=C(\N)COc1cccc(Cl)c1 43769295 RDEOMXSPCUISMT-UHFFFAOYSA-N 299.758 2.516 50 50 CFGA CCOC(=O)/C(C#N)=C/Nc1ccc2nc(C)sc2c1 2546536 OQMKBGMDDCIGJR-CSKARUKUSA-N 287.344 2.987 50 50 CFGA Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(N)ccc21 207914 SFPXKNFIBGYPDW-INIZCTEOSA-N 277.327 2.795 50 50 CFGA Cc1cccc(C)c1Nc1nc(N)nc(CCl)n1 1441475 KZVJCCRYJISPAY-UHFFFAOYSA-N 263.732 2.553 50 50 CFGA COc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(O)cc1 434406 HDHIFQMHEBZOHB-RAXLEYEMSA-N 294.310 2.946 50 50 CFGA O=C(N/N=C/c1ccccc1)c1cc(-c2cccs2)n[nH]1 6025617 RKHHBSJTVGBQCN-MHWRWJLKSA-N 296.355 2.902 50 50 CFGA CO[C@](C(=O)Cl)(c1ccccc1)C(F)(F)F 2584598 PAORVUMOXXAMPL-VIFPVBQESA-N 252.619 2.856 50 50 CFGA in-vitro C[C@H](NC(=O)CCl)c1nc2ccccc2n1C(F)F 1324702360 WPYCAGVBHPVHIS-ZETCQYMHSA-N 287.697 2.847 50 50 CFGA O=S1(=O)C[C@]23CC=CC[C@]2(CCCC3)[C@@H]1Cl 216342647 UYOHILFSRPWGMM-UTUOFQBUSA-N 260.786 2.877 50 50 CFGA CCOC(=O)c1sc(SC#N)c(C(=O)OCC)c1C 402610 VEVQXVCSCLGZCK-UHFFFAOYSA-N 299.373 2.983 50 50 CFGA Cc1cc(C(=O)N/N=C/c2ccccc2C(F)(F)F)[nH]n1 8556243 LOQNMTCMMDTSNV-REZTVBANSA-N 296.252 2.501 50 50 CFGA O=C(CCl)c1cc(Br)c(F)cc1O 307087929 SKHQPQDHKUSCGE-UHFFFAOYSA-N 267.481 2.715 50 50 CFGA COC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 4541916 ADCUXMCNVVBVDC-DHZHZOJOSA-N 298.254 2.935 50 50 CFGA CCn1cncc1[C@@H]1CCCCN1C(=O)[C@@H](C)Cl 1875380516 RFWVFMCUHQFDRF-MNOVXSKESA-N 269.776 2.584 50 50 CFGA CCOC(=O)CCCC[C@H](Cl)C(=O)CCl 101364091 KODFTYULEJDLTQ-QMMMGPOBSA-N 255.141 2.525 50 50 CFGA CN(NC(=O)[C@@H]1CCOc2ccccc21)c1ccccc1 728209100 YEESZWJTLPIAGY-OAHLLOKOSA-N 282.343 2.720 50 50 CFGA COC(=O)C=Cc1ccc(CBr)cc1 1857524290 ZSRCGGBALFGALF-UHFFFAOYSA-N 255.111 2.768 50 50 CFGA O=C(C[C@@H]1CCCCCN1C(=O)CCl)c1ccco1 1320465863 PSCMAHNQOAIJHP-NSHDSACASA-N 283.755 2.862 50 50 CFGA O=C(N/N=C/[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1C[C@H]2CC[C@H]1C2 111088982 SETCSWXEUHFLEF-BHDUHVQYSA-N 260.381 2.961 50 50 CFGA C[C@H](Br)C(=O)NCc1cccc(Cl)c1 41717101 POKKIWZOQVLVAY-ZETCQYMHSA-N 276.561 2.740 50 50 CFGA CC(=O)C/C(C)=N/NC(=O)c1ccc(Br)cc1 100300191 VDQBBCHQFWJHSI-RIYZIHGNSA-N 297.152 2.534 50 50 CFGA Cc1cc(C(=O)N/N=C/c2cccc3ccccc23)no1 2783127 YJUJYCHLJXAJIM-LICLKQGHSA-N 279.299 2.900 50 50 CFGA O=C(Cl)c1cc(Cl)ncc1Br 263624593 RVASMDWQSBZSBU-UHFFFAOYSA-N 254.898 2.877 50 50 CFGA N#CC(C#N)=Cc1ccc(Br)c2nsnc12 95100105 ZNWYPDKJWGLSQU-UHFFFAOYSA-N 291.133 2.884 50 50 CFGA C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C\c1ccc(C#N)cc1 253388583 RKZAWWHRWQDNBK-SJZRYWCPSA-N 281.359 2.835 50 50 CFGA CC(C)(C)OC(=O)n1c([Si](C)(C)O)cc2ccccc21 169744943 ARJIKJGACIMUOM-UHFFFAOYSA-N 291.423 2.829 50 50 CFGA in-vitro O=C(N/N=C/c1cccc(Cl)c1Cl)c1cnccn1 1823650 TWMCVFQRWIEAHV-UBKPWBPPSA-N 295.129 2.547 50 50 CFGA CC(C)(C)[C@H]1CCc2c(C(=O)NN)csc2C1 2754873 ADZMWTXQEPTOOS-QMMMGPOBSA-N 252.383 2.503 50 50 CFGA CCOc1ccc([C@@H]2CC(=O)NC(SC)=C2C#N)cc1 9110018 PPVUZHPSNFNHQP-LBPRGKRZSA-N 288.372 2.787 50 50 CFGA C[C@@]1(C(=O)Nc2ccccc2F)C[C@@H]1Br 864058255 RQOGOMCSJMXPLG-GXSJLCMTSA-N 272.117 2.938 50 50 CFGA C[C@@H](Cl)C(=O)NC(C)(C)CCN1CCCCCC1 1875366122 OSGFHBBCIWUETN-GFCCVEGCSA-N 274.836 2.775 50 50 CFGA O=C(Cc1ccccc1)N/N=C/[C@H]1C[C@H]2CC[C@H]1C2 101787698 ILMWOYQXYMVDBH-HFTGGOEYSA-N 256.349 2.767 50 50 CFGA CC(C)=C1[C@H]2C3=C([C@H]4CC[C@H]3C4)[C@H]1[C@H]1C(=O)OC(=O)[C@H]21 101052972 LYTGSSQGAGFBTP-PCBZKPLYSA-N 270.328 2.625 50 50 CFGA CC[C@@H]1[C@@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 34954470 VTUSSDFWHHKMGK-DGCLKSJQSA-N 252.321 2.523 50 50 CFGA CCOC(=O)/C(C#N)=C/c1ccc(Br)o1 2173522 MZRQKTCUZZQCMY-FNORWQNLSA-N 270.082 2.512 50 50 CFGA O=C(CCl)N[C@@]1(C(F)(F)F)CCc2ccccc21 1875377922 RHPNIEOEVHDJHC-NSHDSACASA-N 277.673 2.745 50 50 CFGA CCC(C)(C)CN(Cc1cc(C)n(C)n1)C(=O)CCl 1875381586 ACWXYZOAFWIYIW-UHFFFAOYSA-N 285.819 2.732 50 50 CFGA C/C(=N/NC(=O)c1ccccc1[N+](=O)[O-])c1cccs1 4997351 YEURDXWNPPTCLH-ZROIWOOFSA-N 289.316 2.810 50 50 CFGA C[C@@H](Cl)C(=O)N1[C@H]2CC[C@H]1CC1(C2)CC1(F)F 1875366932 YXBCYGUDEKJGQE-VGMNWLOBSA-N 263.715 2.793 50 50 CFGA C[C@H](Cl)C(=O)N1CCC[C@H]1C[C@@H](O)c1cccs1 1875364250 LQEQYKHBTDEXGP-GARJFASQSA-N 287.812 2.790 50 50 CFGA Cc1ccc(C)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c1 42571 WTLPGMMDNZFSJH-CQSZACIVSA-N 280.331 2.553 50 50 CFGA CCCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H](C)Cl 1875363717 UTCVDGDVAYBLMK-VXGBXAGGSA-N 297.782 2.692 50 50 CFGA OC1(C(Br)Br)CCCCC1 101364321 CVISDRZPEWFBOR-UHFFFAOYSA-N 271.980 2.798 50 50 CFGA N#C/C(=C/c1ccccc1O)C(=O)Nc1ccc(O)cc1 434449 FDGMXPBYQWHLND-XFXZXTDPSA-N 280.283 2.643 50 50 CFGA O=C(CCl)NCc1cc2cc(F)ccc2s1 1875363667 QXUFNENJMDSCAT-UHFFFAOYSA-N 257.717 2.895 50 50 CFGA COC(OC)c1ccc(-c2noc(CCl)n2)cc1 34924930 WGMLYYJWWHILRQ-UHFFFAOYSA-N 268.700 2.767 50 50 CFGA C[C@]1(C(=O)Nc2ccccc2F)C[C@@H]1Br 864058264 RQOGOMCSJMXPLG-ONGXEEELSA-N 272.117 2.938 50 50 CFGA CC(C)[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 4014938 KGFLMYRETVZUOX-GFCCVEGCSA-N 280.331 2.903 50 50 CFGA CC1CCN(c2cc[n+](CCBr)cc2)CC1 5307104 RTGZFTCNMUDRQZ-UHFFFAOYSA-N 284.221 2.605 50 50 CFGA NNC(=O)CCn1c(-c2ccccc2)cc2ccccc21 2529533 ZNIRFOUVKLNUBV-UHFFFAOYSA-N 279.343 2.688 50 50 CFGA CCc1ccccc1NC(=O)[C@@H](C)Br 32919940 LWJAXGNJDOGSJL-MRVPVSSYSA-N 256.143 2.971 50 50 CFGA O=[N+]([O-])c1ccc(CI)cc1 1594292 INKNHBKFSPIMKS-UHFFFAOYSA-N 263.034 2.530 50 50 CFGA biogenic CCOC(=O)CC(=O)CO[Si](C)(C)C(C)(C)C 169983638 KXIDAKWIDDYFGB-UHFFFAOYSA-N 260.406 2.531 50 50 CFGA C[C@@H](Cl)C(=O)N1CC[C@@H](c2ccc(F)c(F)c2)C1 1875369845 LZAKKIMEGCGIBH-PSASIEDQSA-N 273.710 2.908 50 50 CFGA Cc1ccc(/C=N/NC(=O)c2cc(-c3ccco3)n[nH]2)cc1 9046751 SWJUOYRRACRFKN-LICLKQGHSA-N 294.314 2.742 50 50 CFGA O=C(NN=Cc1ccc2c(c1)CCC2)c1ccc(O)cc1 25666258 KEDXKKXQARPAEP-UHFFFAOYSA-N 280.327 2.645 50 50 CFGA CC/C(Cc1ccccc1)=N/NC(=O)c1ccncc1 130548 JVTHFJTZZWHGTE-SDXDJHTJSA-N 267.332 2.820 50 50 CFGA O=C(CCl)Nc1nnc(C2CCCCC2)s1 2569086 ACEZIQNQBGAOOK-UHFFFAOYSA-N 259.762 2.763 50 50 CFGA O=C(Oc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CCCC[C@H]21 247295402 CLCUOMFYLGWDBT-ITGUQSILSA-N 261.277 2.936 50 50 CFGA N#C/C(=C\c1ccc(Cl)cc1)C(=O)NCc1cccnc1 227263 WRCIMXYKOYJDGQ-RIYZIHGNSA-N 297.745 2.958 50 50 CFGA Cc1ccccc1OCC(=O)N/N=C/c1ccccc1 242816 SJNMOPWIYRPCQU-GZTJUZNOSA-N 268.316 2.524 50 50 CFGA CCN(Cc1ccccc1)C(=O)[C@H](C)Br 41689717 TVRYYOAYZKYXNU-JTQLQIEISA-N 270.170 2.819 50 50 CFGA CC(C)(C)OC(=O)N1CC[C@@H](CBr)C1 12953883 NQNGQGISAMHLST-QMMMGPOBSA-N 264.163 2.638 50 50 CFGA in-vitro COC(=O)C1=C(C)c2cc3c(cc2[C@H]1Cl)OCO3 2466241 WBWCDADOSSEGMB-GFCCVEGCSA-N 266.680 2.655 50 50 CFGA COc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1C 247460 XLOXVKJZUFUGHX-NTEUORMPSA-N 296.326 2.820 50 50 CFGA C/C(=N\NC(=O)c1cc(C2CC2)n[nH]1)c1ccc(C)cc1 5687217 WIABNQXUNUOVDQ-GZTJUZNOSA-N 282.347 2.750 50 50 CFGA COC(=O)c1ccccc1OC(F)(F)[C@@H](F)Cl 2162100 QEZLBZLCQDPNAR-SECBINFHSA-N 268.618 2.979 50 50 CFGA Cc1ccc(C)c(OCC(=O)N/N=C/c2ccsc2)c1 370876 MHIDHSOMFOLIFM-LZYBPNLTSA-N 288.372 2.894 50 50 CFGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1 580809 RQOSPCHXVNGXTI-XNTDXEJSSA-N 284.275 2.750 50 50 CFGA Cc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 435808 CHQGMIODLKNGMK-MHWRWJLKSA-N 283.287 2.667 50 50 CFGA C/C(=N\NC(=O)c1cc(C(C)(C)C)n[nH]1)c1cccs1 5403066 RAIKIEYQVKGLEI-OQLLNIDSSA-N 290.392 2.923 50 50 CFGA Cc1cc(Br)ccc1NC(=O)CCl 2635286 AKNLFHJQVCPHHO-UHFFFAOYSA-N 262.534 2.935 50 50 CFGA in-vitro CC(=O)OCC/C=C/CCCI 43761491 MPATYSYNNKUQCC-DUXPYHPUSA-N 282.121 2.711 50 50 CFGA CCOc1cccc2cc(C(=O)Cl)c(=O)oc12 40451428 PZUULGYUMDVDKF-UHFFFAOYSA-N 252.653 2.571 50 50 CFGA Cc1ccc(C(=O)N/N=C/c2nc3ccccc3n2C)cc1 100479857 GMZKZKKUGRZMQA-WOJGMQOQSA-N 292.342 2.646 50 50 CFGA O=C(NNC(=O)c1ccco1)c1ccc(Cl)c(Cl)c1 4695702 RTWVTGOCSYVMOT-UHFFFAOYSA-N 299.113 2.661 50 50 CFGA O=C(CCl)NCCc1c[nH]c2c(F)cc(Cl)cc12 1875366821 HHGZMYTVYRCIDW-UHFFFAOYSA-N 289.137 2.858 50 50 CFGA CCOC1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)cc1 184584 FHCNIBSFLUXBIE-AWEZNQCLSA-N 286.331 2.771 50 50 CFGA C[C@@H](Cl)C(=O)N(C)Cc1nccn1Cc1ccccc1 1875364300 NMJHZJOUZUINPK-GFCCVEGCSA-N 291.782 2.517 50 50 CFGA CCCCNC(=O)/C(C#N)=C/c1cccn1C(F)F 1615549746 JCAXMMAOEQXLJM-CSKARUKUSA-N 267.279 2.706 50 50 CFGA COc1ccccc1/C=N/NC(=O)c1ccc(C)cc1 498168 OQPLVQRJZGMDOJ-GZTJUZNOSA-N 268.316 2.768 50 50 CFGA COc1cc2c(cc1OC)[C@@H](C)N(CCCl)CC2 337328 DLQJDVBELUCAFA-SNVBAGLBSA-N 269.772 2.862 50 50 CFGA CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccoc1 217238 CLYLARRMMIGEHA-OAHLLOKOSA-N 281.315 2.564 50 50 CFGA O=C1S[C@@H](Br)C(=O)N1c1ccccc1 977242 UIHNEVQRIPDFOQ-SSDOTTSWSA-N 272.123 2.607 50 50 CFGA CC1(C)CC(=O)[C@@H](C(=O)Cc2ccccc2)C(=O)[C@@H]1Cl 100319466 IKZRJPUGMXAEHP-HIFRSBDPSA-N 292.762 2.590 50 50 CFGA CC(C)[C@@H](CO)NC(=O)CCCC[C@@H]1CCSS1 182632037 GCWMERSAJNFQBB-VXGBXAGGSA-N 291.482 2.834 50 50 CFGA biogenic CO[C@@]1(C)OO[C@](C)(O)C12[C@H]1CC[C@H]2c2ccccc21 247887511 SBLJMFQAJJHXCN-AJNGGQMLSA-N 276.332 2.681 50 50 CFGA CCC(CC)c1cc(CNC(=O)[C@H](C)Cl)on1 1875364762 SWGZAOLTZVAEAC-QMMMGPOBSA-N 258.749 2.822 50 50 CFGA O=C(NNC(=O)c1sccc1Cl)c1cccs1 333997 VJIOMBMUZCYCMZ-UHFFFAOYSA-N 286.765 2.538 50 50 CFGA O=C(NNC(=O)c1ccccc1F)c1ccc(Cl)cc1 568794 GRPRKKYWSCPUTJ-UHFFFAOYSA-N 292.697 2.554 50 50 CFGA C/C(=N\NC(=O)c1cnccn1)c1ccc2ccccc2c1 4531276 OOVXEXYJDOOOPY-UDWIEESQSA-N 290.326 2.784 50 50 CFGA C[C@H](Br)c1ccccc1N1C(=O)CCC1=O 2155931 CDGWRUPSIDTGRL-QMMMGPOBSA-N 282.137 2.796 50 50 CFGA Cc1ccc(NC(=O)NC(=O)CCBr)cc1C 22341353 VPFUDGGQFWDCJE-UHFFFAOYSA-N 299.168 2.737 50 50 CFGA O=C(CCC(=O)Nc1ccccc1)NN=C1CCCCC1 433476 NBUXLFDZQPTKAU-UHFFFAOYSA-N 287.363 2.842 50 50 CFGA Cc1cc(C(C)(C)C)ccc1OCc1ccccc1B(O)O 169903676 DUXBNUDEXAKRNL-UHFFFAOYSA-N 298.191 2.551 50 50 CFGA in-vitro Cc1ccccc1OCCOCCBr 2894304 ZIRWEUZCROTEKF-UHFFFAOYSA-N 259.143 2.785 50 50 CFGA Cc1ccsc1/C=N/NC(=O)[C@@H]1[C@H]2CCCC[C@H]21 252320593 CIDCBBWDNYLPKG-LYKINYDDSA-N 262.378 2.943 50 50 CFGA CC1(C)OB(c2ccc(OCCCl)cc2)OC1(C)C 169935455 CRKJOEYJQACAKT-UHFFFAOYSA-N 282.576 2.603 50 50 CFGA in-vitro CC/C(=N/NC(=O)c1ccccc1)c1ccc(O)cc1 12384035 SUZPFFFUEIWLIN-ICFOKQHNSA-N 268.316 2.936 50 50 CFGA Cc1ccccc1NCC(=O)N/N=C/c1ccccc1 438474 RZVQWKDADZGHEC-WOJGMQOQSA-N 267.332 2.557 50 50 CFGA O=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)F 2526250 GMTHNTFUIUGECX-UHFFFAOYSA-N 264.499 2.923 50 50 CFGA Cc1ccc(NCC(=O)N/N=C\c2cc(C)ccc2O)cc1 55425637 RZQPUDXLGAPEAF-GRSHGNNSSA-N 297.358 2.571 50 50 CFGA Cc1ccc(F)cc1NC(=O)[C@H](C)Br 235446825 VYTOWXKPSRXWHR-ZETCQYMHSA-N 260.106 2.856 50 50 CFGA O=C(N/N=C/c1c(F)cccc1Cl)c1ccccc1O 37265 MFSUXFNZSNOWIS-CAOOACKPSA-N 292.697 2.949 50 50 CFGA O=C(N/N=C/c1c(F)cccc1Cl)c1ccco1 227735 ZQQHXAHJRNVQSV-VIZOYTHASA-N 266.659 2.836 50 50 CFGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccco2)cc1 227807 NUFJVJRIKWMAHU-SFQUDFHCSA-N 285.347 2.890 50 50 CFGA CCC1(CN(Cc2c(C)cnn2C)C(=O)CCl)CCC1 1875374168 DDESUPYJWAYIFF-UHFFFAOYSA-N 297.830 2.876 50 50 CFGA Br[C@H]1[C@H]2CC[C@@H](C2)[C@H]1Br 100132247 IZDDPSZQOJBKGK-ZTYPAOSTSA-N 253.965 2.943 50 50 CFGA COc1ccccc1/C=N/NC(=O)c1cccc(F)c1 298739 XCESMAYUESMRCA-LICLKQGHSA-N 272.279 2.598 50 50 CFGA COc1ccc(/C=N/NC(=O)[C@H](OC)c2ccccc2)cc1 286342 GTSGJGZQWARHFZ-YAJBTMAUSA-N 298.342 2.533 50 50 CFGA COc1ccccc1C1C(C#N)=C(C)NC(C)=C1C#N 19419640 RXBZZUBZRCBRFD-UHFFFAOYSA-N 265.316 2.977 50 50 CFGA Cc1[nH]nc2c1[C@H]([C@H](C)c1ccccc1)C(C#N)=C(N)O2 5013417 LLWDWAXQJRDOLH-NOZJJQNGSA-N 280.331 2.692 50 50 CFGA O=C(N[C@@H]1[C@@H]2Cc3c(Cl)cccc3[C@@H]21)[C@@H](F)Cl 2325897687 DQFLSCXFFWQKRC-APHKKCJPSA-N 274.122 2.629 50 50 CFGA O=C(Nc1cc(CC2CCCC2)no1)[C@H](F)Cl 2325901689 UFMNACMAAOMTTE-JTQLQIEISA-N 260.696 2.880 50 50 CFGA O=C(O)[C@@H](Cl)Cc1cccc(C(F)(F)F)c1 2164039 LZOCCQPLIYSRCK-QMMMGPOBSA-N 252.619 2.940 50 50 CFGA NNC(=O)c1cc(-c2cccs2)nc2ccccc12 2383795 RRFXBVGSSZEUCZ-UHFFFAOYSA-N 269.329 2.567 50 50 CFGA NC(=O)N/N=C1\C[C@H]2CCCC[C@H]2c2ccccc21 43419372 JOBXDIOTFVACCN-OYPIUGFMSA-N 257.337 2.737 50 50 CFGA C[C@H](Cl)C(=O)N1CCO[C@H](c2ccc(Cl)s2)C1 1875364173 HBAAGMUEZMJRBK-YUMQZZPRSA-N 294.203 2.929 50 50 CFGA COc1ccc(/C=N/NC(=O)/C=C/c2ccccc2)cc1 3091583 VTEHNTHZHXVAHV-HEMGCLFMSA-N 280.327 2.859 50 50 CFGA COc1ccc2c(c1)C[C@H](C)C[C@H]2NC(=O)CCl 1875367271 LCSZMELOMLSDPX-TVQRCGJNSA-N 267.756 2.674 50 50 CFGA CSC1=C(C#N)[C@@H](C)C2=C(CC(C)(C)CC2=O)N1 753128 NGTKTQYHJRSYKO-MRVPVSSYSA-N 262.378 2.967 50 50 CFGA Cc1cc(F)c(C(=O)NCC(Cl)Cl)cc1F 240540851 GPSOEDZQLVRECD-UHFFFAOYSA-N 268.090 2.807 50 50 CFGA Cc1cccc(NCC(=O)NN=C2CCCCC2)c1 5571231 ZXGPMMCRGKZRJL-UHFFFAOYSA-N 259.353 2.843 50 50 CFGA C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1 169743112 HMMGMWAXVFQUOA-UHFFFAOYSA-N 296.620 2.874 50 50 CFGA in-vitro O=C(CCl)Nc1cc(Cl)cc(Cl)c1O 2143548 WYWYRTNJPLOBPE-UHFFFAOYSA-N 254.500 2.876 50 50 CFGA Cc1cccc(NC(=S)NNC(=O)Cc2ccccc2)c1 8682685 ABIMWATYNIJAJC-UHFFFAOYSA-N 299.399 2.555 50 50 CFGA CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)CCl 34031757 JAKDNFBATYIEIE-LBPRGKRZSA-N 297.782 2.930 50 50 CFGA in-vitro Cc1ccc(C)c(C2C(C#N)=C(N)SC(N)=C2C#N)c1 20027262 BELHEWYFZRCSOQ-UHFFFAOYSA-N 282.372 2.522 50 50 CFGA CC(C)(C)N(CCO[Si](C)(C)C(C)(C)C)CC(N)=O 252478355 AJZALFKZRNYREM-UHFFFAOYSA-N 288.508 2.594 50 50 CFGA BrC[C@@H]1CN/C(=N\c2ccccc2)S1 5774553 LTSYSLLVQJSRTF-SECBINFHSA-N 271.183 2.774 50 50 CFGA C[C@H](Cl)C(=O)N1CCC[C@@H]1C[C@@H](O)c1cccs1 1875364251 LQEQYKHBTDEXGP-HBNTYKKESA-N 287.812 2.790 50 50 CFGA Cc1cc(C(=O)N/N=C/c2ccsc2)cs1 2743876 XCZMLWPNNGEYMY-LFYBBSHMSA-N 250.348 2.882 50 50 CFGA O=C1OC(=O)[C@H]2[C@H]1[C@H]1C3=C([C@H]4CC[C@H]3C4)[C@H]2C12CCCC2 257356267 HDVNQYSVUHDHQO-WRGAAFTDSA-N 284.355 2.849 50 50 CFGA CC(C)c1ccc(/C=N/NC(=O)c2cccnc2)cc1 248838 GSUDPPFEUOXWMY-VCHYOVAHSA-N 267.332 2.969 50 50 CFGA O=C1OC(=O)[C@H]2[C@@H]1[C@@H]1CCCC[C@H]1[C@H]1CCCC[C@H]12 216330892 TXZFDXCATILDFU-LEZGYBIHSA-N 262.349 2.929 50 50 CFGA C/C(=N/NC(=O)Cc1ccc(Cl)cc1)c1cccnc1 440019 YYQZSSBVXNGEDX-WQRHYEAKSA-N 287.750 2.818 50 50 CFGA NC(=O)N/N=C1\C[C@@H]2CCCC[C@@H]2c2ccccc21 17161771 JOBXDIOTFVACCN-CYVDBUDESA-N 257.337 2.737 50 50 CFGA C=CC[C@@H]1CC[C@@]2(CCCO2)C(=O)[C@@H]1Br 34148982 GRKMLTJAWCYZCM-FOGDFJRCSA-N 273.170 2.854 50 50 CFGA O=C(CCl)Oc1ccc(C(=O)CCl)cc1Cl 725236981 KPVSXNYPXHYNBD-UHFFFAOYSA-N 281.522 2.906 50 50 CFGA C[C@H](Cl)C(=O)N1[C@H]2CC[C@H]1CC1(C2)CC1(F)F 1875366931 YXBCYGUDEKJGQE-CIUDSAMLSA-N 263.715 2.793 50 50 CFGA C[C@H](Cl)C(=O)N[C@H](C)c1ccc(C#N)cc1F 1875378224 XUDNZXDFJQLGLU-JGVFFNPUSA-N 254.692 2.502 50 50 CFGA CC(C)(C)c1cc([C@@H](O)CC(=O)NN)cc(C(C)(C)C)c1 397479 IGKQEMWMVRSBHM-AWEZNQCLSA-N 292.423 2.695 50 50 CFGA CC(C)(C)OC(=O)N1CC=C(F)[C@H](Br)C1 306729135 COECNWCFQGVLAT-SSDOTTSWSA-N 280.137 2.854 50 50 CFGA CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC(=O)CCl 1875375445 CADYOJHHPFMGJD-BFHYXJOUSA-N 281.783 2.693 50 50 CFGA O=C(CCl)NCc1ncc(-c2ccccc2)s1 1875375281 XDTGETFFJRQUDM-UHFFFAOYSA-N 266.753 2.665 50 50 CFGA O=C(CCCl)Nc1ccc(Cl)c(C(=O)O)c1 37014669 XBNIDUOTQJEFQY-UHFFFAOYSA-N 262.092 2.606 50 50 CFGA COc1cc(C)c(Cl)cc1NC(=O)CBr 584904504 AAMXEVWLNNQIIQ-UHFFFAOYSA-N 292.560 2.990 50 50 CFGA O=C1OC(=O)[C@H](c2ccccc2)[C@H]1c1ccccc1 100074542 UWDJRACNZVFLEC-ZIAGYGMSSA-N 252.269 2.637 50 50 CFGA in-vitro CCO[Si](CC[C@@H]1CC[C@H]2O[C@H]2C1)(OCC)OCC 199826497 UDUKMRHNZZLJRB-MJBXVCDLSA-N 288.460 2.992 50 50 CFGA in-vitro CCCCCC(=O)N/N=C/c1ccc(OC)cc1OC 2755886 UBDYGMBIAWFLJU-LFIBNONCSA-N 278.352 2.734 50 50 CFGA C[C@H](Cl)C(=O)N1CC[C@@H](Oc2cc(F)cc(F)c2)C1 1875367273 LDJDYXDAYSEATM-GZMMTYOYSA-N 289.709 2.572 50 50 CFGA Cc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c(C)s1 8578012 KBTLBGSIJNVSAF-GFCCVEGCSA-N 286.360 2.615 50 50 CFGA O=C1ON=C(CCl)/C1=C\c1ccc(Cl)cc1 34926703 ZNOXAKLCODEEQV-WEVVVXLNSA-N 256.088 2.875 50 50 CFGA O=C1ON=C(CCl)/C1=C\c1cccc(Cl)c1 34926702 UBAKEJDMUKYLOT-WEVVVXLNSA-N 256.088 2.875 50 50 CFGA CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 14263142 SXYIRMFQILZOAM-HVNFFKDJSA-N 298.379 2.841 50 50 CFGA biogenic,fda Cc1ccc(S(=O)(=O)[C@H]2CCC[C@@H]2Cl)cc1 1700456 ODICXHKSKRSPEO-RYUDHWBXSA-N 258.770 2.929 50 50 CFGA O=C(O)[C@H](Br)Cc1cccc(Cl)c1 4529101 GXLAUOCANIECQQ-MRVPVSSYSA-N 263.518 2.731 50 50 CFGA CCOC(=O)/C(C#N)=C/c1ccc(Br)cc1 100703 MJGTUYOCBQBORS-JXMROGBWSA-N 280.121 2.919 50 50 CFGA N#C/C(=C\c1ccccc1Cl)C(=O)NCc1cccnc1 227224 PCNSCYNEKDWLTM-RIYZIHGNSA-N 297.745 2.958 50 50 CFGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccc(O)cc1 288544 ZUFXEOWIDYNVJD-VCHYOVAHSA-N 293.326 2.946 50 50 CFGA COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2O)cc1 5023494 BJZQAIKDMDWUNO-RAXLEYEMSA-N 294.310 2.946 50 50 CFGA CC(Cl)(Cl)C(=O)N[C@H]1CCCC[C@H]1Cl 5613607 RWXNHNFHOFTRCJ-RQJHMYQMSA-N 258.576 2.846 50 50 CFGA C[C@H](Cl)C(=O)N1CC[C@]2(CCc3ccccc3O2)C1 1875375381 AVMPAEPEGVLHKA-XHDPSFHLSA-N 279.767 2.610 50 50 CFGA Cc1cc(F)ccc1NC(=O)[C@H](C)Br 235448355 BNSXEHQSGMTSJZ-ZETCQYMHSA-N 260.106 2.856 50 50 CFGA CC(=O)c1ccccc1N/C=C/C(=C(C#N)C#N)N(C)C 1382100 VDNYPOFYLODGKA-CMDGGOBGSA-N 280.331 2.678 50 50 CFGA O=C(CCl)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 1327084374 BFJJEFKNRGOSQU-QWHCGFSZSA-N 283.755 2.546 50 50 CFGA C[C@H](NC(=O)CCl)c1ccc(N2CCCCC2=O)cc1 1875377654 KDKAOQCHSKAUFZ-NSHDSACASA-N 294.782 2.620 50 50 CFGA CC1CCC(N(C[C@H]2CCCO2)C(=O)CCl)CC1 1875363744 WTBHVMIVXGWYNX-WXRRBKDZSA-N 273.804 2.812 50 50 CFGA FC(F)(F)C1(C(F)(F)F)[C@H]2C[C@H]3[C@@H]([C@H]2Cl)[N@]31 1857524884 KTZIHWKLLROSMN-AIPFVVIYSA-N 265.584 2.544 50 50 CFGA COc1ccc(C2C(C#N)=C(C)NC(C)=C2C#N)cc1O 406044 DFGVMVLAQOTWDL-UHFFFAOYSA-N 281.315 2.683 50 50 CFGA CN(CCBr)C(=O)OCc1ccccc1 115451679 KTIJMQZGJYVILI-UHFFFAOYSA-N 272.142 2.650 50 50 CFGA ICCOCc1ccccc1 38600569 NYACRWGQRUIHSO-UHFFFAOYSA-N 262.090 2.638 50 50 CFGA Br[C@@H]1Cc2ccccc2[C@@H]1[n+]1ccccc1 5583174 JZDAMAUODQVDFE-KGLIPLIRSA-N 275.169 2.883 50 50 CFGA N#C/C(N)=C(C#N)/N=C/c1cccc(Cl)c1Cl 2028965 QDUDNTBLXDDZFO-ALPKGXSHSA-N 265.103 2.630 50 50 CFGA O=C1OC(=O)[C@@H]2[C@@H]3CCCCC3=C3CCCC[C@H]3[C@H]12 104186086 SLLYQMXCKAECGW-SYQHCUMBSA-N 260.333 2.993 50 50 CFGA CCCCC1CCC(c2ccc(B(O)O)cc2)CC1 169904957 XAPVHVFVQKPDAJ-UHFFFAOYSA-N 260.186 2.830 50 50 CFGA CC1(C)Cc2ccccc2C(NNC(=O)c2ccccc2)=N1 109164 RJFBSXPIRBEEAX-UHFFFAOYSA-N 293.370 2.703 50 50 CFGA C[C@H]1CCc2nc([C@@H](C)NC(=O)CCl)sc2C1 1875367621 WIGZDVVUCKJXGH-JGVFFNPUSA-N 272.801 2.684 50 50 CFGA C[C@H](Cl)C(=O)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 1875377998 SZLVMPGGXAPTMR-SDDRHHMPSA-N 299.823 2.641 50 50 CFGA Cc1ccc(NC(=O)/C(C#N)=C\c2cn(C)cn2)c(C)c1 585079745 AQALMDIGVWAPDI-QPEQYQDCSA-N 280.331 2.583 50 50 CFGA C[C@H](Cl)C(=O)NCCC1CC(OC(C)(C)C)C1 1875376191 OOQYEOPEGITLGO-WHXUTIOJSA-N 261.793 2.714 50 50 CFGA Cc1nc(NC(=O)CCl)cc(-c2ccc(F)cc2)n1 1875377845 PEAZHIMMCIFMGC-UHFFFAOYSA-N 279.702 2.768 50 50 CFGA O=C(N/N=C/c1ccco1)c1cc(-c2ccc(F)cc2)n[nH]1 9108830 JSGDKPSVBNVJIA-RQZCQDPDSA-N 298.277 2.573 50 50 CFGA Cc1cccc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c1 58597 KJEVXOWFTGNBEZ-MHWRWJLKSA-N 283.287 2.667 50 50 CFGA CCC/C=C/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 2831494 MOMJYOVIQDZCIE-ONKXOGLGSA-N 261.281 2.667 50 50 CFGA C[C@@H](NC(=O)CCl)C12CC3CC(CC(C3)C1)C2 3886080 WKYMLOXQWMPBKY-GVDDXCRBSA-N 255.789 2.946 50 50 CFGA C/C(=N\NC(=O)CCc1c(C)n[nH]c1C)c1cccs1 25559997 FRGYJPWHGOPNHQ-GZTJUZNOSA-N 290.392 2.561 50 50 CFGA COc1ccc(F)c(-c2nc(O)cc(CCl)n2)c1 526055875 XJDMWLXUWAGYDB-UHFFFAOYSA-N 268.675 2.736 50 50 CFGA CCOC(=O)[C@H](Br)c1ccc(F)cc1 3125938 IOZFTNUPLPETKT-SECBINFHSA-N 261.090 2.825 50 50 CFGA CC(=O)Oc1c(C=C(C#N)C#N)[nH]c2ccccc12 179115 SPVLGQNEAXYOPZ-UHFFFAOYSA-N 251.245 2.524 50 50 CFGA Cc1ccc(CNC(=O)[C@@H](C)Br)cc1C 41695545 XZCPSUVOGKXWHJ-SNVBAGLBSA-N 270.170 2.703 50 50 CFGA Nc1nccc(C(F)(F)F)c1CBr 238697872 STTKFJABJJMSJG-UHFFFAOYSA-N 255.037 2.578 50 50 CFGA C[C@@H](NC(=O)CCl)c1ccc(N2CCCCC2=O)cc1 1875377653 KDKAOQCHSKAUFZ-LLVKDONJSA-N 294.782 2.620 50 50 CFGA Cc1ccc2c(c1Br)C(=C(C#N)C#N)C(=O)N2 275438 VDDHPXOWDJHCPZ-UHFFFAOYSA-N 288.104 2.510 50 50 CFGA COc1ccccc1NC(=O)[C@H](Cl)C(=O)C(C)(C)C 101363341 YIVNBMGSPPKYIS-LLVKDONJSA-N 283.755 2.856 50 50 CFGA C[C@@H](/C=N/NC(=O)c1cccnc1)c1ccccc1 438669 KUOPGUYWAUMCRG-VAKHEIKFSA-N 253.305 2.601 50 50 CFGA CC[C@@H](Br)C(=O)Nc1ccc([N+](=O)[O-])cc1 5674085 ZEDNZSRZTUPWGL-SECBINFHSA-N 287.113 2.707 50 50 CFGA CCCN(C[C@H]1COc2ccccc2O1)C(=O)[C@H](C)Cl 1875363716 UTCVDGDVAYBLMK-RYUDHWBXSA-N 297.782 2.692 50 50 CFGA O=C(NC[C@@H]1[C@@H](c2ccccc2)C1(F)F)[C@H](F)Cl 2325898127 UCOZKFFJXAIJCI-BBBLOLIVSA-N 277.673 2.686 50 50 CFGA CC(=O)c1ccc2c(CBr)cc(=O)oc2c1 40522 WUVXNKDXYGLWJR-UHFFFAOYSA-N 281.105 2.891 50 50 CFGA CCOC(=O)/C(C#N)=C/c1ccc(Cl)c([N+](=O)[O-])c1 4829483 QXBZFTKTOBOHSP-WEVVVXLNSA-N 280.667 2.718 50 50 CFGA COc1ccccc1[C@@H]1CSCCCN1C(=O)CCl 1335818908 UGHGEMVDUFQDKY-LBPRGKRZSA-N 299.823 2.941 50 50 CFGA C/C(=N\NC(=O)c1cc(C)oc1C)c1ccc(O)cc1 5119608 YTIQSIFCQPIJSQ-MHWRWJLKSA-N 272.304 2.756 50 50 CFGA CC(C)NC(=O)Nc1ccccc1NC(=O)[C@H](F)Cl 1875362279 YRMKGZALPVJKJD-JTQLQIEISA-N 287.722 2.689 50 50 CFGA CC(C)COC(=O)/C(C#N)=C1/C=CC=C2C=CC=CN21 252497442 QHTSPOWLJJRISG-PFONDFGASA-N 268.316 2.802 50 50 CFGA C/C(=C\c1ccccc1)[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21 81776 VMQOANZLTFABDZ-QSYFUGGGSA-N 292.342 2.992 50 50 CFGA C=CCSC1=C(C#N)[C@H](c2cccc(O)c2)CC(=O)N1 8973130 NNIRSPIDMKXJTM-LBPRGKRZSA-N 286.356 2.650 50 50 CFGA O=C(Cc1ccccc1)N[C@@H]1CCCC[C@@H]1Cl 5602811 QSSLYFDFFVFMHS-QWHCGFSZSA-N 251.757 2.895 50 50 CFGA O=C(N/N=C/C=C/c1ccco1)c1cccc(F)c1 2859745 PYSQALCDBYJCDN-DFNGEEKMSA-N 258.252 2.848 50 50 CFGA C/C(=N\NC(=O)c1ccccc1Cl)c1ccncc1 4738142 AWGPYIAPOTYYMZ-LICLKQGHSA-N 273.723 2.889 50 50 CFGA CC(C)C(Cl)=NOC(=O)NNc1ccccc1 252430625 BBDIJQDNZWDQJC-UHFFFAOYSA-N 255.705 2.948 50 50 CFGA CC1(C)OC(=CC=NNC(=O)c2ccccc2)OC1(C)C 254616536 BFEZOALAOXVTIC-UHFFFAOYSA-N 288.347 2.848 50 50 CFGA O=C(N/N=C/c1ccc(F)cc1)c1ccc(F)cc1 64376 DUSPIRYSQZVKSA-RQZCQDPDSA-N 260.243 2.729 50 50 CFGA C/C(=N\NC(=O)c1cccs1)c1ccc(O)cc1 12572629 NKTJLKGKXLLMKG-NTEUORMPSA-N 260.318 2.608 50 50 CFGA COC(=O)C1=C(C)NC(C)=C(C#N)[C@H]1c1ccc(OC)cc1 407351 IJRKHRAMFUGYCE-MRXNPFEDSA-N 298.342 2.627 50 50 CFGA C[C@@]1(c2ccccc2)C(C#N)=C(N)OC2=C1C(=O)CCC2 239934 WRNVQPQEMSTMGN-QGZVFWFLSA-N 280.327 2.675 50 50 CFGA Cc1cccc(OCC(=O)N/N=C/c2ccc(O)cc2)c1C 4956905 LHZMGIQVFIVODZ-VCHYOVAHSA-N 298.342 2.538 50 50 CFGA O=c1cc(CCl)nc(C2(c3ccccc3)CC2)[nH]1 109597479 MYRBDXRDFVKPRM-UHFFFAOYSA-N 260.724 2.589 50 50 CFGA Cc1cccc(C(=O)N/N=C/c2ccc(F)cc2)c1 263103 AQKRPIWNHSPNJE-LICLKQGHSA-N 256.280 2.898 50 50 CFGA C[C@@H](O)CCC(=O)N/N=C/c1ccc(Cl)cc1Cl 3105746 ZDFZKUZEASECLG-BQNBSLLUSA-N 289.162 2.605 50 50 CFGA CC1(C)OCc2cc(C(=O)CBr)ccc2O1 38304018 SJYXUPGLQCUYJS-UHFFFAOYSA-N 285.137 2.909 50 50 CFGA O=C(N/N=C\c1cccc(Cl)c1)[C@@H]1CC12CCC2 32650076 BDQHXFXNYXMSEV-PFSWGADMSA-N 262.740 2.980 50 50 CFGA O=[S@]1Nc2ccc(Br)cc2S1 6513336 QCAVOIFYYYBGOQ-NSHDSACASA-N 250.142 2.545 50 50 CFGA Cc1ccc(NC(=O)[C@H](C)Br)c(F)c1 235447793 XUQQZRKRFZTIRR-ZETCQYMHSA-N 260.106 2.856 50 50 CFGA CC(C)(C)OC(=O)n1ccc(CBr)n1 95635226 PZYLFTPEOMFQFJ-UHFFFAOYSA-N 261.119 2.561 50 50 CFGA C/C(=N\NC(=O)c1cc(C)n[nH]1)c1ccc(Cl)cc1 229518 FZRLIXPDGAKPIH-CXUHLZMHSA-N 276.727 2.526 50 50 CFGA C/C(=N\NC(=O)Cc1cc2ccccc2[nH]1)c1ccncc1 4989681 KTNWJGIEGMVESB-UDWIEESQSA-N 292.342 2.646 50 50 CFGA Cc1cccc(C(=O)N/N=C2/CC(=O)CC(C)(C)C2)c1 100003941 USZWWBORSMBASD-LGMDPLHJSA-N 272.348 2.860 50 50 CFGA CC[C@H](Br)C(=O)NC1CCC(C)CC1 45796274 IIMYBCSNIUJDLE-RTBKNWGFSA-N 262.191 2.855 50 50 CFGA C=CCc1cccc(/C=N/NC(=O)c2ccccc2)c1O 262756 UVYMUBXWWROUCB-LDADJPATSA-N 280.327 2.885 50 50 CFGA O=C(N/N=C1/Nc2ccccc2C1=O)c1ccc(Cl)cc1 5731646 DCPHCFSQZXJNNY-UHFFFAOYSA-N 299.717 2.692 50 50 CFGA CSC1=C(C#N)[C@@H](c2ccccc2F)CC(=O)N1 8969615 LENMAWVBHUCBAM-SECBINFHSA-N 262.309 2.527 50 50 CFGA C[C@H](Cl)C(=O)N[C@H]1CCC[C@H]1Cc1ccccn1 1875380133 GDSNBLAGPIUTCI-GVXVVHGQSA-N 266.772 2.536 50 50 CFGA O=C(N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)c1cccnc1 1875390439 FJUUDDZJEBOWNS-BHTPSDJTSA-N 269.348 2.624 50 50 CFGA CCN(CC)c1ccc(C=C(C#N)C#N)c(OC(C)=O)c1 236161 JJBFDYQYAKTQJC-UHFFFAOYSA-N 283.331 2.889 50 50 CFGA O=C(Cc1ccccc1)N1CCCC[C@@H]1CCl 5773200 VZACRKPSAVYYKL-CYBMUJFWSA-N 251.757 2.849 50 50 CFGA Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)CCl 1875366492 ONEGIWPRQMWMPS-SECBINFHSA-N 272.801 2.569 50 50 CFGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccc(N)cc1 246815 BAEFQJZFLUBSRK-VXLYETTFSA-N 292.342 2.822 50 50 CFGA CC(C)(C)OC(=O)NNCc1ccccc1Cl 34732366 BKYBXDNACVNSRE-UHFFFAOYSA-N 256.733 2.869 50 50 CFGA in-vitro COc1ccccc1/C=C\C=N\NC(=O)c1ccco1 13571910 XGWZJYHANXKEAW-VKZSLHGGSA-N 270.288 2.717 50 50 CFGA O=C(N/N=C/c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 4160059 OGGKFAULSBCNTR-SUBKYJBBSA-N 264.328 2.940 50 50 CFGA Cc1ccc(C[C@@H](SC#N)C(=O)OCCCl)cc1 2362333 QLOTXSFGMDTVAA-GFCCVEGCSA-N 283.780 2.902 50 50 CFGA O=C(CCl)N[C@H](CC1CC1)c1ccc(Cl)cn1 1875378565 GMXCFZVUMCAFBB-LLVKDONJSA-N 273.163 2.931 50 50 CFGA Cc1ccccc1C(=O)N[C@@H]1C[N+]2(CCl)CCC1CC2 1776004886 PTFBHAFTRIYMTO-SHBDPFAUSA-O 293.818 2.530 50 50 CFGA O=S(=O)(CCl)NC(c1ccccc1)c1ccccc1 111000216 FOTCVUIYUWSZFJ-UHFFFAOYSA-N 295.791 2.892 50 50 CFGA N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccccc1F 70946 VFLUQOJSEVHLBI-OAHLLOKOSA-N 282.274 2.749 50 50 CFGA biogenic,in-vitro CC(C)(C)C(=O)/C(C#N)=C\N1CCN(c2ccccc2)CC1 5177947 VJGONQMEEXXWOS-PFONDFGASA-N 297.402 2.831 50 50 CFGA Cc1nn(-c2ccccn2)c2c1C(Cl)=C(C#N)CC2 1422552 SNGUXUHQQMBAEF-UHFFFAOYSA-N 270.723 2.995 50 50 CFGA CCC[C@H](C)[C@H]1C(C#N)=C(N)Oc2cc(N)ccc21 240022 TZNWAYGSFFXCRN-LKFCYVNXSA-N 257.337 2.875 50 50 CFGA Fc1ccc(OCCOCCBr)cc1 2896272 YCWLPYJBFBIMER-UHFFFAOYSA-N 263.106 2.616 50 50 CFGA CC[C@H](Br)C(=O)NCCc1ccccc1 32919694 QTNRUXYLOPXKOU-NSHDSACASA-N 270.170 2.519 50 50 CFGA Cc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1 4312528 ZOEKQGJHXAAQLM-LICLKQGHSA-N 284.363 2.780 50 50 CFGA Cc1ccc(NCCCC(=O)N/N=C/c2cccnc2)cc1 2996169 JUCLUCAZHNFRGC-DEDYPNTBSA-N 296.374 2.732 50 50 CFGA COc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1 140269 ZDRXMZPRHPJJLT-LFIBNONCSA-N 292.338 2.919 50 50 CFGA Cc1ccccc1-n1nccc1NC(=O)[C@@H](C)Cl 1875363882 CNRSUBGRNOLEFW-SNVBAGLBSA-N 263.728 2.747 50 50 CFGA CCOc1ccccc1[C@H]1CC(=O)NC(SC)=C1C#N 189617 FXECFNDOANDJII-LLVKDONJSA-N 288.372 2.787 50 50 CFGA CC[C@H](NC(=O)CCl)[C@H](O)c1ccc(Cl)cc1 1875379814 XQHFBEOIZXHTQZ-CMPLNLGQSA-N 276.163 2.507 50 50 CFGA C[C@@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)NN 2568679 CBIXTMKFLPNLBN-CYBMUJFWSA-N 298.386 2.770 50 50 CFGA C[C@]1(C(=O)NC2CCCCC2)C[C@@H]1Br 2893103 OSVYCPYDMQUWLQ-ONGXEEELSA-N 260.175 2.609 50 50 CFGA COc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1 498201 OOKLGKSLBUQUPM-GZTJUZNOSA-N 268.316 2.768 50 50 CFGA Cc1ccc(NCC(=O)N/N=C\C=C\c2ccco2)cc1 16667653 QFCUXOWHNHMWCN-SFHDDKPDSA-N 283.331 2.815 50 50 CFGA COc1cc(/C(C)=N/NC(=O)c2cccs2)ccc1O 19849964 HHADKUXEIWHBED-OQLLNIDSSA-N 290.344 2.616 50 50 CFGA CC(C)(C)[Si](C)(C)O[C@H]1CCC[C@]12OC(=O)C[C@@H]2O 169836741 PMQNJEKEPWINQU-COPLHBTASA-N 286.444 2.607 50 50 CFGA O=C(CCl)NC1([C@@H]2CCCc3ccccc32)CC1 1875367833 QOJSXCHEUDDNFY-CYBMUJFWSA-N 263.768 2.994 50 50 CFGA FC(F)(Cl)[C@@H](Cl)I 95698209 DKUCKYGZQSGSOX-SFOWXEAESA-N 260.836 2.818 50 50 CFGA C[C@H](Cl)C(=O)N(CCN1CCCCCC1)C1CCC1 1875380628 UMYATNKDSGOUJG-ZDUSSCGKSA-N 286.847 2.871 50 50 CFGA C[C@H](Cl)C(=O)N1CCC[C@@]2(C1)OCc1ccccc12 1875369122 ZNOFOIRFZZMHQE-NHYWBVRUSA-N 279.767 2.662 50 50 CFGA CC(C)(CCl)NS(=O)(=O)c1ccc(Cl)cc1 284055 QDNIDKNJQIEJEU-UHFFFAOYSA-N 282.192 2.636 50 50 CFGA Cc1cccc(/C=N/NC(=O)CN2CCCCCCC2)c1 4990397 MAUZBSMUOCINST-QGOAFFKASA-N 287.407 2.711 50 50 CFGA CC(C)OC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)[nH]1 585083003 TXRAWJLMRGDSPF-VMPITWQZSA-N 272.226 2.892 50 50 CFGA C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)[C@@H](C)Cl 1875377325 CAKXUTZMWQFORY-VHSXEESVSA-N 296.773 2.992 50 50 CFGA N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccsc1 200605 NUYFOGNMWHRFDS-CYBMUJFWSA-N 270.313 2.672 50 50 CFGA CC1=C(C#N)[C@@](Nc2ccc(C)cn2)(C(F)(F)F)C(O)=N1 20069804 GEXGYPIFNBWPRC-LBPRGKRZSA-N 296.252 2.871 50 50 CFGA O=C(CCl)c1c[nH]c(C=C2C(=O)c3ccccc3C2=O)c1 1390749 RSYFKTSWFQSYBD-UHFFFAOYSA-N 299.713 2.899 50 50 CFGA Cc1ccc(OCC(=O)N/N=C/c2ccccc2)cc1 42712 KHDATCNPSPZWJF-GZTJUZNOSA-N 268.316 2.524 50 50 CFGA Cc1cc2nc(C(Cl)Cl)nc(-c3cccnc3)n2n1 1857798414 FRKCFOMGWJWPLC-UHFFFAOYSA-N 294.145 2.971 50 50 CFGA Cc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1 38800 WCZDODNEUXVJGQ-INIZCTEOSA-N 277.327 2.795 50 50 CFGA CCC[C@H](C)[C@@H]1C(C#N)=C(N)Oc2cc(N)ccc21 240017 TZNWAYGSFFXCRN-XPTSAGLGSA-N 257.337 2.875 50 50 CFGA C[C@@H](Br)C(=O)c1ccccc1[N+](=O)[O-] 71772479 UNNQPMLKNZXZQT-ZCFIWIBFSA-N 258.071 2.561 50 50 CFGA C[C@](Cc1ccccc1)(NC(=O)CCl)C1CC1 1875374837 GWYUQOBHWFLBGL-CQSZACIVSA-N 251.757 2.753 50 50 CFGA N#CSCC(=O)c1ccc(Br)cc1 1686877 PIXLLQKMZXDTOU-UHFFFAOYSA-N 256.124 2.846 50 50 CFGA N#CC1=C(N)c2c(F)cccc2[C@@]1(C#N)c1ccc(F)cc1 4002469 XEXFLTGXOLEYHZ-QGZVFWFLSA-N 293.276 2.981 50 50 CFGA O=C(N/N=C/c1ccccc1O)c1c[nH]c2ccccc12 436961 NTYGCNKFMQWGJQ-GIJQJNRQSA-N 279.299 2.637 50 50 CFGA C[N+](C)(C)CCP(c1ccccc1)c1ccccc1 135875165 KZVDFULOZMEUAR-UHFFFAOYSA-N 272.352 2.826 50 50 CFGA CCOC(OCC)(OCC)[C@@H](C)Br 161514 GMWXMYZMODXKMM-MRVPVSSYSA-N 255.152 2.533 50 50 CFGA COc1ccc2c(c1)C[C@@H](C)C[C@@H]2NC(=O)CCl 1875367270 LCSZMELOMLSDPX-RNCFNFMXSA-N 267.756 2.674 50 50 CFGA C[C@@H](Br)c1ccccc1N1C(=O)CCC1=O 2155933 CDGWRUPSIDTGRL-MRVPVSSYSA-N 282.137 2.796 50 50 CFGA CC/C(=N\NC(=O)c1cc(C2CC2)n[nH]1)c1ccccc1 4994920 LHTXTBHARWTTLH-GHRIWEEISA-N 282.347 2.831 50 50 CFGA CN(C)c1ccc(/C=N/NC(=O)Cc2cccs2)cc1 72700 DRVFAWCLEUBYSI-LFIBNONCSA-N 287.388 2.507 50 50 CFGA COc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1 125077 DRUGFTJRCAGHJN-YBFXNURJSA-N 293.326 2.940 50 50 CFGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(F)cc1 240744 XUMLBLRJFCHHSR-PSLIRLAXSA-N 298.317 2.886 50 50 CFGA COc1ccc(C(=O)N/N=C\c2ccc(C)cc2)cc1 31723655 RWMZYWQVPPZVBI-BOPFTXTBSA-N 268.316 2.768 50 50 CFGA Cc1ccsc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 255793 HLQAWGBFMHSFHC-RIYZIHGNSA-N 289.316 2.729 50 50 CFGA Cc1ccc(Cl)c(OCc2cccc(C(=O)NN)c2)c1 2568650 LQYZQLKSRIQDRA-UHFFFAOYSA-N 290.750 2.831 50 50 CFGA Cn1cccc1CC(=O)N/N=C/c1c(F)cccc1Cl 230802 FLIWFSDNUXLHLY-RQZCQDPDSA-N 293.729 2.510 50 50 CFGA N#CC1=C(N)c2c(F)cccc2[C@]1(C#N)c1cccs1 4002559 DINXMGHXPHOEDD-HNNXBMFYSA-N 281.315 2.904 50 50 CFGA CC[C@@H](Br)C(=O)NC1CCC(C)CC1 45796275 IIMYBCSNIUJDLE-UDNWOFFPSA-N 262.191 2.855 50 50 CFGA O=C1[C@@H](Br)CCCC[C@H]1Br 101186834 PAMIRPDGXRSPTC-OLQVQODUSA-N 269.964 2.657 50 50 CFGA Cc1ccc(C(=O)N[C@H](N=C=S)C(Cl)Cl)cc1 283749 DNZKNWFNYNXMJG-JTQLQIEISA-N 289.187 2.957 50 50 CFGA C[C@H]1C=CC[C@@]23CCc4ccccc4[C@]12C(=O)OC3=O 101139509 MOHSPUUHSWDPSV-GOPGUHFVSA-N 268.312 2.536 50 50 CFGA N#C/C(=C\c1ccccc1Cl)C(=O)NC[C@H]1CCCO1 289096 VQXZWQBZTYWICO-YQCJOKCJSA-N 290.750 2.542 50 50 CFGA C[C@@H](Cl)C(=O)N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 1875375618 FZJAFBJNLBDCKH-ZWNOBZJWSA-N 294.782 2.566 50 50 CFGA CC(C)NC(=O)c1ccccc1NC(=O)C(Cl)Cl 2876216 CJWVMOKBMWUALG-UHFFFAOYSA-N 289.162 2.567 50 50 CFGA COC[C@H](C)OC(=O)/C(C#N)=C\c1ccc(Cl)cc1 4646994 NVNFTHXVGLFHLS-BZPKPHBRSA-N 279.723 2.825 50 50 CFGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccco2)[C@@H]2CCCC=C12 19787263 DMVSJYJUZKLOEX-IUODEOHRSA-N 290.326 2.873 50 50 CFGA CC(C)(C)OC(=O)NNC(=O)c1cccc(Cl)c1 2974226 OYHLWWVATCHCOU-UHFFFAOYSA-N 270.716 2.510 50 50 CFGA Cc1nc(-c2cccc(-n3cccc3)c2)sc1C(=O)NN 120894 IIZXMTZEJLKBPP-UHFFFAOYSA-N 298.371 2.513 50 50 CFGA O=C(CCl)N1CCc2cc(C(F)(F)F)ccc21 1875368139 UBAOKAGTCNCIHG-UHFFFAOYSA-N 263.646 2.833 50 50 CFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1[C@@]12C=C[C@@H](CC1)C2 407479 GWGGFXVBQUTMEE-FGDXXIHYSA-N 282.343 2.690 50 50 CFGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccncc1 2294836 IUSNQNMDEAGGOT-CQSZACIVSA-N 295.342 2.532 50 50 CFGA C[C@H](Cl)C(=O)Nc1ccc2c(c1)oc(=O)n2CC1CC1 1875367322 XGPOIUKPKLJCBV-QMMMGPOBSA-N 294.738 2.570 50 50 CFGA CC(C)[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21 4011397 VJYKIYYCRDQCAM-LBPRGKRZSA-N 282.299 2.619 50 50 CFGA C[C@@H]1COc2ccccc2N1C(=O)C(Cl)Cl 900624 PFJJMJDEVDLPNE-SSDOTTSWSA-N 260.120 2.604 50 50 CFGA biogenic,in-vitro CC[C@@H](Br)C(=O)N1C[C@@H](C)C[C@@H](C)C1 32919640 POXJTHPOIZHMHG-KXUCPTDWSA-N 262.191 2.664 50 50 CFGA CC(C)[C@@H](Br)C(=O)C#C[Si](C)(C)C 169998851 IHDMQOXPNXBFST-SNVBAGLBSA-N 261.235 2.856 50 50 CFGA in-vitro O=C(N/N=C/c1ccncc1)c1cc2ccccc2cc1O 299818 LVOVRLMOYZZYDY-YBFXNURJSA-N 291.310 2.704 50 50 CFGA O=C(Cc1cccs1)N/N=C/c1ccc(F)cc1 553870 QUHATMKSLDKYPX-OQLLNIDSSA-N 262.309 2.580 50 50 CFGA CC(C)=NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1 439481 RGMHPDSGWFKBMW-SECBINFHSA-N 254.717 2.619 50 50 CFGA O=C(N/N=C/c1ccc(F)cc1)C1[C@H]2CCCC[C@H]12 100382472 HLWMIIZDSPHJFV-OAMQDSFOSA-N 260.312 2.712 50 50 CFGA F[C@H]1C[C@H]2[C@@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245255032 DVWLACCWRDCQEN-KLVWXMOXSA-N 285.590 2.787 50 50 CFGA C[C@H](Cl)C(=O)N[C@@H]1c2cc(F)ccc2C[C@H]1C 1875364108 DSCABVMTJPKNTC-LWINAJNOSA-N 255.720 2.803 50 50 CFGA O=C(Cc1ccccc1)N/N=C/c1ccccc1F 291279 FBINQAXQJMMKOF-GZTJUZNOSA-N 256.280 2.519 50 50 CFGA CCCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H](C)Cl 1875363715 UTCVDGDVAYBLMK-NWDGAFQWSA-N 297.782 2.692 50 50 CFGA CC1=C(c2ccco2)CN(C(=O)[C@@H](C)Cl)CC1 1875375521 COXTUDUAIJSSLV-SNVBAGLBSA-N 253.729 2.913 50 50 CFGA COc1cccc(-c2cnc([C@@H](C)NC(=O)CCl)[nH]2)c1 1875363687 RYVKQVABYUFUQJ-SECBINFHSA-N 293.754 2.501 50 50 CFGA CCN(CC)c1ccc(/C=C(\C#N)C(N)=S)cc1 13522937 YOMMFFDVFZELPA-FMIVXFBMSA-N 259.378 2.726 50 50 CFGA O=C(Cl)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 15442392 QCYUKTBJHGSJBC-UHFFFAOYSA-N 253.563 2.993 50 50 CFGA in-vitro O=C(OCc1ccccc1)N1CC[C@H](Br)C1 71257189 LWEKWWHCQBWMQC-NSHDSACASA-N 284.153 2.792 50 50 CFGA C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C\c1ccc(C#N)cc1 253388582 RKZAWWHRWQDNBK-JTNXROEVSA-N 281.359 2.835 50 50 CFGA C#C[C@@H](NC(=O)CCl)c1ccc(Cl)cc1F 1875374686 CNPCQUUTIOOCID-SNVBAGLBSA-N 260.095 2.508 50 50 CFGA COc1cc(C=O)ccc1OCCCBr 4769740 YZBJCXWTOVSHDQ-UHFFFAOYSA-N 273.126 2.672 50 50 CFGA CCN(Cc1ccccc1)C(=O)[C@@H](C)Br 41689714 TVRYYOAYZKYXNU-SNVBAGLBSA-N 270.170 2.819 50 50 CFGA c1ccc(P(c2ccccc2)c2ccccn2)cc1 17596068 SVABQOITNJTVNJ-UHFFFAOYSA-N 263.280 2.840 50 50 CFGA in-vitro CCOC(=O)c1cc(CC)sc1NC(=O)CCl 95740 NTUBLCKCUAPLJH-UHFFFAOYSA-N 275.757 2.665 50 50 CFGA Cc1cc(OC(C)(C)C(=O)Cl)ccc1[N+](=O)[O-] 40451400 HKOCZYLMFJOKIS-UHFFFAOYSA-N 257.673 2.826 50 50 CFGA O=C(Cl)c1ccc(I)cc1 1632453 NJAKCIUOTIPYED-UHFFFAOYSA-N 266.465 2.670 50 50 CFGA in-vitro C/C(=C\CS(=O)(=O)c1ccccc1)CBr 43762223 UUIYJJPMQNXCGE-JXMROGBWSA-N 289.194 2.802 50 50 CFGA CC1(C)[C@H]2CC[C@]1(C)C1=C2[C@H]2C[C@H]1[C@@H]1C(=O)OC(=O)[C@@H]21 257357359 NQXRZLYEVRMUNK-PUJNRGJNSA-N 272.344 2.705 50 50 CFGA O=C(CCl)N([C@@H]1CCOC1)[C@@H]1CCCc2occc21 1875382562 GYXPGMOIFRSUEE-ZYHUDNBSSA-N 283.755 2.513 50 50 CFGA C/C(=N\NC(=O)c1n[nH]c2c1CCCC2)c1cccs1 5353856 IHSSAGNEDSGMLO-OQLLNIDSSA-N 288.376 2.504 50 50 CFGA Cc1nnc(-c2ccc(CBr)cc2)o1 26340327 WVPQOCBRPIJXDK-UHFFFAOYSA-N 253.099 2.940 50 50 CFGA COC1(OC)[C@@]2(Cl)CC[C@@]1(Cl)[C@@H](Cl)[C@@H]2Cl 216257772 VLEBYRRBGMTEDL-RULNZFCNSA-N 294.005 2.953 50 50 CFGA Cc1cccc(N(C)C(=O)[C@@H](C)Br)c1 32919862 NGABQZXZEHHUCC-SECBINFHSA-N 256.143 2.741 50 50 CFGA Oc1c(CBr)ccnc1C(F)(F)F 238716636 SOVALSAGYUZZSV-UHFFFAOYSA-N 256.021 2.701 50 50 CFGA Cc1cc(NC(=O)[C@@H](C)Br)ccc1F 235086896 VXZUQSQCIRZXGA-SSDOTTSWSA-N 260.106 2.856 50 50 CFGA Cc1cc(C(=O)N/N=C/c2ccc(F)cc2)c(C)o1 228276 GLEZXFSAJALXKX-LZYBPNLTSA-N 260.268 2.799 50 50 CFGA CN(C)c1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1 320451 NWOAAYNBCRAOMF-UVTDQMKNSA-N 295.342 2.569 50 50 CFGA COC(=O)C1=C(C)NC(C)=C(C#N)[C@@H]1c1ccccc1 407348 WKKBMBWWRBFCNR-HNNXBMFYSA-N 268.316 2.618 50 50 CFGA O=C(NNC(=O)[C@@H]1C[C@H]1c1ccccc1)Nc1ccccc1 283285 JUSNOMZKMFSVBU-LSDHHAIUSA-N 295.342 2.643 50 50 CFGA Cc1ccccc1NCC(=O)N/N=C\c1cccs1 4982254 AUQZIZOZZNPANL-SXGWCWSVSA-N 273.361 2.619 50 50 CFGA Cc1nn(C)c(NC(=O)CCl)c1-c1ccccc1 1775988427 JFQLHBWOKBBSOD-UHFFFAOYSA-N 263.728 2.573 50 50 CFGA C[C@@H](Cl)C(=O)NCc1cc(-c2ccccc2)on1 1875363745 XBSOAYJRAPRLBO-SECBINFHSA-N 264.712 2.585 50 50 CFGA CC(C)[C@H](C)N(Cc1ccns1)C(=O)CCl 1875381625 BJFSUTZGSIGHHB-VIFPVBQESA-N 260.790 2.755 50 50 CFGA O=C(N/N=C/c1ccccc1O)c1ccc(Cl)cc1 260349 OPSHLMMLTBIYMH-CXUHLZMHSA-N 274.707 2.810 50 50 CFGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccccc1O 282385 FPUVBMSRVBQGSX-VCHYOVAHSA-N 293.326 2.946 50 50 CFGA O=C(CCl)Nc1nc(-c2ccccc2)cs1 4468795 FFAWPJLADWBKCB-UHFFFAOYSA-N 252.726 2.987 50 50 CFGA CC[C@@H](Br)C(=O)Nc1ccccc1F 9096061 OCMOXAURTGESQQ-SSDOTTSWSA-N 260.106 2.938 50 50 CFGA O=C(Cl)c1cc(Br)cc([N+](=O)[O-])c1 89064417 ZFZCKJACMSJUOK-UHFFFAOYSA-N 264.462 2.736 50 50 CFGA C[C@H](Br)C(=O)NCc1ccc(F)c(Cl)c1 235437247 IMTMCWVXBHZHIK-LURJTMIESA-N 294.551 2.879 50 50 CFGA C[C@H]1CCc2nc([C@H](C)NC(=O)CCl)sc2C1 1875367623 WIGZDVVUCKJXGH-YUMQZZPRSA-N 272.801 2.684 50 50 CFGA CCC[C@@H]1[C@@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 34954474 HKTRSZDHOCGAGO-TZMCWYRMSA-N 266.348 2.913 50 50 CFGA O=C(CCl)NCC1(c2cccs2)CCCC1 1875363668 RCNDADIJWMUIMJ-UHFFFAOYSA-N 257.786 2.915 50 50 CFGA CCO[Si](CC[C@@H]1CC[C@H]2O[C@@H]2C1)(OCC)OCC 169748387 UDUKMRHNZZLJRB-BFHYXJOUSA-N 288.460 2.992 50 50 CFGA in-vitro O=C(c1ccccc1)N1CCC(CBr)CC1 19783776 DDWPTGQWWYXYBM-UHFFFAOYSA-N 282.181 2.934 50 50 CFGA C/C(CC(C)C)=N/NC(=O)c1cccc([N+](=O)[O-])c1 4990245 JGXFPYMUFQUERC-UVTDQMKNSA-N 263.297 2.747 50 50 CFGA Br[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1Br 105162138 IZDDPSZQOJBKGK-AXMZGBSTSA-N 253.965 2.943 50 50 CFGA Cc1ccc(/C=N/NC(=O)c2cc(C(C)C)n[nH]2)cc1 6622031 IOQKESDBMYNIDC-CXUHLZMHSA-N 270.336 2.605 50 50 CFGA NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 265621 OXZWSKCISAPCJD-UHFFFAOYSA-N 263.300 2.505 50 50 CFGA in-vitro COc1cccc(Cl)c1C(=O)CBr 238373490 NKQSKGZVGWDBAR-UHFFFAOYSA-N 263.518 2.926 50 50 CFGA Cc1ccc(C)c2c1CC[C@@]13CC=CC[C@]21C(=O)OC3=O 101050642 MIMMUOMRPXKYRE-QZTJIDSGSA-N 282.339 2.907 50 50 CFGA C[C@@H](CNC(=O)[C@@H](C)Cl)Oc1cccc(Cl)c1 1875364626 OYFSSWWSQWSMJD-DTWKUNHWSA-N 276.163 2.851 50 50 CFGA O=C(CCl)Nc1ccc(O)c(C(F)(F)F)c1 1775988428 JIUQMKBXYMVBEM-UHFFFAOYSA-N 253.607 2.588 50 50 CFGA CCOP(=O)(CC(=O)O[Si](C)(C)C)OCC 169806478 VHIDZGBMGSRVHR-UHFFFAOYSA-N 268.322 2.631 50 50 CFGA C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1cccs1 4996640 YGBBADIXIZJDND-NTEUORMPSA-N 289.316 2.810 50 50 CFGA CC1=C(C#N)[C@@H](c2cccnc2)C2=C(CCCC2=O)N1 100544465 MNKRZEXYILKUCR-OAHLLOKOSA-N 265.316 2.573 50 50 CFGA N#CC(NC(=O)Cc1ccccc1)=C(Cl)Cl 222858512 SDRDAWLXBPWIBW-UHFFFAOYSA-N 255.104 2.516 50 50 CFGA C[C@H](Cl)C(=O)NCCC1Cc2ccccc2C1 1875377570 HHRJHBZFFHWFGK-JTQLQIEISA-N 251.757 2.535 50 50 CFGA C[C@H](NC(=O)CCl)c1nc2c(s1)CCCCC2 1875367996 HVKSTYLRXHOZRX-QMMMGPOBSA-N 272.801 2.828 50 50 CFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1C1CCCCC1 88415 GALICDPMBCJAIE-CQSZACIVSA-N 272.348 2.914 50 50 CFGA Cc1ccccc1P(=O)(CC(=O)O)c1ccccc1C 446766 SKOQJRUCERBYHT-UHFFFAOYSA-N 288.283 2.702 50 50 CFGA CCC(=O)N/N=C(\C)c1cc(C)ccc1OC(F)F 221982349 ZCPHFAMVTMSKCZ-CXUHLZMHSA-N 270.279 2.847 50 50 CFGA COc1cc(/C=N/NC(C)=O)ccc1OCc1ccccc1 4372823 VHBFAIYAWZCQMX-WOJGMQOQSA-N 298.342 2.744 50 50 CFGA C[C@H]1CC[C@@H](NC(=O)CCl)Cc2ccccc21 1875368189 XYOUCMRXKUBXRA-CMPLNLGQSA-N 251.757 2.850 50 50 CFGA C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](C)Cl 1875376140 NGDNNFMBUAZHDE-LBPRGKRZSA-N 283.803 2.996 50 50 CFGA CC1(CBr)COc2cscc2OC1 1535543624 JAUXNDYCQQIFQX-UHFFFAOYSA-N 263.156 2.921 50 50 CFGA CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 4372678 WPDYRPZVTPYYRG-GZTJUZNOSA-N 268.316 2.736 50 50 CFGA N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccc(F)c(F)c1 207728 PRDOCKGPOGBRNF-HNNXBMFYSA-N 299.280 2.765 50 50 CFGA N#C/C(=C1/C(=O)Nc2ccccc21)c1ccc([N+](=O)[O-])cc1 71772394 BZBGYYFGRITTHS-SQFISAMPSA-N 291.266 2.981 50 50 CFGA N#C/C(=C\c1ccc(O)cc1)C(=O)NC1CCCCC1 442120 DUPVLVSNYMMWHR-JLHYYAGUSA-N 270.332 2.748 50 50 CFGA Cc1cccc(/C=N/NC(=O)Cc2cccs2)c1 554546 KGZUGLOSXHQBLV-XNTDXEJSSA-N 258.346 2.749 50 50 CFGA CCc1cccc(CC)c1N(COC)C(=O)CCl 900557 XCSGPAVHZFQHGE-UHFFFAOYSA-N 269.772 2.987 50 50 CFGA endogenous,in-man O=C(N/N=C1\CCCc2ccccc21)[C@@H](O)c1ccccc1 267215 TWQZWFXUEHGDSY-PJCCXHTNSA-N 294.354 2.577 50 50 CFGA O=C(Cl)c1c(F)cccc1I 2243284 KUULKUHCAMRGCF-UHFFFAOYSA-N 284.455 2.809 50 50 CFGA in-vitro CCCc1n[nH]c2c1[C@@H](c1ccsc1)C(C#N)=C(N)O2 13153389 XFJJRPKPJBEGSO-NSHDSACASA-N 286.360 2.642 50 50 CFGA CCO/C=C1/N=C([C@@H](Cl)c2ccccc2)OC1=O 1624708 UCDJNAAUMIQNQM-UQSGXBNBSA-N 265.696 2.800 50 50 CFGA O=C(N/N=C1/C[C@@H]2C=CC[C@H]12)[C@H]1C[C@H]1c1ccccc1 245228014 YHEIMBVHBHKWFQ-ADNIMOPASA-N 266.344 2.858 50 50 CFGA C[C@@H](Cl)C(=O)N1CC(CC(F)F)(C2CC2)C1 1875370623 WIVWIUBZZMVBAU-SSDOTTSWSA-N 251.704 2.508 50 50 CFGA COC(=O)N/N=C(\C)c1sc(-c2ccncc2)nc1C 5678682 YZSSNRULKUKJDV-CXUHLZMHSA-N 290.348 2.594 50 50 CFGA Cc1c(/C=N/NC(=O)c2ccncc2)c2ccccc2n1C 434880 DYNVGMUHDYGMRP-YBFXNURJSA-N 292.342 2.646 50 50 CFGA CC1(C)OC[C@@H](O)[C@H](CCO[Si](C)(C)C(C)(C)C)O1 169837377 CJIAMZIRVBWAQU-NEPJUHHUSA-N 290.476 2.911 50 50 CFGA CCOc1ccccc1/C=C1/C(=O)ON=C1CCl 34926716 SGYUXAGLTOHCTB-JXMROGBWSA-N 265.696 2.620 50 50 CFGA N#C/C(=C\c1ccc(O)cc1)C(=O)NCc1ccccc1 71353 RCKZSMPYPDOOCC-XNTDXEJSSA-N 278.311 2.616 50 50 CFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cccc(F)c1 71079 ZKBQIEXFNPGBTI-AWEZNQCLSA-N 284.290 2.640 50 50 CFGA OCCCC/C=C\CCI 43761496 UMKOHXVROZAICI-IWQZZHSRSA-N 254.111 2.530 50 50 CFGA C[C@H](Cl)C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 1875380420 OMRTVOPFHPTTCM-MYPMTAMASA-N 293.794 2.645 50 50 CFGA C=CC[C@H]1CC[C@@]2(CCCO2)C(=O)[C@H]1Br 36429124 GRKMLTJAWCYZCM-NHCYSSNCSA-N 273.170 2.854 50 50 CFGA CC[C@H](Br)C(=O)Nc1ccc(NC(C)=O)cc1 3122791 MCBNOAMRHNYHSC-NSHDSACASA-N 299.168 2.757 50 50 CFGA CCOC(=O)c1c(NC(=O)CCl)sc(C)c1CC 3268109 IFWWAPSENGVWCY-UHFFFAOYSA-N 289.784 2.973 50 50 CFGA NNC(=O)c1sccc1OCc1ccc(Cl)cc1 169905 YXTTYRUXJLIJKD-UHFFFAOYSA-N 282.752 2.584 50 50 CFGA O=C(N/N=C/c1ccccn1)c1ccc(-n2cccc2)cc1 372782 ITESAPFEGZTEIL-CPNJWEJPSA-N 290.326 2.636 50 50 CFGA C[C@@H](Br)C(=O)NCc1ccc(F)c(Cl)c1 235059180 IMTMCWVXBHZHIK-ZCFIWIBFSA-N 294.551 2.879 50 50 CFGA CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCl 1323268855 GVAXBHBQVYBTIF-UHFFFAOYSA-N 268.788 2.728 50 50 CFGA O=C(CBr)Nc1cccc(Br)c1 5816369 SJFXGCHSXQQAEW-UHFFFAOYSA-N 292.958 2.783 50 50 CFGA N#CC1=C(N)Oc2cc(O)ccc2[C@H]1[C@@H]1CC=CCC1 115362 WNWHKBUEMGBZFB-MEBBXXQBSA-N 268.316 2.918 50 50 CFGA C[C@@H](Cl)C(=O)N[C@H](c1ccnc(Cl)c1)C1CC1 1875378084 VLCWNJPTHRZKSX-HQJQHLMTSA-N 273.163 2.930 50 50 CFGA C[C@@H](Cl)C(=O)N1CC2(CC(OCc3ccccc3)C2)C1 1875370116 BZQNANRVEJICDU-GFCCVEGCSA-N 293.794 2.822 50 50 CFGA Cc1cc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[nH]n1 4427334 JXZKNSZCVBUKCK-GIDUJCDVSA-N 297.145 2.789 50 50 CFGA CCOc1cccc(/C=N/NC(=O)c2ccc(F)cc2)c1 371083 BIECEJQZROHTMQ-WOJGMQOQSA-N 286.306 2.988 50 50 CFGA COc1ccccc1/C=C(/C#N)C(=O)NCc1ccco1 33089259 RNYRKWLHSXLDEA-LCYFTJDESA-N 282.299 2.512 50 50 CFGA Cn1cc(C(=O)NNc2ccccc2)c2ccccc21 194747008 DMNOUKHSWKNUEC-UHFFFAOYSA-N 265.316 2.935 50 50 CFGA CC1(C)O[C@@H](c2ccco2)CN1C(=O)C(Cl)Cl 5454973 MCNOFYBITGAAGM-MRVPVSSYSA-N 278.135 2.719 50 50 CFGA endogenous,in-man CO/N=C/C(C#N)=C/c1cc(C(=O)c2ccccc2)cn1C 3046897 UMUORWOQIYVWGI-ZXOAYOIJSA-N 293.326 2.795 50 50 CFGA NC(=O)c1ccccc1NC(=O)[C@H](Cl)c1ccccc1 35411851 LEXDKBKPPGTZJE-CYBMUJFWSA-N 288.734 2.704 50 50 CFGA C[C@H](Cl)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1 1875364644 PERLGMWMISWOBX-NWDGAFQWSA-N 272.820 2.527 50 50 CFGA Cc1nc2c(s1)[C@H](N(C)C(=O)CCl)CCC2 1323268608 DEYAFMQRKZEJRK-SECBINFHSA-N 258.774 2.526 50 50 CFGA CCCCCCCC(=O)NNC(=O)c1ccc(F)cc1 2766184 MTXOXIRPSPJIGS-UHFFFAOYSA-N 280.343 2.947 50 50 CFGA O=c1cc(Cl)c(-c2ccccc2)nn1CCl 255189894 SVGBQJDSVANMJW-UHFFFAOYSA-N 255.104 2.760 50 50 CFGA O=C(CCl)N[C@]1(C(F)(F)F)CCc2ccccc21 1875377921 RHPNIEOEVHDJHC-LLVKDONJSA-N 277.673 2.745 50 50 CFGA C[C@]1(c2ccccc2)C(C#N)=C(N)OC2=C1C(=O)CCC2 239938 WRNVQPQEMSTMGN-KRWDZBQOSA-N 280.327 2.675 50 50 CFGA O=C(NNC(=O)c1ccccc1Cl)Nc1ccccc1 485156 LLYXYTDGGORQEU-UHFFFAOYSA-N 289.722 2.807 50 50 CFGA C[C@]1(C(=O)Cl)CC1(Br)Br 3096020 YBVMOPAXONJJDD-SCSAIBSYSA-N 276.355 2.648 50 50 CFGA Cc1nc(-c2ccc(CBr)cc2)no1 4277356 BMXSEDLZMUPKSH-UHFFFAOYSA-N 253.099 2.940 50 50 CFGA O=C(NNc1ccc([N+](=O)[O-])cc1)Nc1ccccc1 4863737 LACJWRZIZABXNR-UHFFFAOYSA-N 272.264 2.743 50 50 CFGA COc1ccc(C(=O)N/N=C2/CCC[C@H](C)C2)cc1 4977542 BLTYFMJFUKWDRH-CQINNJSPSA-N 260.337 2.991 50 50 CFGA CC(C)NC(=O)c1cccc(-c2noc(CCl)n2)c1 34924937 BEUDZRIUDJCYPA-UHFFFAOYSA-N 279.727 2.614 50 50 CFGA COc1ccc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 175896 PLQZKYYTCTWXGP-AKLVUOHOSA-N 294.354 2.949 50 50 CFGA C[C@H]1C(C#N)=C(SCC#N)NC2=C1C(=O)CC(C)(C)C2 2848680 PHWULYWLCMPJLC-VIFPVBQESA-N 287.388 2.861 50 50 CFGA Oc1nccc(CBr)c1C(F)(F)F 238710258 BDJOIUTYHOEWID-UHFFFAOYSA-N 256.021 2.701 50 50 CFGA Oc1cc(CBr)c(C(F)(F)F)cn1 238681598 UUDCMFPPJJSIGV-UHFFFAOYSA-N 256.021 2.701 50 50 CFGA COc1cc(NC(=O)CCl)c(OC)cc1Cl 2571697 YPJMTYOWJCAHSC-UHFFFAOYSA-N 264.108 2.535 50 50 CFGA in-vitro COc1cccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1 59302 QGRJSLBDQPFLOM-HNNXBMFYSA-N 296.326 2.510 50 50 CFGA COc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)cc1 271928 CGLDASKHZUZDOK-UHFFFAOYSA-N 293.326 2.514 50 50 CFGA CCCC[C@@H]1C[C@@H]1C(=O)NNC(=O)Nc1ccccc1 2913610 PMMHXQHXGCAEMS-YPMHNXCESA-N 275.352 2.666 50 50 CFGA COc1cc(Br)c(CC(=O)Cl)cc1OC 3130626 VAFRAGGSHGIDGS-UHFFFAOYSA-N 293.544 2.774 50 50 CFGA CCCc1[nH]nc2c1[C@@H]([C@H]1CC=CCC1)C(C#N)=C(N)O2 6589207 QJOIOHIELFOAGM-GWCFXTLKSA-N 284.363 2.888 50 50 CFGA COc1ccc2ccnc([C@@H](C)NC(=O)CCl)c2c1 1875370043 ZKAOGUONXHHXEO-SECBINFHSA-N 278.739 2.659 50 50 CFGA COc1cccc(/C=N/NC(=O)Nc2ccccc2)c1O 271329 GWXHTLBLIOXNHK-MHWRWJLKSA-N 285.303 2.556 50 50 CFGA CC(C)(C)c1cc(CCC(=O)NN)cc(C(C)(C)C)c1O 170456 KMWIPXLIKIAZMT-UHFFFAOYSA-N 292.423 2.910 50 50 CFGA CCOC(=O)c1cccc(NC(=O)C(Cl)Cl)c1 456542 NLWSKCMJCUUQLH-UHFFFAOYSA-N 276.119 2.606 50 50 CFGA COc1ccc(C=C(C#N)C#N)cc1CN1CCSCC1 2766591 LIYWXBAVDONVDB-UHFFFAOYSA-N 299.399 2.675 50 50 CFGA Cc1ccc(C)c(OCC(=O)N/N=C/c2ccccc2)c1 566315 IEKBRBCBHAUWBA-WOJGMQOQSA-N 282.343 2.833 50 50 CFGA CC1=C(C#N)C(c2ccc3c(c2)OCO3)C(C#N)=C(C)N1 19418545 DODAFGSDFLXOLV-UHFFFAOYSA-N 279.299 2.697 50 50 CFGA N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1[C@@H]1CC=CCC1 115359 WNWHKBUEMGBZFB-BMIGLBTASA-N 268.316 2.918 50 50 CFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1F 70974 MCQOOYJMMNHPQP-AWEZNQCLSA-N 284.290 2.640 50 50 CFGA O=C(O)c1ccc(OC(F)(F)[C@@H](F)Cl)cc1 2163679 UBPJCHITDRIJEB-MRVPVSSYSA-N 254.591 2.891 50 50 CFGA O=S(=O)(CCCc1ccccc1)C(Cl)Cl 101037766 ZIBHAUMLVVPUCR-UHFFFAOYSA-N 267.177 2.795 50 50 CFGA C[C@@H](Cl)C(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccccc1 1875377828 ORURIXJSXWSKHX-ZYHUDNBSSA-N 297.782 2.813 50 50 CFGA C[C@H](Cl)C(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C 1875364442 MSJIFIHQTKHKEL-XHSYRHOGSA-N 267.756 2.683 50 50 CFGA CCOc1ccc(OCC)c(/C=C(\C#N)C(=O)OC)c1 43604 DGHJBFIBUOKRBC-XYOKQWHBSA-N 275.304 2.564 50 50 CFGA C[C@H]1C=C[C@@H](C)[C@]23CCc4ccccc4[C@]12C(=O)OC3=O 257357325 NKYDTFPGUPBBDS-BVNNNZQISA-N 282.339 2.782 50 50 CFGA COC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 5660050 WMDMCQWRPPRNQF-DHZHZOJOSA-N 298.254 2.935 50 50 CFGA C/C(=N/NC(=O)c1ccccc1O)c1cccs1 12342918 JRWZNMYOTJJQNK-ZROIWOOFSA-N 260.318 2.608 50 50 CFGA CC(C)(C)C1=CC(=NNC(N)=O)C=C(C(C)(C)C)C1=O 18122656 IDOADAREWHGTMX-UHFFFAOYSA-N 277.368 2.538 50 50 CFGA O=C(COc1ccccc1)N/N=C/c1ccc(Cl)cc1 580531 FATRRRUQHAGSLY-LICLKQGHSA-N 288.734 2.869 50 50 CFGA Cc1cccc(OCC(=O)N/N=C/C=C/c2ccco2)c1 3155067 YQULLBPZWJRWGT-JDKJHHCNSA-N 284.315 2.782 50 50 CFGA O=C(Cl)COc1c(F)c(F)c(F)c(F)c1F 1627120 WQLJMPAQIWVNGS-UHFFFAOYSA-N 260.545 2.526 50 50 CFGA C/C(=N/NC(=O)c1ccccc1)c1ccc(F)cc1 4946963 RJXBIVYXMVWUAM-BOPFTXTBSA-N 256.280 2.980 50 50 CFGA Cc1ccc(/C=N\NC(=O)c2ccc(F)cc2)c(O)c1 4784556 QWODJMVLPNIUBU-MFOYZWKCSA-N 272.279 2.604 50 50 CFGA C[C@H]1C=C[C@@H](C)[C@]23CCc4ccccc4[C@@]12C(=O)OC3=O 257357327 NKYDTFPGUPBBDS-ZXYKHMISSA-N 282.339 2.782 50 50 CFGA O=C(N/N=C/c1cccc(O)c1O)c1cccc(Cl)c1 125319 HDOHGVZLKWRKGE-LZYBPNLTSA-N 290.706 2.515 50 50 CFGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccc(F)c1 240725 UABMVZXMXSVPSO-RFAUZJTJSA-N 298.317 2.886 50 50 CFGA O=C(NN=C1[C@H]2CC3C[C@H]1CC(O)(C3)C2)Nc1ccccc1 100806955 QMWMCZATQCLCIC-UDRCLVEDSA-N 299.374 2.735 50 50 CFGA C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1cccc(O)c1 254496348 YJUPDVAOGVPEBO-NYLOLIOWSA-N 284.359 2.994 50 50 CFGA CCOc1ccc2ccccc2c1/C=N\NC(=O)OC 13111181 JUGKLBUWCIOZDH-YBEGLDIGSA-N 272.304 2.928 50 50 CFGA Cc1ccc(NC(=O)CCl)c(Br)c1 122154 FNUAOVLAPWPQET-UHFFFAOYSA-N 262.534 2.935 50 50 CFGA CCCC[C@H]1C[C@@H]1C(=O)NNC(=O)Nc1ccccc1 2913608 PMMHXQHXGCAEMS-AAEUAGOBSA-N 275.352 2.666 50 50 CFGA C/C(=N\NC(=O)c1cccnc1)c1ccc(C)cc1C 4976250 GRKCZDSLXKIHKC-QGOAFFKASA-N 267.332 2.852 50 50 CFGA C/C(=N\NC(=O)c1ccc2[nH]cnc2c1)c1ccc(F)cc1 33325945 TWZXIGFOZOVRIT-KEBDBYFISA-N 296.305 2.856 50 50 CFGA C[C@H](Cl)C(=O)N[C@@H](C)c1csc(C2CC2)n1 1875364063 HUIXUQCJWJTMBY-BQBZGAKWSA-N 258.774 2.825 50 50 CFGA CC(C)[C@H](NC(=O)CCl)c1nc2ccccc2[nH]1 1319784763 LAQZLBDYKVZAGA-LBPRGKRZSA-N 265.744 2.615 50 50 CFGA COc1ccccc1/C=N/NC(=O)c1cccs1 228141 SAQVZFJFQMSYKT-NTEUORMPSA-N 260.318 2.521 50 50 CFGA [O-][n+]1ccccc1S[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1Cl 245328614 VPJMOIZJZVYUCD-GAIPPQHRSA-N 255.770 2.818 50 50 CFGA C[C@H](Cl)C(=O)N[C@H]1CCCN(C2CCCCC2)C1 1875364645 PERLGMWMISWOBX-RYUDHWBXSA-N 272.820 2.527 50 50 CFGA C[C@H](Cl)C(=O)NCc1ccnc(-c2ccccc2)c1 1875380484 QIDPGHBFKXFEHO-NSHDSACASA-N 274.751 2.992 50 50 CFGA COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCl 1875374990 MYUFMDBWUSXTLK-ZDUSSCGKSA-N 292.766 2.909 50 50 CFGA C[C@@H](Cl)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1 1875364646 PERLGMWMISWOBX-VXGBXAGGSA-N 272.820 2.527 50 50 CFGA O=C(CCl)N[C@@H](C[C@H]1CCOC1)c1ccccc1 1875374996 NDGJNYQAELEMEQ-YPMHNXCESA-N 267.756 2.509 50 50 CFGA C[C@@H](NC(=O)CCl)c1ccc2ncsc2c1 1875389931 QIFUMZNZFFDFEB-SSDOTTSWSA-N 254.742 2.712 50 50 CFGA COc1ccc(-c2ccc(/C=C(\C#N)C(=O)O)o2)cc1 523293 GUUVCMLUIUJGRT-DHZHZOJOSA-N 269.256 2.947 50 50 CFGA COc1cccc(/C(C)=N/NC(=O)c2cccs2)c1 4499089 PHAJSBGLLRTSAJ-XNTDXEJSSA-N 274.345 2.911 50 50 CFGA Oc1nccc(C(F)(F)F)c1CBr 238709885 GFFIKNLZAWWSNX-UHFFFAOYSA-N 256.021 2.701 50 50 CFGA C[C@@H](Cl)C(=O)NCCC1CC(OC(C)(C)C)C1 1875376190 OOQYEOPEGITLGO-KPPDAEKUSA-N 261.793 2.714 50 50 CFGA O=C(NNC(=O)C1CCCCC1)c1ccc(Cl)cc1 296709 DDMTWOQLZXSHPR-UHFFFAOYSA-N 280.755 2.681 50 50 CFGA CCOC(=O)/C(C#N)=C1\C=Cc2ccccc2N1CC 33292939 XAJKDFPMPPTAMD-FYWRMAATSA-N 268.316 2.880 50 50 CFGA OB(O)c1cc2sc3ccccc3c2c2ccccc12 584906603 GDSIVKCZCZDTPN-UHFFFAOYSA-N 278.141 2.888 50 50 CFGA COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCl 1875374989 MYUFMDBWUSXTLK-CYBMUJFWSA-N 292.766 2.909 50 50 CFGA O=C(CCl)Nc1cccnc1C(=O)c1ccc(F)cc1 1875374608 AECUNOZXRDWHIX-UHFFFAOYSA-N 292.697 2.629 50 50 CFGA C/C(=N\NC(=O)c1ccoc1C)c1ccc([N+](=O)[O-])cc1 436973 VXAUTGJHCKWAME-OQLLNIDSSA-N 287.275 2.650 50 50 CFGA N#CCC(=O)N(Nc1ccccc1)c1ccccc1 396942 DRSHSEVEHNBEPS-UHFFFAOYSA-N 251.289 2.960 50 50 CFGA Cc1ccc(Nc2nc(N)nc(CCl)n2)cc1C 543700 QDBAZCUDCLLWLI-UHFFFAOYSA-N 263.732 2.553 50 50 CFGA OB(O)c1cc(-c2ccccc2)cc(-c2ccccc2)c1 169744909 MRBZYVMZUBUDAX-UHFFFAOYSA-N 274.128 2.700 50 50 CFGA in-vitro O=C(N/N=C/c1ccc(F)cc1Cl)c1ccc(O)cc1 1875264394 ZYNMRQHLLKFKKK-CAOOACKPSA-N 292.697 2.949 50 50 CFGA CC(C)(C)[C@@H]1CCc2cc(C(=O)NN)sc2C1 19737275 SXQVIBXIOIDPAU-SECBINFHSA-N 252.383 2.503 50 50 CFGA CC1(C)OB(c2ccc(CBr)cc2)OC1(C)C 169745013 CBUOGMOTDGNEAW-UHFFFAOYSA-N 297.001 2.881 50 50 CFGA CCCCNC(=O)NNC(=O)c1cccc2ccccc12 2090067 OLPSAERDRXOHCD-UHFFFAOYSA-N 285.347 2.584 50 50 CFGA Cc1cc(OCC(=O)N/N=C/c2ccoc2)ccc1Cl 2761574 SQJUXEGSOHGGOH-FRKPEAEDSA-N 292.722 2.771 50 50 CFGA CC1(C)OB(c2cccc(N=C=S)c2)OC1(C)C 252487939 IFEBGKYCPRDBJV-UHFFFAOYSA-N 261.155 2.720 50 50 CFGA Cc1ccccc1-n1nc(C)c(CNC(=O)CCl)c1C 1875363880 CNMDPRKHDSVHNB-UHFFFAOYSA-N 291.782 2.653 50 50 CFGA C[C@@H](Cl)C(=O)N[C@H]1CCCN(C2CCCCC2)C1 1875364643 PERLGMWMISWOBX-NEPJUHHUSA-N 272.820 2.527 50 50 CFGA O=C(CCl)N([C@H]1CCOC1)[C@H]1CCCc2occc21 1875382560 GYXPGMOIFRSUEE-JQWIXIFHSA-N 283.755 2.513 50 50 CFGA Cc1cccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1 283417 XSSKVHLAJWLMGQ-HNNXBMFYSA-N 280.327 2.810 50 50 CFGA O=C(Nc1ncc(Br)s1)OCCCl 2026839 HJDICBULLFURQK-UHFFFAOYSA-N 285.550 2.693 50 50 CFGA Nc1ccccc1C(=O)N/N=C/c1ccccc1Cl 45695 OEXMJSHKROJUOC-RQZCQDPDSA-N 273.723 2.686 50 50 CFGA O=C(CCCOc1ccccc1)NNc1ccccc1 4831213 RWZIPKZQKCKJHB-UHFFFAOYSA-N 270.332 2.989 50 50 CFGA COC(=O)Oc1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12 104126835 HZKOUOFKHVQNOA-UHFFFAOYSA-N 292.203 2.801 50 50 CFGA Br[C@H]1CC[C@H]2O[C@H]2CC[C@H]1Br 101042961 FDVJISGFGLBDFP-SOSBWXJGSA-N 283.991 2.855 50 50 CFGA C/C(=N\NC(=O)[C@H]1CC12CCC2)c1cccc([N+](=O)[O-])c1 4471647 BIPVDGXKWUOCRE-BVTUPMQUSA-N 287.319 2.625 50 50 CFGA CC(=O)OCC/C=C\CCCI 222037638 MPATYSYNNKUQCC-RQOWECAXSA-N 282.121 2.711 50 50 CFGA Cc1ccc(F)c(NC(=O)[C@H](C)Br)c1 235446339 WQICOAFQSCPZJS-ZETCQYMHSA-N 260.106 2.856 50 50 CFGA C[C@@H](Cl)C(=O)N1Cc2ccoc2CC(C)(C)C1 1875368053 MFSSEGZIIAOIKH-SECBINFHSA-N 255.745 2.818 50 50 CFGA COc1ccc2c(c1)C[C@@H](C)C[C@H]2NC(=O)CCl 1875367269 LCSZMELOMLSDPX-NOZJJQNGSA-N 267.756 2.674 50 50 CFGA C[C@H](NC(=O)[C@@H](C)Cl)c1ccc(C#N)cc1F 1875378225 XUDNZXDFJQLGLU-SFYZADRCSA-N 254.692 2.502 50 50 CFGA N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)c1ccc(F)cn1 584907267 LHQYTIHSYQQBTH-BJMVGYQFSA-N 285.234 2.899 50 50 CFGA CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)CC#N)C1 585088195 OKXMEHIIMORSNT-GFCCVEGCSA-N 282.460 2.913 50 50 CFGA Cc1sccc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1 438772 MMOYZMRGMNPPIB-RIYZIHGNSA-N 289.316 2.729 50 50 CFGA O=C(N/N=C/C=C/c1ccccc1)c1ccc(O)cc1O 25757721 UKRXWULTXWMBMT-CUQLSPFUSA-N 282.299 2.527 50 50 CFGA Fc1cc(-c2ncon2)ccc1CBr 85224634 ZBKXTEJUTGXVJL-UHFFFAOYSA-N 257.062 2.771 50 50 CFGA in-vitro Cc1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)o1 225350768 ZCIIYIQURJMPDZ-FXOAICCWSA-N 260.337 2.864 50 50 CFGA CC/C(=N/NC(=O)c1ccc(O)cc1)c1ccccc1 4963978 CSMFJBFNLSUVGG-ICFOKQHNSA-N 268.316 2.936 50 50 CFGA C[C@@H](Br)C(=O)NCCc1ccc(Cl)cc1 32919969 ZRIKJWRPOBCYNI-MRVPVSSYSA-N 290.588 2.782 50 50 CFGA C[C@]1(C(=O)NCc2cccs2)C[C@@H]1Br 864059133 YQEOUFQEBQKPAE-WPRPVWTQSA-N 274.183 2.538 50 50 CFGA CCCN(C[C@H]1COc2ccccc2O1)C(=O)[C@@H](C)Cl 1875363714 UTCVDGDVAYBLMK-NEPJUHHUSA-N 297.782 2.692 50 50 CFGA O=C(CCl)Nc1ccccc1Sc1ncccn1 1875374793 FGUVHXZDJFTEJM-UHFFFAOYSA-N 279.752 2.805 50 50 CFGA CC(/C=N/NC(=O)c1ccncc1)=C\c1ccccc1 4702586 FSFKVSPCDZARKW-GTSFMQCKSA-N 265.316 2.901 50 50 CFGA Cc1ccsc1/C=N/NC(=O)c1ccc2[nH]cnc2c1 8683425 UMSTZHLHSVAERN-REZTVBANSA-N 284.344 2.697 50 50 CFGA N#C/C(C(=O)N1CCCCC1)=C(/S)Nc1ccccc1 2996368 QHLKONZCWYPTNY-YPKPFQOOSA-N 287.388 2.776 50 50 CFGA C[C@H](Cc1ccc(Cl)s1)NC(=O)CCl 1875368052 LXTHQZUEJBTBIX-ZCFIWIBFSA-N 252.166 2.688 50 50 CFGA O=C(CCl)N[C@H](c1ccccc1)c1ccccn1 165538610 MMUCAFWOXPWJJB-CQSZACIVSA-N 260.724 2.526 50 50 CFGA O=S1(=O)C[C@]23CC=CC[C@@]2(CCCC3)[C@@H]1Cl 101042807 UYOHILFSRPWGMM-IJLUTSLNSA-N 260.786 2.877 50 50 CFGA Cc1ccc(OCC(=O)NC(C#N)=C(Cl)Cl)c(C)c1 1775977187 WVLDSHJCDYTLNE-UHFFFAOYSA-N 299.157 2.969 50 50 CFGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccco1 84603 BCWJDLZORIVLIJ-ZDUSSCGKSA-N 284.315 2.730 50 50 CFGA Cc1cc(C(=O)N/N=C/c2ccccc2F)c(C)o1 381485 RRDPRKXLDDEDPI-LZYBPNLTSA-N 260.268 2.799 50 50 CFGA C[C@H](Cl)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccn1 1875380132 GDSNBLAGPIUTCI-GMXVVIOVSA-N 266.772 2.536 50 50 CFGA CCC[C@H]1[C@@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 34954475 HKTRSZDHOCGAGO-OCCSQVGLSA-N 266.348 2.913 50 50 CFGA Cc1occc1C(=O)N/N=C/c1c[nH]c2ccccc12 256676 VXMQWBRDIZCABQ-RQZCQDPDSA-N 267.288 2.833 50 50 CFGA CCCCCC(=O)NNC(=S)Nc1ccccc1 4774850 MKQMPOVXRVQUFO-UHFFFAOYSA-N 265.382 2.585 50 50 CFGA Cc1ccc(F)cc1-c1nc(CCl)cc(=O)[nH]1 109597413 KZVVIQKWXYALKR-UHFFFAOYSA-N 252.676 2.623 50 50 CFGA C[C@@H](CCBr)NC(=O)OC(C)(C)C 95496258 BLROSIRAEKEFNI-ZETCQYMHSA-N 252.152 2.685 50 50 CFGA Cn1ncc(C2CCC2)c1C(=O)N1CCSSCC1 888100917 AINXQWWDJMBAAF-UHFFFAOYSA-N 297.449 2.525 50 50 CFGA Cc1cc(NC(=O)[C@H](Cl)c2ccccc2)no1 342404 WIROTDJNVBQVLU-LLVKDONJSA-N 250.685 2.902 50 50 CFGA C[C@H]1C=CC[C@]23CCc4ccccc4[C@@]12C(=O)OC3=O 101139515 MOHSPUUHSWDPSV-YMRXKLBXSA-N 268.312 2.536 50 50 CFGA CCOC(=O)NN(C(=O)OCC)[C@H](C)Cc1ccccc1 71771955 HDKVPSWPEUZFFF-GFCCVEGCSA-N 294.351 2.737 50 50 CFGA C[C@H](Cl)C(=O)N1CCCO[C@@H](c2ccccc2)C1 1875364835 VIEPKFLSXZIAHD-WCQYABFASA-N 267.756 2.604 50 50 CFGA Cc1cccc(-c2cc(C(=O)NN)c3ccccc3n2)c1 373863 ISRQFDBCLWAFKT-UHFFFAOYSA-N 277.327 2.814 50 50 CFGA C=CCc1cc(C=C(C#N)C#N)cc(OCC)c1O 454440 JNLOZJMPIHDTQR-UHFFFAOYSA-N 254.289 2.950 50 50 CFGA N#CC(C#N)=Cc1cc(I)ccc1F 395967 WVTRFJNCBHHSNI-UHFFFAOYSA-N 298.058 2.861 50 50 CFGA C[C@H](Cl)C(=O)N[C@H](C)c1ccccc1-n1cccn1 1875363896 CWIIVYXWYHWSRN-WDEREUQCSA-N 277.755 2.677 50 50 CFGA COc1cccc(C(=O)N/N=C(\C)c2cccs2)c1O 222145858 XEWKYWWFTAJMMM-OQLLNIDSSA-N 290.344 2.616 50 50 CFGA Cc1ccc(NC(=O)CI)c(C)c1 2519861 VBNBUTCQUATMKW-UHFFFAOYSA-N 289.116 2.677 50 50 CFGA COC1(OC)[C@@]2(Cl)CC[C@@]1(Cl)[C@H](Cl)[C@@H]2Cl 101018509 VLEBYRRBGMTEDL-ULAWRXDQSA-N 294.005 2.953 50 50 CFGA N#CSc1c(-c2ccc(Br)cc2)n[nH]c1N 408891685 BFIXYWNUVIKUTK-UHFFFAOYSA-N 295.165 2.995 50 50 CFGA CC[C@@H]1[C@H]2C[C@H](C)CC=C2C(C#N)=C(N)C1(C#N)C#N 34954616 ILTQEXWFTNKXCI-SCDSUCTJSA-N 266.348 2.769 50 50 CFGA C/C=C1\CN2CC[C@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1ccccc14 253487992 VFUITWPFKLGEQA-IZTNDWTESA-N 292.382 2.857 50 50 CFGA COc1ccc(/C=N/NC(=O)Nc2ccccc2)cc1OC 301520 YGXDPUBMVLBQID-GZTJUZNOSA-N 299.330 2.859 50 50 CFGA CCCc1[nH]nc2c1[C@H]([C@H]1CC=CCC1)C(C#N)=C(N)O2 6589208 QJOIOHIELFOAGM-GXFFZTMASA-N 284.363 2.888 50 50 CFGA CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC2)c1C 193330824 HSUKBXJGQYFYCA-XNTDXEJSSA-N 271.364 2.654 50 50 CFGA CCOc1ccc(/C=N/NC(=O)c2ccoc2C)cc1 228183 FHAXVQKXMNRUOZ-MHWRWJLKSA-N 272.304 2.751 50 50 CFGA Cc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)s1 47850 UVJUSIXMKOEUQU-ZDUSSCGKSA-N 286.356 2.871 50 50 CFGA C[C@]1(C(=O)NC2CCCCC2)C[C@H]1Br 2893101 OSVYCPYDMQUWLQ-KOLCDFICSA-N 260.175 2.609 50 50 CFGA C[C@H]1CCCN(CC(=O)C(C#N)=C2Nc3ccccc3N2)C1 55531335 BZSULJIRDNQYMW-LBPRGKRZSA-N 296.374 2.560 50 50 CFGA O=C(CCl)N1CCC(OCc2ccccc2F)CC1 1875374663 BXMMUYVHRJLTCC-UHFFFAOYSA-N 285.746 2.572 50 50 CFGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1 2485540 JORSFMZSKBBLEZ-MEBBXXQBSA-N 280.327 2.747 50 50 CFGA CC(C)(C)OC(=O)CCCI 39224337 JOCPIDVCNQGZGA-UHFFFAOYSA-N 270.110 2.543 50 50 CFGA in-vitro O=C(NNC(=O)Nc1ccccc1)Nc1ccccc1 524781 CAFPBXHDHCAAHE-UHFFFAOYSA-N 270.292 2.545 50 50 CFGA C[C@H](Cl)C(=O)N[C@@H](Cc1ccccc1)c1ncco1 1875380290 KVLJMHUFDBLCKR-JQWIXIFHSA-N 278.739 2.702 50 50 CFGA C[C@H](Cl)C(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C 1875364434 MSJIFIHQTKHKEL-BSTOTGJRSA-N 267.756 2.683 50 50 CFGA O=C(CCl)N[C@@H](c1ccccc1)c1ccccn1 165538464 MMUCAFWOXPWJJB-AWEZNQCLSA-N 260.724 2.526 50 50 CFGA CNC(=O)c1ccc(/C=C(\C#N)c2ccccn2)cc1 212801442 PCEQWEWRYKCOIZ-GXDHUFHOSA-N 263.300 2.505 50 50 CFGA CN(C)c1ccc(/C=N/NC(=O)c2ccccc2)cc1 130735 DWXAPYADWDBIII-SFQUDFHCSA-N 267.332 2.517 50 50 CFGA Cc1ccc(C(=O)/C=C/NNC(=O)c2ccccc2)cc1 100408490 KBGGSOWNTANCBX-VAWYXSNFSA-N 280.327 2.626 50 50 CFGA CC1=C(C#N)[C@H](c2ccc(O)cc2)C2=C(CCCC2=O)N1 100524751 IAXQYZLNOFRSSP-INIZCTEOSA-N 280.327 2.884 50 50 CFGA O=C(CBr)c1c(F)cc(F)cc1F 16125727 HCUDUMSINCWZFD-UHFFFAOYSA-N 253.017 2.682 50 50 CFGA in-vitro COc1cc2oc(=O)cc(CBr)c2cc1OC 57797 JGODLBJJCNQFII-UHFFFAOYSA-N 299.120 2.705 50 50 CFGA biogenic,in-vitro C[C@H](Cl)C(=O)Nc1cc(CC(C)(C)C)nn1C 1875364715 RLEJCSIFJMJDGC-QMMMGPOBSA-N 257.765 2.575 50 50 CFGA CCCc1[nH]nc2c1[C@H](c1ccccc1)C(C#N)=C(N)O2 4453457 GORPQIWGUYANRU-CYBMUJFWSA-N 280.331 2.580 50 50 CFGA C[C@H](Cl)C(=O)NCCCc1c[nH]c2ccc(F)cc12 1875377231 AXXKHFQRNIDBDK-VIFPVBQESA-N 282.746 2.983 50 50 CFGA O=C(CCl)Nc1cccc(NC(=O)c2ccoc2)c1 1341509855 OKLJEICUYWETTJ-UHFFFAOYSA-N 278.695 2.709 50 50 CFGA O=C(CCCC1CCOCC1)NNc1ccc(F)cc1 281132204 FDAVAKKYPBTBQO-UHFFFAOYSA-N 280.343 2.866 50 50 CFGA COC(=O)[C@@H](CCBr)c1ccccc1 163603149 UDINMLIFCVXPIE-JTQLQIEISA-N 257.127 2.728 50 50 CFGA Cc1cccc(NCCCC(=O)N/N=C/c2cccnc2)c1 2996130 QQAVHBMMORVMPF-DEDYPNTBSA-N 296.374 2.732 50 50 CFGA CC(/C=N/NC(=O)Cc1cccn1C)=C\c1ccccc1 4899273 XHPTXSLPPJQCFM-AZSRAVPMSA-N 281.359 2.773 50 50 CFGA C[C@H](Cl)C(=O)N[C@@H]1CCc2ccccc2-n2ccnc21 1875380496 QSJQXAGGZRUPCY-CMPLNLGQSA-N 289.766 2.603 50 50 CFGA C/C(=N\NC(=O)c1cccnc1)c1ccc(Cl)cc1 12343253 YETFDTLCYFFIBG-LICLKQGHSA-N 273.723 2.889 50 50 CFGA O=C(NC(=O)c1ccccc1)Oc1ccc([N+](=O)[O-])cc1 291447 LDLCMGABVUDBPZ-UHFFFAOYSA-N 286.243 2.524 50 50 CFGA Cc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c(C)s1 8578011 KBTLBGSIJNVSAF-LBPRGKRZSA-N 286.360 2.615 50 50 CFGA CN1CCC(=NNC(=O)Cc2cccc3ccccc23)CC1 55071962 FQIXUPUDFNYZAN-UHFFFAOYSA-N 295.386 2.580 50 50 CFGA COC(=O)[C@H](Br)c1ccccc1Cl 9428924 HMBUCZUZRQQJQD-MRVPVSSYSA-N 263.518 2.949 50 50 CFGA in-vitro O=C(NCCCl)Nc1ccc(F)c(Cl)c1 225872782 SPTZEABNDZUQML-UHFFFAOYSA-N 251.088 2.839 50 50 CFGA C[C@H](Cl)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccn1 1875380131 GDSNBLAGPIUTCI-DMDPSCGWSA-N 266.772 2.536 50 50 CFGA C[C@@H](Cl)C(=O)NC[C@@H](O)c1cc2ccccc2s1 1875364621 ZXDJYJWULWEDSQ-PSASIEDQSA-N 283.780 2.678 50 50 CFGA CCCCCC(=O)N/N=C/c1ccccc1[N+](=O)[O-] 2676189 JVZHJSPOBISXJY-GXDHUFHOSA-N 263.297 2.625 50 50 CFGA C[C@@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@H](c1ccccc1)C2 315580 XPUAIYQLZQFQRL-PWSUYJOCSA-N 280.327 2.747 50 50 CFGA CC/C(=N\NC(=O)c1ccc(C)o1)c1ccccc1O 4498927 HKCKEOHPWYVCHD-FOWTUZBSSA-N 272.304 2.838 50 50 CFGA C[C@@H](CNC(=O)[C@H](C)Cl)Oc1cccc(Cl)c1 1875364627 OYFSSWWSQWSMJD-IUCAKERBSA-N 276.163 2.851 50 50 CFGA CCCCN(C(=O)CCl)[C@H]1CCc2ncsc2C1 1875374987 MYQQUNVRLVKQCB-JTQLQIEISA-N 286.828 2.868 50 50 CFGA O=C(CCCc1ccccc1)N/N=C/c1ccccc1O 35653653 PFNHJTODIFRHQE-QGOAFFKASA-N 282.343 2.865 50 50 CFGA CCC[C@H](C)Oc1ccc(-c2ccc(B(O)O)cc2)cc1 169903683 GHVDSTWRPUFXCV-ZDUSSCGKSA-N 284.164 2.601 50 50 CFGA in-vitro O=C(N/N=C/c1ccccc1Cl)c1ccc(O)cc1O 292654 BMOLSWNBSAPVRZ-LZYBPNLTSA-N 290.706 2.515 50 50 CFGA Cc1cc(C)n(-c2ccccc2CNC(=O)[C@@H](F)Cl)n1 2325898290 ZMALMJZTZFRHNO-CYBMUJFWSA-N 295.745 2.640 50 50 CFGA O=C(CBr)Nc1ccc(F)cc1Cl 82506172 BJXXZDILVJGKRC-UHFFFAOYSA-N 266.497 2.813 50 50 CFGA O=C(N/N=C/c1c[nH]c2ccccc12)c1ccco1 381267 XYOZAIHSFXJRMW-CXUHLZMHSA-N 253.261 2.525 50 50 CFGA C/C(=N/NC(=O)CNc1ccc(C)cc1)c1ccccc1O 100480234 QOHHYULPHVTKDG-UYRXBGFRSA-N 297.358 2.653 50 50 CFGA Cc1ccc(/C=N/NC(=O)Cc2cccs2)s1 28669 HDZZIKMAJOYLTC-MDWZMJQESA-N 264.375 2.811 50 50 CFGA CC(C)CC(=O)N/N=C/c1ccc(OC2CSC2)cc1 440107 JUNTTYUMNQLKQX-LZYBPNLTSA-N 292.404 2.677 50 50 CFGA Cc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 240939 ROKPUAXQRPPEIH-OAHLLOKOSA-N 280.327 2.810 50 50 CFGA C/C(=N\NC(=O)c1ccccc1)c1ccccc1C(=O)O 4962471 SJFAZWUAIGJLMH-GZTJUZNOSA-N 282.299 2.539 50 50 CFGA C[C@@H](Cl)C(=O)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 1875375617 FZJAFBJNLBDCKH-MFKMUULPSA-N 294.782 2.566 50 50 CFGA C[C@@]1(C(=O)Cl)CC1(Br)Br 3096019 YBVMOPAXONJJDD-BYPYZUCNSA-N 276.355 2.648 50 50 CFGA CC[C@@H](Br)C(=O)NCc1ccc(F)cc1 32919907 XIYNKXFUIQOADN-SNVBAGLBSA-N 274.133 2.615 50 50 CFGA CC(C)Oc1cc(CN(C(=O)[C@@H](C)Cl)C2CC2)ccn1 1875377567 HGRIRPFAURLYMV-LLVKDONJSA-N 296.798 2.987 50 50 CFGA CC(C)(CNC(=O)CCl)c1ccc(Cl)cc1 1319675297 ZELHXORAJJXEDW-UHFFFAOYSA-N 260.164 2.973 50 50 CFGA O=C(N/N=C/c1ccc(Cl)cc1)[C@@H]1CC12CCC2 62440 JVHOFZSJXHNBCG-RGZVIEDOSA-N 262.740 2.980 50 50 CFGA COc1ccc(Cl)cc1C(=O)CBr 2383681 LKMDYDGPEROASV-UHFFFAOYSA-N 263.518 2.926 50 50 CFGA in-vitro N#C/C(=C\c1ccco1)c1nc(O)c2ccccc2n1 4718690 MDGPKXVKZCGQCO-CSKARUKUSA-N 263.256 2.993 50 50 CFGA O=C(NNc1cccc(Cl)c1)C(=O)c1cccs1 2862261 GZJISXGTFQHEQE-UHFFFAOYSA-N 280.736 2.728 50 50 CFGA COc1ccc(/C(C)=N/NC(=O)c2cccs2)cc1 12572660 YCVKPUFYXAMCAQ-XNTDXEJSSA-N 274.345 2.911 50 50 CFGA N#C/C(=C\C=C\c1ccccc1)C(=O)NCc1cccnc1 13113727 PEQAOXWRBPFEKE-KGUOSTGJSA-N 289.338 2.861 50 50 CFGA O=C(Nc1cc(CC2CCCC2)no1)[C@@H](F)Cl 2325901690 UFMNACMAAOMTTE-SNVBAGLBSA-N 260.696 2.880 50 50 CFGA FC(F)(Cl)[C@H](Cl)I 95698210 DKUCKYGZQSGSOX-PVQJCKRUSA-N 260.836 2.818 50 50 CFGA CC(C)(C)OC(=O)NN=C1CCN(CC(F)(F)F)CC1 170625078 YESBAWUDPFKGKS-UHFFFAOYSA-N 295.305 2.525 50 50 CFGA CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)CC#N)C1 585088196 OKXMEHIIMORSNT-LBPRGKRZSA-N 282.460 2.913 50 50 CFGA COc1cccc(/C=N/NC(=O)COc2ccc(C)cc2)c1 431435 PLGYXVWQYZFSJN-WOJGMQOQSA-N 298.342 2.533 50 50 CFGA CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)o1 13810390 OYZZWAOHMXJNLS-BENRWUELSA-N 281.315 2.891 50 50 CFGA CC[C@@H](C(=O)O)P(=O)(c1ccccc1)c1ccccc1 296248 FUVUTQFTUFYTAS-HNNXBMFYSA-N 288.283 2.864 50 50 CFGA COC(=O)/C=C/c1ccc(CBr)cc1 2583896 ZSRCGGBALFGALF-VOTSOKGWSA-N 255.111 2.768 50 50 CFGA in-vitro O=C(CI)Nc1ccccc1Cl 6227113 DQTFYVUPBVUMGW-UHFFFAOYSA-N 295.507 2.714 50 50 CFGA C/C(=N\NC(=O)c1ccccc1O)c1ccccc1 12343243 WFXWQJZQAHFAQN-LFIBNONCSA-N 254.289 2.546 50 50 CFGA O=C(Nc1c(F)c(F)cc(F)c1F)C(Cl)Cl 3080951 SMEMCKVDAWQLPD-UHFFFAOYSA-N 276.016 2.985 50 50 CFGA COc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1 4722941 MARWHLOHAXQPHF-RAXLEYEMSA-N 294.310 2.946 50 50 CFGA O=C(C[C@H]1CCCCCN1C(=O)CCl)c1ccco1 1320465862 PSCMAHNQOAIJHP-LLVKDONJSA-N 283.755 2.862 50 50 CFGA O=C(N/N=C/c1cccnc1)c1ccc2ccccc2c1O 375142 OCTYVSRPJTZGKC-YBFXNURJSA-N 291.310 2.704 50 50 CFGA CCOc1ccccc1NC(=O)[C@@H](C)Br 41712150 DWTFDMRBQXQXSB-MRVPVSSYSA-N 272.142 2.807 50 50 CFGA C[C@@H](Cl)C(=O)N1CC(C)(C)O[C@@]2(C[C@@H]3CC[C@H]2C3)C1 1875376290 RHNSGGHPRLNVKM-FJJYHAOUSA-N 285.815 2.810 50 50 CFGA Cc1ccc(OCCOCCBr)cc1 2896089 LVBWMDKWEUKHLW-UHFFFAOYSA-N 259.143 2.785 50 50 CFGA CCOC(=O)/C(C#N)=C/c1cccc(OC)c1Cl 4541920 NTUBNAXGOCJEIE-JXMROGBWSA-N 265.696 2.819 50 50 CFGA Cc1cc(NC(=O)[C@H](C)Br)ccc1F 235448278 VXZUQSQCIRZXGA-ZETCQYMHSA-N 260.106 2.856 50 50 CFGA CCc1nc2c(s1)[C@@H](N(C)C(=O)CCl)CCC2 1319921292 BCJWDDFVJQGCNL-VIFPVBQESA-N 272.801 2.780 50 50 CFGA N#CC(C#N)=Cc1ccc(F)c(I)c1 602993673 YAVKFHWECQIOCF-UHFFFAOYSA-N 298.058 2.861 50 50 CFGA CC(C)(C)OC(=O)N1CCC(Br)CC1 2527229 KZBWIYHDNQHMET-UHFFFAOYSA-N 264.163 2.781 50 50 CFGA in-vitro Cc1ccccc1C(=O)NN(C)C(=O)c1ccccc1C 44125045 CXBKEJFBFFEEIB-UHFFFAOYSA-N 282.343 2.720 50 50 CFGA Br[C@H]1CC[C@@H]2O[C@H]2CC[C@H]1Br 257346418 FDVJISGFGLBDFP-YWIQKCBGSA-N 283.991 2.855 50 50 CFGA O=S1(=O)CC23CC=CCC2(CC=CC3)[C@@H]1Cl 5413159 BWNCZALTXQSFOM-VOMCLLRMSA-N 258.770 2.653 50 50 CFGA C=C(C)C(=O)OCCC[Si](C)(OCC)OCC 169806715 DOYKFSOCSXVQAN-UHFFFAOYSA-N 260.406 2.641 50 50 CFGA Cc1ccsc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 371158 LUBQPUOHTYPTKP-RIYZIHGNSA-N 289.316 2.729 50 50 CFGA Clc1ncc(CI)c(Cl)n1 40564582 NEIMQFSSWKAYTR-UHFFFAOYSA-N 288.903 2.718 50 50 CFGA in-vitro CC(C)=NNC(=O)[C@H](C)Oc1ccc(Cl)cc1 439480 RGMHPDSGWFKBMW-VIFPVBQESA-N 254.717 2.619 50 50 CFGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc[nH]2)[C@@H]2CCCC=C12 19860525 MUDRVGIGKNSODE-IUODEOHRSA-N 289.342 2.608 50 50 CFGA Cc1cc(C)c(-c2cc(=NC(=O)[C@@H](F)Cl)[nH][nH]2)cc1C 2325898656 QYVLYRDIYXZRMR-CYBMUJFWSA-N 295.745 2.897 50 50 CFGA CC1(C)CC(=O)C2=C(C1)O[C@@H](c1ccncc1)C(C#N)=C2N 190053 VCUCNQUBAZWSOP-INIZCTEOSA-N 295.342 2.532 50 50 CFGA C[C@H](Cl)C(=O)NC(C)(C)c1cc(C(F)(F)F)on1 1875366091 LAFBNLYNSHHQBW-YFKPBYRVSA-N 284.665 2.672 50 50 CFGA COc1ccc(NC(=O)/C(C#N)=C/c2cccnc2)cc1 445111 GFUNAFAMWBKUBW-UKTHLTGXSA-N 279.299 2.636 50 50 CFGA O=C(CCl)NCc1nsc2ccc(Cl)cc12 1875375234 VYOJDBGGNGIYCF-UHFFFAOYSA-N 275.160 2.805 50 50 CFGA C/C(C#N)=C\Cn1nc(C(C)(C)C)c(CCC#N)c1O 1775990491 MLAGSXBKYJHHCP-YRNVUSSQSA-N 272.352 2.812 50 50 CFGA C[C@@H](Cl)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 19737268 FOPBVFOFCVMMDI-RXMQYKEDSA-N 263.080 2.814 50 50 CFGA O=C1Nc2cccnc2N(C(=O)CCl)c2ccccc21 502134 RMBZFWLMYVPNGI-UHFFFAOYSA-N 287.706 2.551 50 50 CFGA in-vitro COc1ccc(/C(C)=N/NC(=O)c2ccccc2)c(OC)c1 4947946 OBCVGXKJYVWUOV-LDADJPATSA-N 298.342 2.858 50 50 CFGA N#C/C(=C/c1ccc2oncc2c1)C(=O)NC1CCCC1 864087270 QSLSRVYOHWIYHU-GHXNOFRVSA-N 281.315 2.794 50 50 CFGA Cc1ccc(/C=N/NC(=O)c2c(C)nc3ccccn23)cc1 275842 BVPFUKZKGPSCKH-WOJGMQOQSA-N 292.342 2.715 50 50 CFGA Cc1ccccc1C(=O)NNC(=O)c1ccccc1Cl 112719 APOFLWYVMSGBRC-UHFFFAOYSA-N 288.734 2.723 50 50 CFGA Cc1ccc(C(=O)N[C@@H](N=C=S)C(Cl)Cl)cc1 283750 DNZKNWFNYNXMJG-SNVBAGLBSA-N 289.187 2.957 50 50 CFGA COc1ccccc1[C@H]1CSCCCN1C(=O)CCl 1335818907 UGHGEMVDUFQDKY-GFCCVEGCSA-N 299.823 2.941 50 50 CFGA CCOc1ccccc1/C=N/NC(=O)COc1ccccc1 580195 AZSUUFYOSYJOMH-LDADJPATSA-N 298.342 2.614 50 50 CFGA N#C/C(=C\c1ccco1)C(=O)NCc1ccccc1 440071 GSHOWOVDVQOHCN-UKTHLTGXSA-N 252.273 2.503 50 50 CFGA O=S1(=O)C[C@]23C=CC=C[C@@]2(CCCC3)[C@H]1Cl 100969710 GPAIKHSCWSQBTK-QJPTWQEYSA-N 258.770 2.653 50 50 CFGA O=C(CCl)NCc1cccnc1Oc1cccc(F)c1 1323270935 ZTYASYHJXUMJCT-UHFFFAOYSA-N 294.713 2.868 50 50 CFGA CCC[C@@H](C)[C@@H]1C(C#N)=C(N)Oc2cc(N)ccc21 240013 TZNWAYGSFFXCRN-OTYXRUKQSA-N 257.337 2.875 50 50 CFGA C[C@H](Oc1ccccc1)C(=O)NN=Cc1ccccc1 238900813 KEROMGGTCHNRIM-ZDUSSCGKSA-N 268.316 2.604 50 50 CFGA C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 12343207 RKVYBNSYDOHBPH-LFIBNONCSA-N 283.287 2.749 50 50 CFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1 104259 HCKBOQXEKJNSSC-AWEZNQCLSA-N 266.300 2.501 50 50 CFGA CCc1ccc(/C=N/NC(=O)c2ccoc2C)cc1 228156 YKOLOISHXPBCJG-MHWRWJLKSA-N 256.305 2.914 50 50 CFGA COc1ccc(C(=O)N/N=C/c2cc3ccccc3[nH]2)cc1 246044 MLMSEPOGMZJPLA-WOJGMQOQSA-N 293.326 2.940 50 50 CFGA CC(=O)Nc1ccc(/C=N/NC(=O)c2ccc(C)cc2)cc1 1763982 ARFWVASDJZLORK-WOJGMQOQSA-N 295.342 2.717 50 50 CFGA Cc1ccccc1-c1nnc(NC(=O)CCl)s1 216706744 JLODJCBSFWIJMS-UHFFFAOYSA-N 267.741 2.691 50 50 CFGA COc1ccc(C(=O)Cl)cc1I 36469812 ZFSIGTASDSRLCO-UHFFFAOYSA-N 296.491 2.679 50 50 CFGA CCOc1ccccc1/C=N/NC(=O)Cc1cccs1 553233 VETWBNFPNUPENJ-LFIBNONCSA-N 288.372 2.840 50 50 CFGA Cc1cc(/C=N/NC(N)=O)c(C)n1-c1cccc(Cl)c1 448635 IDQQTPSULYNMOZ-CAOOACKPSA-N 290.754 2.750 50 50 CFGA O=C(Cc1cccs1)N/N=C/c1ccccc1F 2507082 AOAROABYRQKTJU-OQLLNIDSSA-N 262.309 2.580 50 50 CFGA FC(F)(F)C(F)(F)CI 1726079 HENALDZJQYAUBN-UHFFFAOYSA-N 259.943 2.619 50 50 CFGA C[C@H](Br)C(=O)Nc1ccc(F)cc1F 41676989 LBYJGXWJARKHGQ-YFKPBYRVSA-N 264.069 2.687 50 50 CFGA Cc1[nH]nc2c1[C@@H]([C@H](C)c1ccccc1)C(C#N)=C(N)O2 5013416 LLWDWAXQJRDOLH-RNCFNFMXSA-N 280.331 2.692 50 50 CFGA CCC[C@H]1C(C#N)=C(N)Oc2n[nH]c(C(C)(C)C)c21 6499292 QTTHRHXOTSDFHQ-QMMMGPOBSA-N 260.341 2.677 50 50 CFGA Cc1oc2ccccc2c1CCNC(=O)CCl 1875378058 UYUBNWWSTDAEQQ-UHFFFAOYSA-N 251.713 2.639 50 50 CFGA O=C(N/N=C1\C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)c1cccnc1 1875390440 FJUUDDZJEBOWNS-HULMCVBOSA-N 269.348 2.624 50 50 CFGA CCCCOc1ncccc1CNC(=O)C1CC(Cl)C1 585122345 XNWYFXYAQYEDLA-UHFFFAOYSA-N 296.798 2.894 50 50 CFGA Cc1ccc(C(=O)NC(C#N)=C(Cl)Cl)cc1 374164 NAZVTDQQLCHPDT-UHFFFAOYSA-N 255.104 2.895 50 50 CFGA O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccco1 435958 NLDWDFCBSGXCNF-UHFFFAOYSA-N 299.113 2.661 50 50 CFGA Cc1ccccc1C(=O)N[C@H]1C[N+]2(CCl)CCC1CC2 1776004885 PTFBHAFTRIYMTO-BTUGKURYSA-O 293.818 2.530 50 50 CFGA Nc1ncc(C(F)(F)F)cc1CBr 238678462 IWYHIHFRBDHSCR-UHFFFAOYSA-N 255.037 2.578 50 50 CFGA O=C(Oc1ccc([N+](=O)[O-])cc1)C1[C@@H]2CCCC[C@@H]12 362713 CLCUOMFYLGWDBT-VXGBXAGGSA-N 261.277 2.936 50 50 CFGA C[C@@H]1CN(C(=O)CCl)CC[C@H](c2ccccc2)O1 1875367240 FKMBPRFKABRXAS-DGCLKSJQSA-N 267.756 2.604 50 50 CFGA O=C(CSc1ccccc1)N/N=C/c1ccccc1O 450225 KAZXHYKPOGAUNF-MHWRWJLKSA-N 286.356 2.635 50 50 CFGA CCOC(=O)/C(C#N)=C\c1cccc(Br)c1 5315169 OTVZAMWNYOAFBV-POHAHGRESA-N 280.121 2.919 50 50 CFGA C[C@@H]1CCc2nc([C@@H](C)NC(=O)CCl)sc2C1 1875367620 WIGZDVVUCKJXGH-HTQZYQBOSA-N 272.801 2.684 50 50 CFGA O=C(CCl)Nc1c(F)cc(F)cc1Br 4690896 VIYRSFGUQQLVND-UHFFFAOYSA-N 284.487 2.905 50 50 CFGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1cnccn1 228516 CALRLLSTHLCJSU-UBKPWBPPSA-N 295.129 2.547 50 50 CFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccsc1 290499 ULGVBDCGDKSKFA-LBPRGKRZSA-N 272.329 2.563 50 50 CFGA CO[C@]1(C)OO[C@](C)(O)C12[C@H]1CC[C@H]2c2ccccc21 247887514 SBLJMFQAJJHXCN-ZQDZILKHSA-N 276.332 2.681 50 50 CFGA Cc1nc([C@H]2CCCN2C(=O)[C@H](C)Cl)cs1 1875366498 PHLRVGUZVXOIEV-OIBJUYFYSA-N 258.774 2.742 50 50 CFGA Cn1cccc1C(=O)N/N=C1\C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 1875390555 MFEHUXVQOXXHAL-XDLHLYLFSA-N 271.364 2.567 50 50 CFGA CC(C)NC(=O)Nc1ccccc1NC(=O)[C@@H](F)Cl 1875362280 YRMKGZALPVJKJD-SNVBAGLBSA-N 287.722 2.689 50 50 CFGA CCCCCCCC(=O)NNC(=O)c1ccccc1F 2779689 JZAHHWSWENDWAY-UHFFFAOYSA-N 280.343 2.947 50 50 CFGA Cc1ccsc1/C=N/NC(=O)c1cc(C(C)(C)C)n[nH]1 4927985 RZOPDLQPYCWIQT-OVCLIPMQSA-N 290.392 2.841 50 50 CFGA CC1(C)[C@H]2CC[C@@]1(CI)C(=O)C2 100746539 KQYSDWDPNRZEJA-OIBJUYFYSA-N 278.133 2.817 50 50 CFGA CCN(CCNC(=O)[C@@H](C)Cl)c1cccc(C)c1 1875363932 DQECRZSOEILYRS-GFCCVEGCSA-N 268.788 2.565 50 50 CFGA CC[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](C)[C@@H]2C1 106229688 MLINCYMNYRQLLS-WZRBSPASSA-N 266.348 2.769 50 50 CFGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccccc1 242219 JPRGQRYFEJFAOR-AWEZNQCLSA-N 298.342 2.721 50 50 CFGA COc1ccccc1/C=N\NC(=O)CNc1ccccc1C 16671396 FCRIARWHRHIMNQ-ODLFYWEKSA-N 297.358 2.566 50 50 CFGA N#CC1=C(N)C(C#N)(C#N)C2(CCCC2)[C@@H]2CCC=C12 19899017 PBTDXURSDVMETO-CYBMUJFWSA-N 264.332 2.667 50 50 CFGA N#CC1(C#N)[C@H]2C=C[C@@H](Cl)C=CC=C[C@H]2C1(C#N)C#N 254500735 HFLMZNCJCDHLAR-XQQFMLRXSA-N 280.718 2.589 50 50 CFGA C[C@@H](Cl)C(=O)N1CCSc2ccccc2C1 1875364368 LYKPEPKDTKMITR-SECBINFHSA-N 255.770 2.748 50 50 CFGA O=C(CCc1ccccc1)N/N=C/c1ccc(F)cc1 273651 ZTRXDDAKXHSCKY-LDADJPATSA-N 270.307 2.909 50 50 CFGA Cc1cccc(OCC(=O)N/N=C/c2cccc(C)c2O)c1 431525 FOKMNZAYUQPCTG-VCHYOVAHSA-N 298.342 2.538 50 50 CFGA CC(Cl)(Cl)C(=O)N[C@@H]1CCCC[C@H]1Cl 5613606 RWXNHNFHOFTRCJ-RNFRBKRXSA-N 258.576 2.846 50 50 CFGA CCCCCC(=O)N/N=C(\C)c1ccc(O)c(OC)c1 4989939 VKVWISZIBSSUCE-LFIBNONCSA-N 278.352 2.821 50 50 CFGA C/C(=N\NC(=O)c1ccc(F)cc1)c1ccccc1 4990613 VTVFVDJSEJPGBQ-GZTJUZNOSA-N 256.280 2.980 50 50 CFGA N#CC1=C(S)NC(=O)C[C@H]1c1ccccc1Cl 8973110 GWXBVHXMWBYSCL-QMMMGPOBSA-N 264.737 2.608 50 50 CFGA CCO[C@H](C)c1nc(CN(C)C(=O)[C@H](C)Cl)cs1 1875364533 UOECZYVKBAKCNO-DTWKUNHWSA-N 290.816 2.826 50 50 CFGA CCc1ccc(-n2c(C)cc(/C=N/NC(N)=O)c2C)cc1 448542 FCZUKXAOIDZSOW-VCHYOVAHSA-N 284.363 2.659 50 50 CFGA CCOC1=C(C#N)CCc2c1c(C)nn2-c1ccccn1 2080385588 RKIIXFXXFZIJMM-UHFFFAOYSA-N 280.331 2.793 50 50 CFGA O=C(CCl)Nc1cccc2c1C(=O)c1ccccc1C2=O 4603062 FMDOTSUXGLXEGS-UHFFFAOYSA-N 299.713 2.639 50 50 CFGA CC[C@H]1[C@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 34954473 VTUSSDFWHHKMGK-AAEUAGOBSA-N 252.321 2.523 50 50 CFGA N#CC1(C#N)[C@H]2C=CC=C[C@H](Cl)C=C[C@@H]2C1(C#N)C#N 1501065322 HFLMZNCJCDHLAR-AVGNSLFASA-N 280.718 2.589 50 50 CFGA Cc1cc(/C=N/NC(N)=O)c(C)n1-c1ccc(Cl)cc1 447394 HZPHTHOIFUAQQM-CAOOACKPSA-N 290.754 2.750 50 50 CFGA O=C(N/N=C/c1cccc(O)c1)[C@@H]1C[C@@H]1c1ccccc1 4188145 LFFBLYGCBPJLBH-JDPRVQSZSA-N 280.327 2.646 50 50 CFGA CC[C@H](Br)C(=O)N1CCOc2ccc(C)cc21 32919859 KEPSWUJICNXFDE-JTQLQIEISA-N 298.180 2.894 50 50 CFGA O=C1OC(=O)[C@H]2[C@@H]1[C@H]1CCCC[C@H]1[C@H]1CCCC[C@H]12 254478343 TXZFDXCATILDFU-LRRLDJKKSA-N 262.349 2.929 50 50 CFGA C[C@H](Cl)C(=O)N1C[C@H]2CCCCC[C@@]2(C#N)C1 1875380655 VKIXMMHRRNYKSB-DMDPSCGWSA-N 254.761 2.546 50 50 CFGA C/C(=N/NC(N)=O)c1ccc2c(c1)Cc1ccccc1-2 12342874 RPXQPPGBHZOHQP-ZDLGFXPLSA-N 265.316 2.650 50 50 CFGA C/C(=N/NC(=O)c1ccncc1)c1ccccc1Cl 4743963 QZWHCEOEMMVVBN-YVLHZVERSA-N 273.723 2.889 50 50 CFGA in-vitro O=C(NN=C1CCCCC1)c1cccc([N+](=O)[O-])c1 231864 BHPSQCFOXDAZJT-UHFFFAOYSA-N 261.281 2.645 50 50 CFGA CC1=C(C#N)C(c2nc(C)cs2)C(C#N)=C(C)N1 25695138 IJRSCDSAHLKRQX-UHFFFAOYSA-N 256.334 2.733 50 50 CFGA O=C(CBr)c1cc(OCc2ccccc2)no1 142030758 FRFSVXHASPPWPV-UHFFFAOYSA-N 296.120 2.831 50 50 CFGA C[C@@H](Cl)C(=O)N1CC2(CCOCC2)[C@@H]1c1ccco1 1875380752 YODLYVLZPOCJRU-PWSUYJOCSA-N 283.755 2.587 50 50 CFGA Cc1ccsc1/C=N/NC(=O)Cn1cnc2ccccc21 276035 IPNXCFSTQVAQSF-CAOOACKPSA-N 298.371 2.557 50 50 CFGA O=C1OC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 101010945 NXMGMVOZNAQZEE-AWEZNQCLSA-N 267.284 2.907 50 50 CFGA C/C(=N\NC(=O)COc1cccc(C)c1)c1ccc(O)cc1 587982 SZEPPVAGXAWVQR-QGOAFFKASA-N 298.342 2.620 50 50 CFGA CSC1=C(C#N)[C@H](c2ccccc2F)CC(=O)N1 8969613 LENMAWVBHUCBAM-VIFPVBQESA-N 262.309 2.527 50 50 CFGA CCCCCCCCCC[C@@H](CCO)C(=O)NN 100328119 ANSYTRFIPSHDDN-ZDUSSCGKSA-N 258.406 2.506 50 50 CFGA Cc1cc(C=C2CCN(C(=O)[C@@H](C)Cl)CC2)no1 1875364409 MEHCCMPNLREXPB-SNVBAGLBSA-N 268.744 2.616 50 50 CFGA Cc1ccc(I)cc1C(=O)Cl 145121436 WKRKOJKYDUWPTQ-UHFFFAOYSA-N 280.492 2.979 50 50 CFGA COC(=O)[C@@H](Br)c1ccc(Cl)cc1 34459722 LWQLLIVTGSMSCT-QMMMGPOBSA-N 263.518 2.949 50 50 CFGA in-vitro COc1cc(C=C(C#N)C#N)cc(Br)c1OC 163230 NCIFIMHIMCXFDA-UHFFFAOYSA-N 293.120 2.897 50 50 CFGA O=C1c2cccc3cccc(c23)C(=O)N1CCCl 4529528 AWVXDWQRGJLTBI-UHFFFAOYSA-N 259.692 2.675 50 50 CFGA O=C(CN1CCCCCC1)N/N=C/c1ccccc1Cl 4990369 BDBPVRDBAUQHSZ-GZTJUZNOSA-N 293.798 2.666 50 50 CFGA O=C(CCl)N[C@@H](c1ccccc1)C1CCOCC1 1323269098 JTYOBTRMWRMPHX-AWEZNQCLSA-N 267.756 2.509 50 50 CFGA CCCCOc1ccc(/C=N/C(C#N)=C(\N)C#N)cc1 2028958 BNJAHKRXYYDKSJ-KZZQRDKKSA-N 268.320 2.502 50 50 CFGA CN(C)/C=C(/C#N)Oc1cc(F)ccc1Br 169620346 ZSPMSHBXZABZBC-CLFYSBASSA-N 285.116 2.894 50 50 CFGA N=C(N)SCP(=O)(c1ccccc1)c1ccccc1 8565153 AMYLJMRRCMPYGD-UHFFFAOYSA-N 290.328 2.585 50 50 CFGA CC1(C)CC(=O)[C@H](C(=O)c2ccccc2)C(=O)[C@H]1Cl 100319391 BLFQLOXHVZSMJH-BXUZGUMPSA-N 278.735 2.661 50 50 CFGA CCCc1cc(C(=O)N/N=C/c2cccn2C)cs1 374091 KRNVQXKLZNMRGV-OQLLNIDSSA-N 275.377 2.803 50 50 CFGA CC(C)c1ccc(Cn2[nH]cc/c2=N\C(=O)CCl)cc1 1772715363 OSAZBDYWGCNPQM-NBVRZTHBSA-N 291.782 2.654 50 50 CFGA Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCl 1875363689 RZMPASWJMJNACQ-UHFFFAOYSA-N 291.782 2.686 50 50 CFGA CCO[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F 169839857 HOENFMGYUBYVDH-UHFFFAOYSA-N 270.273 2.831 50 50 CFGA CC[C@H](Br)C(=O)N(C)c1ccc(F)cc1 34926258 HEDYTRLWIOSDBF-JTQLQIEISA-N 274.133 2.962 50 50 CFGA O=C(CBr)Cc1cccc(Br)c1 84199265 BBJLLMBVMZQQNF-UHFFFAOYSA-N 291.970 2.956 50 50 CFGA COCC(=O)N1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1 585088359 XNRKIYPCEVRAEN-GFCCVEGCSA-N 287.476 2.646 50 50 CFGA Cc1cc([N+](=O)[O-])cnc1NCC(Cl)Cl 328589100 TUGHGEUPIAYRET-UHFFFAOYSA-N 250.085 2.514 50 50 CFGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccc(F)c1 240727 UABMVZXMXSVPSO-BJOHPYRUSA-N 298.317 2.886 50 50 CFGA Cc1ccc(S(=O)(=O)[C@@H]2CCC[C@H]2Cl)cc1 1700455 ODICXHKSKRSPEO-VXGBXAGGSA-N 258.770 2.929 50 50 CFGA NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 2522279 LQJFLGKXJRWHKR-UHFFFAOYSA-N 276.723 2.523 50 50 CFGA BrC[C@H]1CN/C(=N\c2ccccc2)S1 5774551 LTSYSLLVQJSRTF-VIFPVBQESA-N 271.183 2.774 50 50 CFGA Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NN 137377 IVYIDBDPOPYCGE-UHFFFAOYSA-N 286.118 2.560 50 50 CFGA CCc1cc(O)nc(-c2cccc(NC(=O)CCl)c2)n1 1341509914 RQANYHYXXQBZJM-UHFFFAOYSA-N 291.738 2.589 50 50 CFGA CC(C)c1ccc(/C=N/NC(=O)c2cc(O)cc(O)c2)cc1 288645 ZIGXWHLSICAKFG-VCHYOVAHSA-N 298.342 2.985 50 50 CFGA BrCc1ccc(Br)nc1 33947574 CRRMIKBAPPOPNW-UHFFFAOYSA-N 250.921 2.739 50 50 CFGA in-vitro Cc1cc(C)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c(C)c1 270551 ZWCNVZJEDSPOMC-OAHLLOKOSA-N 294.358 2.862 50 50 CFGA Cc1ccccc1/C=N\NC(=O)CNc1ccccc1C 4981867 UQGGNBCWZQSJNO-ODLFYWEKSA-N 281.359 2.866 50 50 CFGA CCOc1ccccc1NC(=O)[C@H](C)Br 41712154 DWTFDMRBQXQXSB-QMMMGPOBSA-N 272.142 2.807 50 50 CFGA Cc1ccc(-c2ccc(/C=C(\C#N)C(N)=O)o2)c([N+](=O)[O-])c1 442083 DQZXQNYTXNOOCS-JXMROGBWSA-N 297.270 2.556 50 50 CFGA Cc1ccccc1NC(=O)NNC(=O)OC(C)(C)C 4820435 PZOVIIOCFDSEKC-UHFFFAOYSA-N 265.313 2.556 50 50 CFGA CC1(C)CC[C@@H]2/C(=N/NC(N)=O)[C@H]3C=C[C@@H](CC3)[C@@H]21 102318972 NTGGHQHMXQJJLB-FCMCDWQZSA-N 261.369 2.659 50 50 CFGA CC(C)(C)C(=O)/C=C/NNC(=O)c1ccc(Cl)cc1 2893234 OLBFBXGUYGLIHL-CMDGGOBGSA-N 280.755 2.703 50 50 CFGA N[C@H]1CCCC[C@@H]1SS[C@@H]1CCCC[C@H]1N 384584828 UFIZSWYVTOBFGA-BKUVIOGVSA-N 260.472 2.908 50 50 CFGA Cc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 70912 ULYOODAPSTYMOS-HNNXBMFYSA-N 280.327 2.810 50 50 CFGA COc1ccc(NC(=O)/C(C#N)=C/c2ccco2)cc1 445548 CMEHUHARULIQCQ-PKNBQFBNSA-N 268.272 2.834 50 50 CFGA C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)CCl 1875367298 PJEIPHLVJXTUHS-BXKDBHETSA-N 288.174 2.867 50 50 CFGA CC(C)(C)OC(=O)N1CC[C@@](F)(CBr)C1 95630137 OUGGBJCLSCFLRW-SNVBAGLBSA-N 282.153 2.730 50 50 CFGA in-vitro N#Cc1c(/N=C(\N)CCl)sc2c1CCCC2 5290201 DBPMPOACBGDLDD-UHFFFAOYSA-N 253.758 2.726 50 50 CFGA O=C(C(Cl)Cl)N1CC[C@H](c2ccccc2)C1 615966 GWGIAEUFYRGILA-JTQLQIEISA-N 258.148 2.806 50 50 CFGA CCc1c(C(=O)N/N=C/c2ccncc2)csc1C 375103 BNEQDLOLIQNYGS-LZYBPNLTSA-N 273.361 2.778 50 50 CFGA N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccc(F)cc1F 4007366 OCHFAZCCFZCRGP-HNNXBMFYSA-N 299.280 2.765 50 50 CFGA COc1cc(NC(=O)C(C)(C)CCl)cc(OC)c1 2569410 DUSLEHJSBPZZFH-UHFFFAOYSA-N 271.744 2.907 50 50 CFGA C[C@@H]1CCCCN1S(=O)(=O)c1ccc(N=C=S)cc1 19737300 VITUFBHUBOQDCY-LLVKDONJSA-N 296.417 2.984 50 50 CFGA CC(C)N(C(=O)CCl)c1ccc(N2CCOCC2)cc1 1253968434 QMPGVKTUVRLXCG-UHFFFAOYSA-N 296.798 2.503 50 50 CFGA CC1=C(C#N)C(c2cccc(O)c2)C(C#N)=C(C)N1 408670 PGVAEAJVRSAKCA-UHFFFAOYSA-N 251.289 2.674 50 50 CFGA Cc1cccc(NC(=O)CI)c1C 2519860 NBJJOGNDMHFQDF-UHFFFAOYSA-N 289.116 2.677 50 50 CFGA COc1ccc2c(c1)CC[C@@H](Br)C2=O 33359473 NAXVBXDTOCUKNH-SNVBAGLBSA-N 255.111 2.588 50 50 CFGA O=C(Cl)C1CCN(C(=O)OCc2ccccc2)CC1 2582820 KUBUQFFBRSHOMJ-UHFFFAOYSA-N 281.739 2.801 50 50 CFGA in-vitro C/C(=N\NC(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 4948983 PMFZWUMLOIYDFO-SFQUDFHCSA-N 297.314 2.678 50 50 CFGA O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(C2CC2)n[nH]1 8817004 IBBFBSVAUOCUEP-GIJQJNRQSA-N 293.330 2.532 50 50 CFGA [O-][n+]1ccccc1S[C@H]1[C@H]2CC[C@@H](C2)[C@H]1Cl 245328616 VPJMOIZJZVYUCD-XPXLGCRWSA-N 255.770 2.818 50 50 CFGA C[C@H](Cl)C(=O)N1CCc2ccc(F)cc2[C@@H]1C 1875364736 RZVMIZQDJMHHAS-IUCAKERBSA-N 255.720 2.899 50 50 CFGA O=[N+]([O-])c1ccc(OCCCBr)cc1 1603963 LIBYGKUWXRBMPA-UHFFFAOYSA-N 260.087 2.759 50 50 CFGA in-vitro CCc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)s1 2807385 QXDXZQAGNCQLAG-UHFFFAOYSA-N 288.401 2.529 50 50 CFGA COC(=O)c1c(NC(=O)[C@@H](C)Cl)sc2c1CCC2 36963453 MHKKSWRUFQEVKZ-ZCFIWIBFSA-N 287.768 2.589 50 50 CFGA Cc1ccc(C(=O)N/N=C\c2c[nH]c3ccccc23)o1 32608637 SGYXFNPXFYTOBA-MFOYZWKCSA-N 267.288 2.833 50 50 CFGA C[C@@H](Cl)C(=O)N1CCCc2ccc(N(C)C)cc2C1 1875375766 HZJVPYFSBBFIHV-LLVKDONJSA-N 280.799 2.655 50 50 CFGA CCOc1cc(/C=N/NC(=O)c2cccs2)ccc1O 246857 UOHASOYILKNJKH-OQLLNIDSSA-N 290.344 2.616 50 50 CFGA Cc1ccccc1/C=N/NC(=O)Cc1cccs1 553950 RMBOHJAPAJQOIV-XNTDXEJSSA-N 258.346 2.749 50 50 CFGA CCc1n[nH]c2c1[C@H](C1CCCCC1)C(C#N)=C(N)O2 155502 IJNLOQMPFVOIBQ-GFCCVEGCSA-N 272.352 2.722 50 50 CFGA COc1ccc(C)cc1NC(=O)NCCCCl 4557309 KDWZKNUCWHRDQT-UHFFFAOYSA-N 256.733 2.754 50 50 CFGA O=C(N/N=C/c1ccc([N+](=O)[O-])s1)C1[C@@H]2CCCC[C@@H]12 100311189 MWEPLDZUOTVQQC-UKPKIQPSSA-N 293.348 2.543 50 50 CFGA O=C(N/N=C1\C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)c1cccnc1 1875390441 FJUUDDZJEBOWNS-UDGPSLGWSA-N 269.348 2.624 50 50 CFGA C[C@H](Cl)C(=O)N1CC2(CCOCC2)[C@@H]1c1ccco1 1875380751 YODLYVLZPOCJRU-JQWIXIFHSA-N 283.755 2.587 50 50 CFGA Nc1ccc(C(=O)N/N=C/C=C/c2ccccc2)cc1 1741127 ZEFVWVLAAHAGBG-ZTKKEOLVSA-N 265.316 2.698 50 50 CFGA O=C(OCCCl)Oc1ccc2sc(=O)oc2c1 3084844 QJBNJZAVTOCVTA-UHFFFAOYSA-N 274.681 2.609 50 50 CFGA O=C(OCc1nccs1)Oc1ccc([N+](=O)[O-])cc1 118827219 RCBGLLBKNIDPIN-UHFFFAOYSA-N 280.261 2.767 50 50 CFGA COCCN(C(=O)CCl)c1c(C)cccc1C 2005705 SCCDDNKJYDZXMM-UHFFFAOYSA-N 255.745 2.522 50 50 CFGA biogenic,in-vitro O=C(CBr)c1ccnc(C(F)(F)F)c1 199751652 QBFQEOKOEQGDTL-UHFFFAOYSA-N 268.032 2.678 50 50 CFGA N#CSc1ccc([N+](=O)[O-])c(Br)c1 604220524 SNWDYGOKQXTVTO-UHFFFAOYSA-N 259.084 2.930 50 50 CFGA CC(C)(C)[Si](C)(C)OCc1ccc(C(=O)NN)cc1 169987486 MLASCKILMYIEBF-UHFFFAOYSA-N 280.444 2.812 50 50 CFGA CCO/C=C1/N=C([C@H](Cl)c2ccccc2)OC1=O 1624706 UCDJNAAUMIQNQM-RJCSOLBVSA-N 265.696 2.800 50 50 CFGA N#C/C(=C/c1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1 4723650 SGOYCINADXVYGR-UVTDQMKNSA-N 292.294 2.930 50 50 CFGA O=C(N/N=C/c1cccnc1)c1cccc2ccccc12 292886 BPMQSIGDQYIYQM-XDHOZWIPSA-N 275.311 2.999 50 50 CFGA O=C(CCl)NCc1cn(C(F)F)c2ccccc12 1330273263 AQBGOMGYAFNGFI-UHFFFAOYSA-N 272.682 2.891 50 50 CFGA CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)CCl 1319683132 XIOISBDMNITMNH-CYBMUJFWSA-N 287.762 2.583 50 50 CFGA COc1ccc(NC(=O)/C(C#N)=C/c2cccc(O)c2)cc1 445429 IFBGHEBDCSGANJ-UKTHLTGXSA-N 294.310 2.946 50 50 CFGA Cc1ccc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)cc1 12970169 DBABOGBMBFHFGP-DJKKODMXSA-N 278.315 2.635 50 50 CFGA COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 104265 CQZGQKZADZHJSK-HNNXBMFYSA-N 296.326 2.510 50 50 CFGA CC[C@H](Br)C(=O)Nc1cccc(OC)c1 45796268 PNXMUVDPEHHRLV-JTQLQIEISA-N 272.142 2.807 50 50 CFGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccco2)[C@@H]2CCCC=C12 19787259 DMVSJYJUZKLOEX-DOMZBBRYSA-N 290.326 2.873 50 50 CFGA C[C@H](Cl)C(=O)NC1(c2ccc(F)cc2)CCC1 1875364670 PTINXCAYFOLEIX-VIFPVBQESA-N 255.720 2.948 50 50 CFGA C[Si](C)(C)OCCOCCO[Si](C)(C)C 195807908 VZCNNAQIFXLAEZ-UHFFFAOYSA-N 250.487 2.706 50 50 CFGA in-vitro COc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1O 498010 DGBYGHBXPVTSLR-MHWRWJLKSA-N 285.303 2.556 50 50 CFGA Nc1nc(CCl)nc2sc3c(c12)CCCC3 2566512 IHDMZQUFZFWOPP-UHFFFAOYSA-N 253.758 2.891 50 50 CFGA COc1ccc(/C=N/NC(=O)COc2cccc(C)c2)cc1 260096 PSUBAHMLHQBHRA-WOJGMQOQSA-N 298.342 2.533 50 50 CFGA CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)C1CC1 118711368 DDZCNVHWTVEKDS-UHFFFAOYSA-N 272.345 2.826 50 50 CFGA Cc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 580477 MXGAVAUAOMRJQJ-MHWRWJLKSA-N 283.287 2.667 50 50 CFGA CCCC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1 2859829 XCRNUZFVQKTTSD-UHFFFAOYSA-N 262.353 2.545 50 50 CFGA N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1[C@H]1CC=CCC1 240101 KIEGMLPYAJDKNE-BONVTDFDSA-N 267.332 2.795 50 50 CFGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3)[nH]n2)o1 9013866 VRSTVWIVRJEDEL-LICLKQGHSA-N 294.314 2.742 50 50 CFGA C[C@@]1(C(=O)NCc2cccs2)C[C@@H]1Br 864059132 YQEOUFQEBQKPAE-WCBMZHEXSA-N 274.183 2.538 50 50 CFGA O=C(CBr)c1cc(F)c(F)cc1F 16125724 FUXKXNLPKBSNNE-UHFFFAOYSA-N 253.017 2.682 50 50 CFGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21CCCC1 223971 QQJVULBHWVKADA-UHFFFAOYSA-N 272.348 2.914 50 50 CFGA C/C(=N\NC(=O)c1cccc(C)c1)c1cccc(N)c1 280886 DDXBPALDVFKFPX-LDADJPATSA-N 267.332 2.731 50 50 CFGA O=C(CCl)Nc1ccccc1C(=O)NC1CCCCC1 25726813 IEUAQAHCWVVJMX-UHFFFAOYSA-N 294.782 2.926 50 50 CFGA O=C(N/N=C/c1ccco1)c1ccc2ccccc2n1 244845 SWEZHPBLJQMRDL-MHWRWJLKSA-N 265.272 2.592 50 50 CFGA CCC/C=C\C=N/NC(=O)c1ccc([N+](=O)[O-])cc1 5866529 MOMJYOVIQDZCIE-DXSVQLQZSA-N 261.281 2.667 50 50 CFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1[C@H]1CC=CCC1 115411 VCFQUELPHGNCFO-IINYFYTJSA-N 270.332 2.690 50 50 CFGA COC1(OC)[C@@]2(Cl)CC[C@@]1(Cl)[C@H](Cl)[C@H]2Cl 254877055 VLEBYRRBGMTEDL-WCTZXXKLSA-N 294.005 2.953 50 50 CFGA Cc1ccc(COc2ccc(/C=N/NC(N)=O)cc2)cc1 478842 OPAANKAECICUEG-VCHYOVAHSA-N 283.331 2.576 50 50 CFGA COc1ccccc1/C=N/NC(=O)c1cc(C)oc1C 228345 XMCNOHGBPAGSTR-CXUHLZMHSA-N 272.304 2.669 50 50 CFGA C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)[C@H](C)Cl 1875377324 CAKXUTZMWQFORY-UWVGGRQHSA-N 296.773 2.992 50 50 CFGA COC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1cccs1 432438 GPNIZTLIMFZBCI-NSHDSACASA-N 292.385 2.547 50 50 CFGA O=C(CCl)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 1327084375 BFJJEFKNRGOSQU-STQMWFEESA-N 283.755 2.546 50 50 CFGA C[N+]1(CCCCCBr)[C@H]2CC[C@H]1CC(O)C2 101053798 VMYDCYALPYLHCE-YKQCJFHZSA-N 291.253 2.684 50 50 CFGA O=C1OC(=O)[C@H]2[C@H]1[C@H]1CCCC[C@H]1[C@H]1CCCC[C@H]12 104288981 TXZFDXCATILDFU-QQOHENMQSA-N 262.349 2.929 50 50 CFGA Oc1cc(CBr)cc(C(F)(F)F)n1 238682559 MNPKWBVTRDWMQU-UHFFFAOYSA-N 256.021 2.701 50 50 CFGA N#C/C(=C(/N)Nc1ccccc1)c1nc2ccccc2[nH]1 170610658 NQPVVBGWCMLMHD-NTCAYCPXSA-N 275.315 2.826 50 50 CFGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccsc1 242184 CONOLWSHXZQCFE-SDBXPKJASA-N 286.356 2.809 50 50 CFGA CC(C)(C)OC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2 4576243 MZNAKNLNBSBMNL-UHFFFAOYSA-N 294.395 2.759 50 50 CFGA CN(C)C(C/C=N/OCc1ccc(F)cc1)=C(C#N)C#N 5524777 FHLCVOZUODHQBT-UFWORHAWSA-N 286.310 2.581 50 50 CFGA CN(NC(=O)[C@@H]1CCc2ccccc2O1)c1ccccc1 1611209841 RHDZSRQBNOSFJL-INIZCTEOSA-N 282.343 2.548 50 50 CFGA C/C(=N\NC(=O)c1n[nH]c2c1CCCC2)c1ccc(C)cc1 5353878 OZNIYSOIILXTCJ-LDADJPATSA-N 296.374 2.751 50 50 CFGA Cn1cccc1CC(=O)N/N=C/c1cccc2ccccc12 4935326 NSGQVIVECWCUAU-CPNJWEJPSA-N 291.354 2.871 50 50 CFGA CO[C@]1(C)OO[C@@](C)(O)C12[C@H]1CC[C@H]2c2ccccc21 247887512 SBLJMFQAJJHXCN-BYNSBNAKSA-N 276.332 2.681 50 50 CFGA CCOc1cc(/C=N/NC(=O)c2cccc(C)c2)ccc1O 485424 TYYMQFUYGCUQJF-WOJGMQOQSA-N 298.342 2.863 50 50 CFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1[C@@H]1CC=CCC1 115406 VCFQUELPHGNCFO-QMTHXVAHSA-N 270.332 2.690 50 50 CFGA COC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1cccs1 432437 GPNIZTLIMFZBCI-LLVKDONJSA-N 292.385 2.547 50 50 CFGA C[C@H](Cl)C(=O)NCCc1csc(C(C)(C)C)n1 1875378165 WQFCUYYVJBUOQG-QMMMGPOBSA-N 274.817 2.727 50 50 CFGA C[C@H](Cl)C(=O)NCc1coc(-c2ccccc2)n1 1875364181 JIQSCFQAAPFCHC-VIFPVBQESA-N 264.712 2.585 50 50 CFGA CCOC(=O)/C(C#N)=C\c1cc(OCC)ccc1OCC 42460 OZQHEKJWMBMSGW-LCYFTJDESA-N 289.331 2.954 50 50 CFGA O=C(CCl)n1cc(/C=C/[N+](=O)[O-])c2ccccc21 235486 IHYALQAMIXVONR-AATRIKPKSA-N 264.668 2.768 50 50 CFGA O=C(NCCc1c[nH]c2ccccc12)C(Cl)Cl 2866178 NFFWILZIPWTKHD-UHFFFAOYSA-N 271.147 2.630 50 50 CFGA N#CSc1ccc(Br)c([N+](=O)[O-])c1 34925597 SORSARZTWRMXNT-UHFFFAOYSA-N 259.084 2.930 50 50 CFGA CCc1ccc(NC(=O)[C@@H](C)Br)cc1 41706915 YTMDPJNHPCMSOS-MRVPVSSYSA-N 256.143 2.971 50 50 CFGA O=C(CCl)NCC(F)(F)c1cc(-c2ccccc2)[nH]n1 1875379833 XYGXOYLCAGDSLF-UHFFFAOYSA-N 299.708 2.524 50 50 CFGA Cc1c(Cl)cccc1C(=O)NNc1ccnc(F)c1 194848315 MQRRYEIZPHPULE-UHFFFAOYSA-N 279.702 2.939 50 50 CFGA CC1(C)CCCO[C@H]1CI 1536221839 IYUAJCBALZRXOA-ZETCQYMHSA-N 254.111 2.627 50 50 CFGA O=C(Cl)c1ccc2c(c1)C(=O)c1ccccc1C2=O 12953013 DGJNWQJOASAMHY-UHFFFAOYSA-N 270.671 2.841 50 50 CFGA N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccsc1 200599 NUYFOGNMWHRFDS-ZDUSSCGKSA-N 270.313 2.672 50 50 CFGA O=C(N/N=C\c1c[nH]c2ccccc12)c1cccs1 19301109 FMKAYIUNMIHSEK-SXGWCWSVSA-N 269.329 2.993 50 50 CFGA CC(=O)Nc1c(C)ccc(NC(=O)[C@H](F)Cl)c1C 2325897605 AKMZJSDABDHULD-NSHDSACASA-N 272.707 2.735 50 50 CFGA O=c1[nH]c(CCl)nc2sc3c(c12)CCCC3 316050 GDHMBNWVLWMONW-UHFFFAOYSA-N 254.742 2.602 50 50 CFGA O=C(N/N=C\c1ccc2c(c1)CCC2)c1ccccc1 31719656 QOPYMUWTUVPHJA-PDGQHHTCSA-N 264.328 2.939 50 50 CFGA CCCCCCCCCCOc1ccc(B(O)O)cc1 195881191 XXFRWPZGPNSDJA-UHFFFAOYSA-N 278.201 2.886 50 50 CFGA O=C(CCc1ccccc1)NNC(=S)Nc1ccccc1 122643 NZPYNDOQXYPPQD-UHFFFAOYSA-N 299.399 2.637 50 50 CFGA O=C(CN1CCCCCCC1)N/N=C/c1ccccc1F 4990921 ZEXLTDFPDRXTGC-LDADJPATSA-N 291.370 2.542 50 50 CFGA NC(=O)N/N=C/c1ccc(Oc2ccc(F)cc2)cc1 6785 MHUUDVZSPFRUSK-RQZCQDPDSA-N 273.267 2.620 50 50 CFGA in-vivo N#CC1=C(N2CCCCC2)c2cc3c(n2C1=O)CCCC3 1075925 ZPYOXTGXNWDWLA-UHFFFAOYSA-N 281.359 2.741 50 50 CFGA CC1(C)O[C@H](c2cccnc2)CN1C(=O)C(Cl)Cl 148385779 YYOLZWRUBUHMOR-VIFPVBQESA-N 289.162 2.521 50 50 CFGA C[C@@H](Cl)C(=O)NC(C)(C)c1ccc(F)cc1F 1875389767 KNMWWPOGGRYWBZ-SSDOTTSWSA-N 261.699 2.943 50 50 CFGA O=C(N/N=C/c1c[nH]c2ccccc12)c1ccccc1 42305 GPZLLYBQEWHEKL-WOJGMQOQSA-N 263.300 2.932 50 50 CFGA CC(=O)Nc1c(C)ccc(NC(=O)[C@@H](F)Cl)c1C 2325897604 AKMZJSDABDHULD-LLVKDONJSA-N 272.707 2.735 50 50 CFGA O=S1(=O)C[C@]23C=CC=C[C@@]2(CCCC3)[C@@H]1Cl 100969706 GPAIKHSCWSQBTK-IJLUTSLNSA-N 258.770 2.653 50 50 CFGA Cc1cc(NC(=O)[C@@H](C)Cl)cnc1OC(F)F 1875376185 OCLDQPXOOSSHGY-ZCFIWIBFSA-N 264.659 2.557 50 50 CFGA Fc1ccc(CBr)nc1Br 118657083 IAWRFFZLNNYPFZ-UHFFFAOYSA-N 268.911 2.878 50 50 CFGA Cc1ccc(C(=O)NNC2=CC(=O)CC(C)(C)C2)cc1 5543503 NZMBWTFIQPWJBU-UHFFFAOYSA-N 272.348 2.502 50 50 CFGA CC1(C)[C@H]2CC[C@]1(C)C1=C2[C@H]2C[C@H]1[C@H]1C(=O)OC(=O)[C@@H]21 257357360 NQXRZLYEVRMUNK-VDQWMALHSA-N 272.344 2.705 50 50 CFGA Cc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)cc1 2379991 TZQWANBRSTUSOU-UHFFFAOYSA-N 277.327 2.814 50 50 CFGA N#CC1=C(N)c2c(F)cccc2[C@]1(C#N)c1ccc(F)cc1 4002468 XEXFLTGXOLEYHZ-KRWDZBQOSA-N 293.276 2.981 50 50 CFGA Cc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1 298575 NHTUKZWHFKNJDS-SFQUDFHCSA-N 252.317 2.688 50 50 CFGA N#CCC(=O)OC(=O)Nc1cccc(Cl)c1Cl 101019056 JMKTZZIGTPLQIU-UHFFFAOYSA-N 273.075 2.982 50 50 CFGA C[C@H](Cl)C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 1875380422 OMRTVOPFHPTTCM-ZGKBOVNRSA-N 293.794 2.645 50 50 CFGA C[C@@H](Cl)C(=O)N1CCCN(C)c2cc(F)ccc21 1875363590 KZWUQIZEXSQCSR-SECBINFHSA-N 270.735 2.626 50 50 CFGA CCOC(=O)/C(C#N)=C(\C)c1ccc(OC)c(OC)c1 122182 VRVDGLSITMUIHU-ZRDIBKRKSA-N 275.304 2.564 50 50 CFGA O=C(Cc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 440426 SSYHGZXPSAYXLS-UHFFFAOYSA-N 257.245 2.743 50 50 CFGA FC(F)(F)C(CBr)CBr 100518942 IRARAEMEIJMJJN-UHFFFAOYSA-N 269.886 2.955 50 50 CFGA N#C/C(=C/C1CC1)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 294503605 JWJGVMDMRVUHSA-IBBDDHLBSA-N 266.344 2.766 50 50 CFGA C[C@H](Cl)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccn1 1875380134 GDSNBLAGPIUTCI-LOWVWBTDSA-N 266.772 2.536 50 50 CFGA O=C(N/N=C/c1ccncc1)c1ccc(-n2cccc2)cc1 1009092 PEBMLKPGDHBHBX-CPNJWEJPSA-N 290.326 2.636 50 50 CFGA N#Cc1cc([N+](=O)[O-])ccc1N1CCSSCC1 381328394 HSSRLWDEGQBZIP-UHFFFAOYSA-N 281.362 2.668 50 50 CFGA COc1cc(Br)ccc1NC(=O)CCl 147722107 PSYRNRJLLXXDST-UHFFFAOYSA-N 278.533 2.635 50 50 CFGA COc1cc([C@H](F)CNC(=O)CCl)ccc1Cl 1875368666 JGLZZJDUUBLJQD-SECBINFHSA-N 280.126 2.714 50 50 CFGA O=C(Cl)c1cc(Br)cc2c1OCC2 2563903 WGOAQNQGOZTVID-UHFFFAOYSA-N 261.502 2.763 50 50 CFGA ClC[C@H](Br)[C@H](Br)CCl 100369720 FPPZFTLHBVZMCA-ZXZARUISSA-N 284.806 2.991 50 50 CFGA O=C/C(=C\Nc1ccccn1)c1nc2ccccc2o1 33308192 GFXCWBFSVKWYQV-PKNBQFBNSA-N 265.272 2.875 50 50 CFGA CC[C@@H](Br)C(=O)N1CCOc2ccc(C)cc21 32919857 KEPSWUJICNXFDE-SNVBAGLBSA-N 298.180 2.894 50 50 CFGA C[C@H](Cl)C(=O)N[C@@H]1CCC[C@@H]1Oc1ccccc1F 1875376319 SFWWFFTZNJYPHX-NDMJEZRESA-N 285.746 2.869 50 50 CFGA C[C@@H](Cl)C(=O)NCC(C)(C)Oc1ccccc1 1875364960 ZJVBPHWUCMOZSI-SNVBAGLBSA-N 255.745 2.588 50 50 CFGA O=C(CCl)c1cc(F)c(Br)cc1O 306605385 PLCJPFLYJDZJSX-UHFFFAOYSA-N 267.481 2.715 50 50 CFGA COc1ccc2[nH]cc(CCNC(=O)OCCCl)c2c1 2027092 ZSGGKHYREWBQFB-UHFFFAOYSA-N 296.754 2.684 50 50 CFGA C[C@H]1CCc2c(sc(NC(=O)CCl)c2C#N)C1 3885312 LVZDTXOTROOIDQ-ZETCQYMHSA-N 268.769 2.922 50 50 CFGA O=C(CCCC[C@@H]1CCSS1)NCCn1cccn1 253398533 CEOZSSXKKKUYPU-GFCCVEGCSA-N 299.465 2.713 50 50 CFGA biogenic Cc1cc(Cl)ccc1NC(=O)CBr 58856172 MDWISFLENCYYSJ-UHFFFAOYSA-N 262.534 2.982 50 50 CFGA COc1ccc2c(c1)CCC[C@H](NC(=O)[C@@H](C)Cl)C2 1875370124 CCVXEXODWPZOOZ-MFKMUULPSA-N 281.783 2.686 50 50 CFGA CC(=C/c1ccccc1)/C=N/NC(=O)c1ccc(O)cc1O 2544198 SOIVZWOJRLLQPB-QBQLSDBTSA-N 296.326 2.917 50 50 CFGA CC[C@@H](Br)C(=O)Nc1ccccc1OC 9096059 CWSBSQMCZUTXON-MRVPVSSYSA-N 272.142 2.807 50 50 CFGA C[C@@H](Cl)C(=O)N1CCC[C@@]2(C1)OCc1ccccc12 1875369112 ZNOFOIRFZZMHQE-ABAIWWIYSA-N 279.767 2.662 50 50 CFGA N#C/C(=C\c1ccc(OCC(N)=O)cc1)c1ccccc1 306233 VPAQXGVPBGAGKD-XNTDXEJSSA-N 278.311 2.615 50 50 CFGA CC/C(=N\NC(=O)c1ccccn1)c1ccc(OC)cc1 5499161 LBGVHMZVPSMWDK-NBVRZTHBSA-N 283.331 2.634 50 50 CFGA CCCc1cc(C(=O)N/N=C/c2ccncc2)cs1 2736129 AJUCPGPBYHNPSV-CXUHLZMHSA-N 273.361 2.860 50 50 CFGA N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccccc1F 58432 FENCJBWLEILJBY-HNNXBMFYSA-N 281.290 2.626 50 50 CFGA COc1ccc(C(=O)N/N=C/c2ccccc2F)cc1 252635 NVYXBQFVKKUIOR-LICLKQGHSA-N 272.279 2.598 50 50 CFGA O=C(NN=C1CCCC1)c1cc(-c2ccccc2)[nH]n1 1252544 IABHZYFXUKMTDT-UHFFFAOYSA-N 268.320 2.737 50 50 CFGA CCCN1CCC(=NNC(=O)c2c[nH]c3ccccc23)CC1 55007655 KDWFPMRRONOVBN-UHFFFAOYSA-N 298.390 2.760 50 50 CFGA O=C1OC(=O)[C@@]23CCCC[C@@]12CCc1ccccc13 101092890 TYGUCZXHJGCPKQ-CVEARBPZSA-N 256.301 2.514 50 50 CFGA C[C@@H]1CC[C@H](NC(=O)CCl)Cc2ccccc21 1875368191 XYOUCMRXKUBXRA-PWSUYJOCSA-N 251.757 2.850 50 50 CFGA O=C(N/N=C/c1ccc(O)cc1O)c1ccccc1Cl 112748 AOHNMRQIIKVRPN-LZYBPNLTSA-N 290.706 2.515 50 50 CFGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccsc1 242186 CONOLWSHXZQCFE-AMIZOPFISA-N 286.356 2.809 50 50 CFGA Cc1cccc(Cl)c1CCCNC(=O)CCl 1875377293 BLSWZAWAXIXIHZ-UHFFFAOYSA-N 260.164 2.936 50 50 CFGA CN(C)c1ccc(/C=N/NC(=O)c2cccs2)cc1 259657 KVHSVRRYQRQTGT-XNTDXEJSSA-N 273.361 2.578 50 50 CFGA C[C@H]1C=C[C@@H](C)[C@@]23CCc4ccccc4[C@@]12C(=O)OC3=O 104310443 NKYDTFPGUPBBDS-FVEFGIFQSA-N 282.339 2.782 50 50 CFGA C[C@H](Cl)C(=O)Nc1ccc(N2CCCC2)cc1 1393208 KQRVTACYQSSZSL-JTQLQIEISA-N 252.745 2.853 50 50 CFGA BrCc1cnc(Br)s1 66331936 YYHRYECWWYONCH-UHFFFAOYSA-N 256.950 2.801 50 50 CFGA in-vitro CCc1cccc(NC(=O)[C@@H](C)Br)c1 45796291 MFWVJRQCUZAPHM-MRVPVSSYSA-N 256.143 2.971 50 50 CFGA CN(C)c1ccc(C(=O)NN=C2C[C@H]3CC[C@H]2C3)cc1 252347109 WSPOVTPLKHUSIO-AAEUAGOBSA-N 271.364 2.658 50 50 CFGA C[C@H](Cl)C(=O)NC[C@H]1C[C@]1(C)c1cccs1 1875364667 PSKXZJLEWJLBBO-SBMIAAHKSA-N 257.786 2.769 50 50 CFGA O=C(N/N=C/c1cc(Cl)ccc1O)c1ccc(O)cc1 255042 YEGJSEASBVRYIO-LZYBPNLTSA-N 290.706 2.515 50 50 CFGA NC(=O)N/N=C1\C[C@H]2CCCC[C@@H]2c2ccccc21 17161774 JOBXDIOTFVACCN-YPLHQEGJSA-N 257.337 2.737 50 50 CFGA Cc1cccc(C[C@H](SC#N)C(=O)OCCCl)c1 2973777 VQBDAIFSQFLEPG-LBPRGKRZSA-N 283.780 2.902 50 50 CFGA O=C(N/N=C/c1c[nH]c2ccccc12)[C@H]1CC12CCC2 4950193 WXGHELDDNAVUFK-HVOBPNNYSA-N 267.332 2.808 50 50 CFGA CN(C(=O)CCl)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 1875377762 MZRKITYNRFRLBL-STQMWFEESA-N 285.746 2.743 50 50 CFGA O=C=Nc1ccc(I)c(Cl)c1 163626340 OOGMUJMQNGSUQJ-UHFFFAOYSA-N 279.464 2.912 50 50 CFGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccsc1 242188 CONOLWSHXZQCFE-ISVAXAHUSA-N 286.356 2.809 50 50 CFGA CN(C)C(C/C=N/OCc1ccccc1F)=C(C#N)C#N 5524796 WSALCLGSSBYRPV-UFWORHAWSA-N 286.310 2.581 50 50 CFGA C[C@H](Cl)C(=O)N[C@H](c1ccnc(Cl)c1)C1CC1 1875378083 VLCWNJPTHRZKSX-CPCISQLKSA-N 273.163 2.930 50 50 CFGA CC[C@@H](NC(=O)CCl)[C@@H](O)c1ccc(Cl)cc1 1875379816 XQHFBEOIZXHTQZ-PWSUYJOCSA-N 276.163 2.507 50 50 CFGA I[C@H]1CC[C@H]2CCC[C@H]1O2 101043179 KDFURHOVIHNTGV-GJMOJQLCSA-N 252.095 2.522 50 50 CFGA CC(C)[C@H](NC(=O)CCl)c1ccc(F)c(C#N)c1 1875389906 LMSOWZPEYMJQFU-ZDUSSCGKSA-N 268.719 2.749 50 50 CFGA Cc1ccc(C)c(OCC(=O)N/N=C/c2ccccc2O)c1 566493 WFMLDELIJKBBOS-VCHYOVAHSA-N 298.342 2.538 50 50 CFGA Nc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1 299370 VVPKDYGYZKEGEW-RQZCQDPDSA-N 273.723 2.686 50 50 CFGA O=S(=O)(CCl)Cc1cccc(C(F)(F)F)c1 1721913 PBIGNZVNPUGUGQ-UHFFFAOYSA-N 272.675 2.817 50 50 CFGA O=C(CCl)NCCc1ccc(Cl)cc1Cl 3276876 NZTSGBWDNNYGNA-UHFFFAOYSA-N 266.555 2.891 50 50 CFGA CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)CCl 1875375448 CADYOJHHPFMGJD-MELADBBJSA-N 281.783 2.693 50 50 CFGA Cc1cc(C(C)(C)C)ccc1OCc1ccc(B(O)O)cc1 169903657 OPUGDQNAZFDADD-UHFFFAOYSA-N 298.191 2.551 50 50 CFGA in-vitro CCN(CC)c1ccc(/C=N/NC(=O)c2ccccn2)cc1 437676 HEHXSQYXUWZJIL-CPNJWEJPSA-N 296.374 2.692 50 50 CFGA COc1cccc(/C=C/C(=O)NC(C#N)=C(Cl)Cl)c1 1857800108 WEENYPBLDKQPOA-AATRIKPKSA-N 297.141 2.995 50 50 CFGA CCC[C@H]1[C@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 34954477 HKTRSZDHOCGAGO-JSGCOSHPSA-N 266.348 2.913 50 50 CFGA O=C(NN=C1CCCCC1)C(=O)Nc1cccc(Cl)c1 4611318 NCWQDOIWVCUOAM-UHFFFAOYSA-N 293.754 2.715 50 50 CFGA CCOC(=O)CCCCCI 28278538 LTWOHZNXCOUWKH-UHFFFAOYSA-N 270.110 2.545 50 50 CFGA C[C@H]1CN(C(=O)CCl)CC[C@@H](c2ccccc2)O1 1875367239 FKMBPRFKABRXAS-AAEUAGOBSA-N 267.756 2.604 50 50 CFGA N#C/C(=C\c1ccc(O)c(O)c1)C(=O)c1ccccc1 12352646 QBKFKKGORMOFFU-MDWZMJQESA-N 265.268 2.888 50 50 CFGA in-vivo OC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100003705 PHTYUJZVAWPHRZ-UHFFFAOYSA-N 293.326 2.930 50 50 CFGA CCCC[C@@H]1C[C@H]1C(=O)NNC(=O)Nc1ccccc1 2913607 PMMHXQHXGCAEMS-DGCLKSJQSA-N 275.352 2.666 50 50 CFGA NNC(=O)c1ccc(NCc2ccc(Cl)cc2)cc1 4108414 YSKUFOWKCCGUNM-UHFFFAOYSA-N 275.739 2.556 50 50 CFGA C[C@@H](Cl)C(=O)N[C@H](C)c1csc(C2CC2)n1 1875364067 HUIXUQCJWJTMBY-RNFRBKRXSA-N 258.774 2.825 50 50 CFGA C[Si](C)(C)Nc1ccnc(O[Si](C)(C)C)n1 169795010 IWEHUWMQLZFGLL-UHFFFAOYSA-N 255.470 2.937 50 50 CFGA in-vitro N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1[C@@H]1CC=CCC1 240024 KIEGMLPYAJDKNE-BMIGLBTASA-N 267.332 2.795 50 50 CFGA COC(=O)/C=C/c1ccc(OCCCCl)c(OC)c1 5670194 SMFXETUHPUKLBI-FNORWQNLSA-N 284.739 2.889 50 50 CFGA COc1ccc(/C=N/NC(=O)C2[C@@H]3CCCC[C@@H]23)cc1 100300377 NFBMOQRXFAPICQ-DPOBWDHUSA-N 272.348 2.582 50 50 CFGA CCC[C@@H]1[C@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 34954476 HKTRSZDHOCGAGO-GXTWGEPZSA-N 266.348 2.913 50 50 CFGA C[C@@H](Cc1ccc(Cl)s1)NC(=O)CCl 1875368051 LXTHQZUEJBTBIX-LURJTMIESA-N 252.166 2.688 50 50 CFGA CC(C)(C)OC(=O)N1CC[C@](F)(CBr)C1 95630136 OUGGBJCLSCFLRW-JTQLQIEISA-N 282.153 2.730 50 50 CFGA in-vitro N#C/C(=C\c1ccccc1)C(=O)Nc1nccs1 141129 MJIDWXYGAAMSEW-DHZHZOJOSA-N 255.302 2.689 50 50 CFGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccccn1 246808 HCNFUPQRYCSPBH-VCHYOVAHSA-N 278.315 2.635 50 50 CFGA N#CC1=C(N)Oc2cc(O)c(Cl)cc2[C@@H]1c1cccnc1 296389 XIPOXJOACUXSOU-AWEZNQCLSA-N 299.717 2.659 50 50 CFGA Cc1nc2sccn2c1C(=O)NN=C1CCCCC1 445141 IUDCEPHPBSPKRW-UHFFFAOYSA-N 276.365 2.754 50 50 CFGA O=C(N/N=C1\CCCc2ccccc21)[C@H](O)c1ccccc1 267222 TWQZWFXUEHGDSY-FDCFBWIESA-N 294.354 2.577 50 50 CFGA O=C(N/N=C/c1cnc2ccccc2n1)c1cccc(F)c1 355769 PYZIVZBFPOHZMI-VXLYETTFSA-N 294.289 2.533 50 50 CFGA O=C(NN=C1C2CC3CC(C2)CC1C3)c1cccnc1 290540 XBTPLUWPXZEXEC-UHFFFAOYSA-N 269.348 2.624 50 50 CFGA O=S(=O)(Cc1ccc(F)cc1)C(Cl)Cl 101037769 XOEBYLOZDZPGQB-UHFFFAOYSA-N 257.113 2.502 50 50 CFGA C/C(=N\NC(=O)Cc1cccs1)c1ccc(O)cc1 19849188 MATPTJXPJYJWMZ-XNTDXEJSSA-N 274.345 2.537 50 50 CFGA O=C(N/N=C/c1ccc(F)cc1)[C@@H]1[C@H]2CCCC[C@H]21 245227499 HLWMIIZDSPHJFV-VCPHLFOBSA-N 260.312 2.712 50 50 CFGA CCn1nccc1-c1ccc(S(=O)(=O)CCl)cc1 585133997 ZRDARWKDWIPOOP-UHFFFAOYSA-N 284.768 2.540 50 50 CFGA COc1ccc2c(c1)CCC[C@H](NC(=O)[C@H](C)Cl)C2 1875370122 CCVXEXODWPZOOZ-GWCFXTLKSA-N 281.783 2.686 50 50 CFGA O=C(NNc1ccccc1)[C@@H]1[C@@H]2[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]2[C@@H]5[C@H]41 584907719 XOBOZBKMUKCWKD-GWKIAGMKSA-N 280.371 2.524 50 50 CFGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NN)cc1 63736 YSBVKXXYINFPMC-UHFFFAOYSA-N 278.396 2.769 50 50 CFGA CSc1ccccc1C[C@@H](C)NC(=O)CCl 1875367736 JAZDICNHNWATRJ-SECBINFHSA-N 257.786 2.695 50 50 CFGA Cc1cc(C)nc(/C(C#N)=C\c2ccc(C(=O)O)cc2)n1 585145532 ZAZJEHDGERNYEX-ZSOIEALJSA-N 279.299 2.856 50 50 CFGA CC[C@H](Br)C(=O)N1C[C@@H](C)C[C@H](C)C1 34926250 POXJTHPOIZHMHG-GUBZILKMSA-N 262.191 2.664 50 50 CFGA COc1cccc(C(=O)C(F)(F)CBr)c1 1535639420 AWJSXMJKALAUIN-UHFFFAOYSA-N 279.080 2.908 50 50 CFGA O=C(N/N=C/C=C/c1ccccc1)[C@@H](O)c1ccccc1 2901831 NOWCZYYPCFYQTM-CAORZBPUSA-N 280.327 2.535 50 50 CFGA CC[C@@H](Br)C(=O)Nc1ccc(OC)cc1 266487 RDJQQRGZUVZLOQ-SNVBAGLBSA-N 272.142 2.807 50 50 CFGA C[C@@H](Cl)C(=O)Nc1ccc(N2CCCC2)cc1 1393209 KQRVTACYQSSZSL-SNVBAGLBSA-N 252.745 2.853 50 50 CFGA Cc1nc(-c2ccc(CNC(=O)[C@H](C)Cl)o2)cs1 1875363654 PLBKSBZEHIZVGT-ZETCQYMHSA-N 284.768 2.955 50 50 CFGA COC(=O)c1c(NC(=O)CCl)sc2c1CCCC2 248111 DNHJHAGGYDWGEO-UHFFFAOYSA-N 287.768 2.591 50 50 CFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccsc1 290502 ULGVBDCGDKSKFA-GFCCVEGCSA-N 272.329 2.563 50 50 CFGA NNC(=O)c1ccc(COc2ccccc2Cl)cc1 370164 WWQCNJYMQZGQDG-UHFFFAOYSA-N 276.723 2.523 50 50 CFGA C[C@H](Cl)C(=O)NC[C@H](O)c1cc2ccccc2s1 1875364624 ZXDJYJWULWEDSQ-WPRPVWTQSA-N 283.780 2.678 50 50 CFGA CC(C)(C)OC(=O)NCCCCBr 12953876 GKGFAEREWWZBKY-UHFFFAOYSA-N 252.152 2.686 50 50 CFGA in-vitro Cc1noc(C)c1-c1ccc(S(=O)(=O)CCl)cc1 585133986 UMHBCZPIJYAMOF-UHFFFAOYSA-N 285.752 2.928 50 50 CFGA CC1(C)OB(c2ccccc2OCCCl)OC1(C)C 169746595 FDKCFTPLRZJLHH-UHFFFAOYSA-N 282.576 2.603 50 50 CFGA in-vitro CCc1cc(CC)c(/C=C(\C#N)C(N)=O)c(CC)c1 245566 MRQVLSLFUVFEKJ-NTEUORMPSA-N 256.349 2.766 50 50 CFGA C/C(=N\NC(=O)c1ccccc1O)c1ccc(C)cc1 4550472 OQBQUJDMHCRBGO-SFQUDFHCSA-N 268.316 2.855 50 50 CFGA CC(=O)c1ccc(NC(=O)[C@H](C)Br)cc1 4567003 UEJSEPMXGKFSEI-ZETCQYMHSA-N 270.126 2.611 50 50 CFGA O=S1(=O)C[C@]23CC=CC[C@@]2(CCCC3)[C@H]1Cl 101042809 UYOHILFSRPWGMM-QJPTWQEYSA-N 260.786 2.877 50 50 CFGA N#CC(C#N)=C(C#N)Nc1cccc(C(F)(F)F)c1 2582191 NHPLAKMRDIMLGZ-UHFFFAOYSA-N 262.194 2.942 50 50 CFGA F[C@H]1C[C@H]2[C@H](Cl)[C@H]1NC2(C(F)(F)F)C(F)(F)F 245255031 DVWLACCWRDCQEN-FCAWWPLPSA-N 285.590 2.787 50 50 CFGA COCCN(Cc1cc(C)sc1C)C(=O)CCl 1875382046 OZYSWBNAGCVDHQ-UHFFFAOYSA-N 275.801 2.579 50 50 CFGA CC(C)COc1ccc(NC(=O)[C@@H](C)Cl)cn1 1875364106 DOWQNGHABZRFEJ-SECBINFHSA-N 256.733 2.682 50 50 CFGA CN(C)c1cccc(C(=O)N/N=C/c2cccs2)c1 372679 SFENKGOZHDAJKA-XNTDXEJSSA-N 273.361 2.578 50 50 CFGA O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)[C@H](F)Cl 1875362138 SNSBLHPKBZXGAN-LSJOCFKGSA-N 259.683 2.722 50 50 CFGA Cc1cc(N2CCCC2)ccc1/C=C(\C#N)C(N)=S 13571570 OFJYCICBOYHJSR-UKTHLTGXSA-N 271.389 2.788 50 50 CFGA O=C(c1ccccc1)[C@H](Cl)S(=O)(=O)c1ccccc1 196666442 SIHHNFVNKICLHI-CQSZACIVSA-N 294.759 2.908 50 50 CFGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccco1 231269 HFZNAGJOJKVXFQ-VGOFMYFVSA-N 293.666 2.605 50 50 CFGA COc1cccc(/C=N/NC(=O)CCc2ccccc2)c1 39260 JEDITGKOELFWHS-QGOAFFKASA-N 282.343 2.778 50 50 CFGA biogenic O=C(CCl)Nc1ccc(Br)cc1F 266604 CKJNGYRSKKRIRL-UHFFFAOYSA-N 266.497 2.766 50 50 CFGA biogenic COc1ccc(Br)c(C=C(C#N)C#N)c1O 395996 FBJTYYSTZQFLIZ-UHFFFAOYSA-N 279.093 2.594 50 50 CFGA COc1ccc2ccnc([C@H](C)NC(=O)CCl)c2c1 1875370044 ZKAOGUONXHHXEO-VIFPVBQESA-N 278.739 2.659 50 50 CFGA N#CC1(O)C(Cl)(Cl)CCCC1(Cl)Cl 100444834 QWNPFCSCWFDGRF-UHFFFAOYSA-N 262.951 2.773 50 50 CFGA CN(C)c1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)o1 227263151 RJTBTWJQVJQZGT-LXVRWRBHSA-N 289.379 2.622 50 50 CFGA Cc1cc(NC(=O)c2ccc(CCl)cc2)no1 166004 IONLKNVIDYSRPP-UHFFFAOYSA-N 250.685 2.974 50 50 CFGA C=CCOc1ccccc1/C=N/NC(=O)c1ccc(O)cc1 4366179 MHVQVQYTIZHIKG-LDADJPATSA-N 296.326 2.721 50 50 CFGA Cc1ccsc1/C=N/NC(=O)C1[C@@H]2CCCC[C@@H]12 100311095 CIDCBBWDNYLPKG-VTVUARRKSA-N 262.378 2.943 50 50 CFGA CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@@H](F)Cl 1875362270 YOBTYDRMZXROMN-SECBINFHSA-N 279.098 2.771 50 50 CFGA O=C(N/N=C/c1ccc2ccccc2c1)c1ccncc1 237973 MPYMKWZRJNZVNU-XDHOZWIPSA-N 275.311 2.999 50 50 CFGA O=C(CNc1cccc(Cl)c1)N/N=C/c1ccccc1 5680814 YLHGUVDVTOSURV-VCHYOVAHSA-N 287.750 2.902 50 50 CFGA CC[C@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(C)=O 17654966 RDJTWDKSYLLHRW-ZETCQYMHSA-N 282.252 2.942 50 50 CFGA endogenous,in-man CC(=O)N/N=C/c1ccccc1OCc1ccccc1F 459612 LYBUQGZFILSCHX-VCHYOVAHSA-N 286.306 2.875 50 50 CFGA C[C@]12C[C@H](Br)[C@@H](Br)C[C@]1(C)O2 101137756 ZQEYVDVWGJJBOA-XAMCCFCMSA-N 283.991 2.855 50 50 CFGA O=C1OC(=O)[C@@H]2[C@@H]3CCCC[C@@H]3[C@@H]3CCCC[C@H]3[C@@H]12 216330934 TXZFDXCATILDFU-KLVXDSBYSA-N 262.349 2.929 50 50 CFGA COc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 70917 JULYGUIJHXRQJF-HNNXBMFYSA-N 296.326 2.510 50 50 CFGA Cc1ccc(/C=N\NC(=O)CNc2ccccc2C)cc1 32593030 WWJNIVWWJBKIBY-ODLFYWEKSA-N 281.359 2.866 50 50 CFGA COc1ccc(Cl)cc1NC(=O)NNc1ccccn1 2167271 BMTWFCPVAHJLFB-UHFFFAOYSA-N 292.726 2.892 50 50 CFGA CCCCOC(=O)N/N=C/c1cc(C)ccc1O 2831355 PLKFJYIUIROOFM-NTEUORMPSA-N 250.298 2.561 50 50 CFGA CCCc1n[nH]c2c1[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2 32547854 HUELBXZTLCJZCA-ZDUSSCGKSA-N 298.321 2.719 50 50 CFGA CCOC(=O)/C(C#N)=C/c1ccc(OC)c(Cl)c1 6438890 JSERVOZFIJGGMZ-UXBLZVDNSA-N 265.696 2.819 50 50 CFGA N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1[C@H]1CC=CCC1 115365 WNWHKBUEMGBZFB-BONVTDFDSA-N 268.316 2.918 50 50 CFGA CCSC1=C(C#N)[C@H](c2ccccc2OC)CC(=O)N1 8973070 FOUQIOQNPRFJQK-NSHDSACASA-N 288.372 2.787 50 50 CFGA CC[C@H](Br)C(=O)N1CCc2ccccc2C1 32919825 LEMCOILBVNEORA-LBPRGKRZSA-N 282.181 2.745 50 50 CFGA COc1ccc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 4017620 PLQZKYYTCTWXGP-JQXMUZPYSA-N 294.354 2.949 50 50 CFGA O=C(NN=C1CCCCC1)c1cccc(N2CCCC2=O)c1 290911 BSLRLFWPQWSSKW-UHFFFAOYSA-N 299.374 2.863 50 50 CFGA O=c1[nH]c(CCl)nc2scc(-c3ccco3)c12 3888410 AJHFKTLABRFEBJ-UHFFFAOYSA-N 266.709 2.983 50 50 CFGA C/C(=N\NC(=O)Nc1ccccc1)c1ccc(O)cc1 4947969 PSNXQYNOFFQXNP-GZTJUZNOSA-N 269.304 2.938 50 50 CFGA CC[C@@H](Br)C(=O)Nc1ccc(F)cc1 32919685 DILDYQZQIHEIPY-SECBINFHSA-N 260.106 2.938 50 50 CFGA O=C(COc1ccc(Cl)cc1)N/N=C/c1cccs1 247367 URUMMBAFZRMRAI-OVCLIPMQSA-N 294.763 2.931 50 50 CFGA COc1ccc(NCC(=O)NN=C2CCCCC2)cc1 358235 BCIDQZUUDNJMLA-UHFFFAOYSA-N 275.352 2.543 50 50 CFGA C[C@H](CNC(=O)[C@@H](C)Cl)Oc1cccc(Cl)c1 1875364628 OYFSSWWSQWSMJD-RKDXNWHRSA-N 276.163 2.851 50 50 CFGA CCn1ncc(/C=N/NC(=O)/C(C)=C\c2ccccc2)c1C 230510122 MQKFRWJSAIIEDR-CGZFJWOTSA-N 296.374 2.765 50 50 CFGA O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccncc1 3585787 UNITXRAYZDCKIU-DJKKODMXSA-N 293.248 2.864 50 50 CFGA NNC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1 273206 FATOOLUXJUJUHM-UHFFFAOYSA-N 276.723 2.523 50 50 CFGA CC(C)=NN(c1ccccc1)P(=O)(N1CC1)N1CC1 100661609 DHYYRBMFKUQVIV-UHFFFAOYSA-N 278.296 2.628 50 50 CFGA CC(C)(C)OC(=O)N/N=C(\Cc1ccccc1)NC1CC1 66323350 BTZSQHAZYCFVND-UHFFFAOYSA-N 289.379 2.819 50 50 CFGA O=C(NNC(=O)[C@H]1C[C@@H]1c1ccccc1)Nc1ccccc1 283286 JUSNOMZKMFSVBU-CABCVRRESA-N 295.342 2.643 50 50 CFGA O=C(NNc1ccccn1)Nc1ccc(Cl)cc1 300880 OVVCINNDIQSTNK-UHFFFAOYSA-N 262.700 2.884 50 50 CFGA COc1ccccc1OCC(=O)N/N=C/c1ccc(C)cc1 510857 UDWOZUUCTWLTBH-WOJGMQOQSA-N 298.342 2.533 50 50 CFGA O=C(N/N=C/c1ccco1)c1ccc(Br)cc1 262528 AUVZJZNPQFHSRR-RIYZIHGNSA-N 293.120 2.806 50 50 CFGA O=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccc(F)cc1 221556 MADOWIHVMCLFJO-KEBDBYFISA-N 295.317 3.000 50 50 CFGA Cc1[nH]nc2c1[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 5125977 GPWYRDPTGJYJNL-GFCCVEGCSA-N 286.722 2.590 50 50 CFGA CS(=O)(=O)c1ccc(CBr)c(Cl)c1 154166 FQVJALWTFNYNBL-UHFFFAOYSA-N 283.574 2.638 50 50 CFGA in-vitro BrCc1cccc(Br)n1 21985600 LSRDTCMNGSMEEI-UHFFFAOYSA-N 250.921 2.739 50 50 CFGA in-vitro N#CC(C#N)=Cc1cccc(I)c1 297407 MGMFROLPGFJKIK-UHFFFAOYSA-N 280.068 2.722 50 50 CFGA O=C(NNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1)C1CC1 408519343 DANRHTCIMGEJPF-HUUCEWRRSA-N 286.375 2.518 50 50 CFGA CC(C)COC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2 5188520 WWYWTHILBDBFJR-LFYBBSHMSA-N 273.288 2.521 50 50 CFGA CCC(CC)Oc1ccc(-c2ccc(B(O)O)cc2)cc1 169904270 BXIFXXIJBZDWRA-UHFFFAOYSA-N 284.164 2.601 50 50 CFGA O=C(CSc1ccccn1)N/N=C/[C@H]1CC=CCC1 4117211 UMADZYUSZMMQFV-SEJMYLSOSA-N 275.377 2.632 50 50 CFGA C[C@@H](Br)C(=O)NCc1ccccc1Cl 41696284 PAYJCKFNXISWOI-SSDOTTSWSA-N 276.561 2.740 50 50 CFGA C[C@H](Cl)C(=O)N(C)Cc1nccn1Cc1ccccc1 1875364304 NMJHZJOUZUINPK-LBPRGKRZSA-N 291.782 2.517 50 50 CFGA O=C(N[C@@H]1[C@@H]2Cc3c(Cl)cccc3[C@@H]21)[C@H](F)Cl 2325897688 DQFLSCXFFWQKRC-DQDDRIPDSA-N 274.122 2.629 50 50 CFGA N#CC(C#N)=Cc1cc(=O)c(OCc2ccccc2)co1 2532458 AONLBRORLLPXBU-UHFFFAOYSA-N 278.267 2.649 50 50 CFGA Cc1ccc(-n2c(C)cc(/C=N/NC(N)=O)c2C)cc1C 447605 XNEBYCKXXSXXQT-GIJQJNRQSA-N 284.363 2.713 50 50 CFGA CC(C)(C)C(=O)C(C#N)=Cc1ccc2c(c1)OCO2 2040691027 GWIBXULMGOBDGK-UHFFFAOYSA-N 257.289 2.937 50 50 CFGA Cc1nn(C(C)(C)C)cc1C(=O)NNc1ccccc1 183703464 NWLIKEOGXOKZEL-UHFFFAOYSA-N 272.352 2.703 50 50 CFGA C[C@@H](Cl)C(=O)N[C@H](C)c1ccc(C#N)cc1F 1875378223 XUDNZXDFJQLGLU-HTQZYQBOSA-N 254.692 2.502 50 50 CFGA CCOc1ccc(C(=O)N/N=C(/C)c2ccco2)cc1 4119189 SESQIVZOQMBHPS-WJDWOHSUSA-N 272.304 2.832 50 50 CFGA CC(/C=N/NC(=O)[C@H](O)c1ccccc1)=C\c1ccccc1 2344411 XPZPQHGHORQYJB-ARNASPGCSA-N 294.354 2.926 50 50 CFGA N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccccc1 16677452 HFLAXZPMZOIMTA-RAXLEYEMSA-N 264.284 2.938 50 50 CFGA O=C(N/N=C\c1ccc[nH]1)c1cccc(Br)c1 32701411 PRVOGODONYSDRI-NVNXTCNLSA-N 292.136 2.541 50 50 CFGA C[C@@H](Cl)C(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 1875380228 IYPWVSWMSCGVSF-NJUACVTBSA-N 277.673 2.703 50 50 CFGA O=C(N/N=C/c1cccc(Cl)c1)c1ccc(O)cc1 288559 QEOQNUXERJFDPM-CXUHLZMHSA-N 274.707 2.810 50 50 CFGA CC(C)(C)OC(=O)N1CC[C@H](CBr)C1 12953889 NQNGQGISAMHLST-MRVPVSSYSA-N 264.163 2.638 50 50 CFGA in-vitro CC(C)[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 2030109 XYZKDCHIPYJMRU-GFCCVEGCSA-N 260.337 2.626 50 50 CFGA C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 4946697 TXUQQAKHIBBCNP-ZROIWOOFSA-N 289.316 2.810 50 50 CFGA CC[C@@H](Br)C(=O)NCCc1ccccc1 32919692 QTNRUXYLOPXKOU-LLVKDONJSA-N 270.170 2.519 50 50 CFGA Cc1cc(NC(=O)CCl)cnc1N1CCCC[C@H]1C 1327499141 MPUGMAMKLHTWQF-LLVKDONJSA-N 281.787 2.946 50 50 CFGA O=C(N/N=C/c1ccccc1C(F)(F)F)c1cccnc1 381407 DAABJQFUHQAUBD-DJKKODMXSA-N 293.248 2.864 50 50 CFGA Cc1cc(C)c(NC(=O)CBr)c(C)c1 41692741 MECHQRKLIKNLRO-UHFFFAOYSA-N 256.143 2.945 50 50 CFGA C[C@@H](Br)C(=O)Nc1ccc(F)cc1F 41676993 LBYJGXWJARKHGQ-RXMQYKEDSA-N 264.069 2.687 50 50 CFGA CC(C)COc1ccc(NC(=O)[C@H](C)Cl)cn1 1875364107 DOWQNGHABZRFEJ-VIFPVBQESA-N 256.733 2.682 50 50 CFGA O=C(N/N=C/c1ccc(O)cc1O)c1ccc(Cl)cc1 255064 VHWWKYDPEFTEEN-LZYBPNLTSA-N 290.706 2.515 50 50 CFGA Cc1nnsc1C(=O)N/N=C/c1ccc2ccccc2c1 5792608 GSWUOXMJWOVODZ-CXUHLZMHSA-N 296.355 2.764 50 50 CFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1 104263 HCKBOQXEKJNSSC-CQSZACIVSA-N 266.300 2.501 50 50 CFGA Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)CCl)cc1 1319682435 JGIBHQXQWUETFJ-HNNXBMFYSA-N 295.810 2.784 50 50 CFGA O=C(CCl)NCc1ccc(Oc2ccccc2)cn1 1875367802 OHAXXYQZGYAVAQ-UHFFFAOYSA-N 276.723 2.729 50 50 CFGA O=C(N/N=C/C=C/c1ccccc1)c1cc(C2CC2)n[nH]1 4135884 GWLCIEXXLRESPN-CUQLSPFUSA-N 280.331 2.716 50 50 CFGA CCOc1ccc(OCC)c(NC(=O)CCl)c1 5673334 GGIDHBFGJQYHGX-UHFFFAOYSA-N 257.717 2.661 50 50 CFGA Br[C@@H]1Cc2ccccc2[C@H]1[n+]1ccccc1 5583155 JZDAMAUODQVDFE-ZIAGYGMSSA-N 275.169 2.883 50 50 CFGA CS[C@H]1NC(=O)[C@H]1[C@@H](C)O[Si](C)(C)C(C)(C)C 169811430 FUAKCPWOVKGAFN-FXPVBKGRSA-N 275.490 2.832 50 50 CFGA C[C@H](Cc1c[nH]c2cc(F)c(F)cc12)NC(=O)CCl 1875367758 KKAJZWBBEVDCLZ-SSDOTTSWSA-N 286.709 2.732 50 50 CFGA CC(=O)Nc1ccc(Cl)cc1NC(=O)[C@H](F)Cl 1875362271 YOBTYDRMZXROMN-VIFPVBQESA-N 279.098 2.771 50 50 CFGA CCOC(=O)CCCCCC[C@@H](Br)[N+](=O)[O-] 101041712 OZWRJWCWZUTFLZ-VIFPVBQESA-N 296.161 2.888 50 50 CFGA COc1ccc(CNC(=O)CCl)c2sccc12 1875376677 FLKBHUBEUCKULN-UHFFFAOYSA-N 269.753 2.765 50 50 CFGA O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccccn1 381447 CLYCWYSUBBNCIC-YBFXNURJSA-N 291.310 2.704 50 50 CFGA Cc1cc(C(=O)N/N=C/c2cccc(Cl)c2Cl)[nH]n1 18115723 WZSRUSVACCGHGB-GIDUJCDVSA-N 297.145 2.789 50 50 CFGA N#CC1=C(N)SC(N)=C(C#N)C1c1cccc(Cl)c1 62985 JLTDIDNUWCTYJH-UHFFFAOYSA-N 288.763 2.558 50 50 CFGA CC1(C)[C@H]2CC[C@]1(C)C1=C2[C@H]2C[C@H]1[C@@H]1C(=O)OC(=O)[C@H]21 257357358 NQXRZLYEVRMUNK-FQSFXOQZSA-N 272.344 2.705 50 50 CFGA O=C(CCl)NCC1(c2ccccn2)CC2(CCC2)C1 1875374946 LCLLGPNFJOXNMN-UHFFFAOYSA-N 278.783 2.639 50 50 CFGA COc1cc2nc(C)sc2cc1NC(=O)CCl 1116434302 PSLGQVMVOQSJNR-UHFFFAOYSA-N 270.741 2.791 50 50 CFGA CC1(C)CC(=O)C2=C(C1)O[C@H](c1ccncc1)C(C#N)=C2N 4014912 VCUCNQUBAZWSOP-MRXNPFEDSA-N 295.342 2.532 50 50 CFGA CC[C@H](NC(=O)CCl)[C@@H](O)c1ccc(Cl)cc1 1875379815 XQHFBEOIZXHTQZ-JQWIXIFHSA-N 276.163 2.507 50 50 CFGA CC(C)(C)C(=O)/C(C#N)=C\c1ccc(C(=O)O)c(O)c1 1775985346 WHHACUBRXFAMKT-POHAHGRESA-N 273.288 2.613 50 50 CFGA Cc1ccccc1/C=N/NC(=O)c1ccccc1[N+](=O)[O-] 252839 AIUVRRPBEGRVPN-MHWRWJLKSA-N 283.287 2.667 50 50 CFGA C/C=C1/CN2CC[C@@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1ccccc14 245380266 VFUITWPFKLGEQA-ICYQSHOJSA-N 292.382 2.857 50 50 CFGA biogenic CC(/C=N/NC(=O)c1cc(C)n[nH]1)=C\c1ccccc1 17161698 YWPPLLUTDYJRGI-AIEDVMPDSA-N 268.320 2.537 50 50 CFGA N#C/C(=C\Nc1ccc(Cl)cc1F)C(N)=S 101152352 CXSJPBBJXCFNNY-AATRIKPKSA-N 255.705 2.585 50 50 CFGA C[C@@H](Cl)C(=O)NCCCc1c[nH]c2ccc(F)cc12 1875377230 AXXKHFQRNIDBDK-SECBINFHSA-N 282.746 2.983 50 50 CFGA O=C(CBr)Nc1nc2ccccc2s1 5740098 SBMXLANSMFCUQD-UHFFFAOYSA-N 271.139 2.630 50 50 CFGA Cc1ccc(C(=O)NNC(=S)Nc2ccccc2)cc1 1434640 GXNCUNATVQDLMN-UHFFFAOYSA-N 285.372 2.626 50 50 CFGA CCC[C@@H](C)Oc1ccc(-c2ccc(B(O)O)cc2)cc1 169903685 GHVDSTWRPUFXCV-CYBMUJFWSA-N 284.164 2.601 50 50 CFGA in-vitro Cc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C/c1ccco1 264617 VYFCTVJOEVZLJY-LICLKQGHSA-N 294.314 2.742 50 50 CFGA Oc1ccc(CBr)c(C(F)(F)F)n1 238714902 UGGVPCBACVKIPK-UHFFFAOYSA-N 256.021 2.701 50 50 CFGA COc1ccc(/C=N/NC(=O)Nc2ccccc2)c(OC)c1 294510 ATYRINXFIVCOTF-GZTJUZNOSA-N 299.330 2.859 50 50 CFGA CN(C)c1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1 298680 YGELAMVFVBMNPG-WOJGMQOQSA-N 285.322 2.656 50 50 CFGA Cc1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)o1 437539 LUJMFLBYDPDPPQ-CAOOACKPSA-N 267.288 2.833 50 50 CFGA O=C(N/N=C/c1ccc(O)cc1)c1c[nH]c2ccccc12 438043 AHEHPJRRWPVVQK-GIJQJNRQSA-N 279.299 2.637 50 50 CFGA C/C(=N\NC(=O)c1cccnc1)c1ccc(Cl)s1 5008039 OALRNWBXVZHPFB-OVCLIPMQSA-N 279.752 2.951 50 50 CFGA COc1cc(NC(=O)[C@H](C)Cl)c(OC)cc1Cl 19270933 VXFFIAHQMRPYBQ-LURJTMIESA-N 278.135 2.923 50 50 CFGA C/C(=N/NC(=O)c1ccc(O)cc1)c1ccc(C)cc1 4579192 MAPDIIKWCRQFGB-ATVHPVEESA-N 268.316 2.855 50 50 CFGA CCc1ccc(/C=N/NC(=O)c2cc(C(C)C)[nH]n2)cc1 5686773 UTEXLSMLHRXTBY-LICLKQGHSA-N 284.363 2.859 50 50 CFGA O=C(O)[C@H](Cl)Cc1cccc(C(F)(F)F)c1 2164041 LZOCCQPLIYSRCK-MRVPVSSYSA-N 252.619 2.940 50 50 CFGA CC(C)(C)OC(=O)NNC(=O)Nc1ccc(F)cc1F 2851027 PRYISFAHXZGZNH-UHFFFAOYSA-N 287.266 2.526 50 50 CFGA CCCC[C@H]1C[C@H]1C(=O)NNC(=O)[C@H]1C[C@H]1CCCC 22017282 DISACLKUQROZLM-LVEBTZEWSA-N 280.412 2.786 50 50 CFGA CSc1ccccc1C[C@H](C)NC(=O)CCl 1875367737 JAZDICNHNWATRJ-VIFPVBQESA-N 257.786 2.695 50 50 CFGA C[C@@H](O)CN(Cc1cc2ccccc2s1)C(=O)CCl 1875381849 JHODWWJZUIKJRB-SNVBAGLBSA-N 297.807 2.850 50 50 CFGA C[C@H](Cl)C(=O)N1CC2(CC(OCc3ccccc3)C2)C1 1875370117 BZQNANRVEJICDU-LBPRGKRZSA-N 293.794 2.822 50 50 CFGA O=C(Br)C(F)(F)C(F)(F)C(F)(F)F 4348145 PJYLUIOQPJDGIG-UHFFFAOYSA-N 276.933 2.741 50 50 CFGA BrCc1csc(Br)n1 72233174 PUUHOIJJZAGFNK-UHFFFAOYSA-N 256.950 2.801 50 50 CFGA CC[C@H](Br)C(=O)NCc1ccc(F)cc1 32919909 XIYNKXFUIQOADN-JTQLQIEISA-N 274.133 2.615 50 50 CFGA O=C(CCl)N1CCCc2c(F)ccc(Cl)c21 1875378009 TWFFXZJCSWQMMO-UHFFFAOYSA-N 262.111 2.997 50 50 CFGA CC(/C=C/c1ccccc1)=N\NC(=O)c1cccnc1 12343252 LGLGJDICTDPMRW-BXCLKCLZSA-N 265.316 2.901 50 50 CFGA O=C(CCl)Nc1ccccc1OC(F)(F)F 19273938 WGCDYTVQLQPQSV-UHFFFAOYSA-N 253.607 2.763 50 50 CFGA CCOC(=O)/C(C#N)=C1/C=Cc2ccccc2N1CC 100206681 XAJKDFPMPPTAMD-SQFISAMPSA-N 268.316 2.880 50 50 CFGA CCCCCc1ccc(-c2ccc(B(O)O)cc2)cc1 169745169 QRZCEXCQSFQDMG-UHFFFAOYSA-N 268.165 2.766 50 50 CFGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(F)cc1 240747 XUMLBLRJFCHHSR-VFZGTOFNSA-N 298.317 2.886 50 50 CFGA CN1CCC(=NNC(=O)c2ccc(C(C)(C)C)cc2)CC1 55007636 MWTKOJLECIHUJR-UHFFFAOYSA-N 287.407 2.796 50 50 CFGA CC[C@@H](Br)C(=O)Nc1cccc(OC)c1 45796269 PNXMUVDPEHHRLV-SNVBAGLBSA-N 272.142 2.807 50 50 CFGA BrCc1nc(Br)cs1 91303949 FSYGAHNNOFHTHA-UHFFFAOYSA-N 256.950 2.801 50 50 CFGA C[C@H](Cl)C(=O)N1CC(CC(F)F)(C2CC2)C1 1875370624 WIVWIUBZZMVBAU-ZETCQYMHSA-N 251.704 2.508 50 50 CFGA O=C(CCl)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1 1875375243 WGZUCWMPVQBTMZ-GWCFXTLKSA-N 264.756 2.853 50 50 CFGA O=C(Nc1nc2ccccc2s1)[C@@H](F)CCl 2027832 CIDXADJNBZAOMW-LURJTMIESA-N 258.705 2.812 50 50 CFGA CCCCCCCC(=O)NNC(=O)c1cccs1 2779713 IIWYIVHCKQEPLY-UHFFFAOYSA-N 268.382 2.870 50 50 CFGA C[C@@H](NC(=O)CCl)c1ccc(-c2cncnc2)cc1 1875364148 FREUDYYJGJFITI-SNVBAGLBSA-N 275.739 2.560 50 50 CFGA C[C@H](Cl)C(=O)N(Cc1cnn(C)c1)c1ccc(F)cc1 1875366940 BACXLKPHRBIJOV-JTQLQIEISA-N 295.745 2.720 50 50 CFGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cnccn1 228554 XIEXXBJDAMXSQU-UBKPWBPPSA-N 295.129 2.547 50 50 CFGA COc1cccc(C2C(C#N)=C(C)NC(C)=C2C#N)c1OC 406048 OEOGANIVVDFVQL-UHFFFAOYSA-N 295.342 2.986 50 50 CFGA COc1ccc(C2C(C#N)=C(C)NC(C)=C2C#N)cc1OC 20458952 IUCSKAIFBYJTHT-UHFFFAOYSA-N 295.342 2.986 50 50 CFGA COc1ccc(C=NNC(=O)c2cccs2)cc1OC 254489113 RPXLVZRELIIZDL-UHFFFAOYSA-N 290.344 2.529 50 50 CFGA COc1ccc(C(=O)N/N=C2/CCC[C@@H](C)C2)cc1 4977540 BLTYFMJFUKWDRH-KDUNNAQNSA-N 260.337 2.991 50 50 CFGA C[C@H]1C=CC[C@@]23CCc4ccccc4[C@@]12C(=O)OC3=O 101139520 MOHSPUUHSWDPSV-MZPVMMEZSA-N 268.312 2.536 50 50 CFGA O=C(CBr)NCc1ccc(C(F)(F)F)cc1 82511145 PMBLWFQYQPOXHG-UHFFFAOYSA-N 296.086 2.717 50 50 CFGA Cc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)o1 373584 CKAGFUNUTOEQFH-NTEUORMPSA-N 273.313 2.926 50 50 CFGA C[C@H](Cl)C(=O)Nc1cc(C(F)(F)F)ccn1 2325903742 UXXDMTAQUUMJCS-YFKPBYRVSA-N 252.623 2.666 50 50 CFGA CC1(C)CC(=O)C/C(=N/NC(=O)c2ccccc2)C1 100202311 NMVYISXDHPKQDG-VBKFSLOCSA-N 258.321 2.552 50 50 CFGA COc1cccc(/C=N\NC(=O)CNc2ccccc2C)c1 32603909 LXQBJPADXRMAOS-ODLFYWEKSA-N 297.358 2.566 50 50 CFGA O=C(N/N=C/c1cccc2ccccc12)c1ccncc1 61322 UAEGGEREJXLIBW-XDHOZWIPSA-N 275.311 2.999 50 50 CFGA Cc1ccccc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2 240931 ROKPUAXQRPPEIH-HNNXBMFYSA-N 280.327 2.810 50 50 CFGA O=C(N/N=C\N1CCCc2ccccc21)c1ccccc1 35946684 GUHLNIYNBHZWOZ-AQTBWJFISA-N 279.343 2.813 50 50 CFGA Cc1cc(F)ccc1NC(=O)[C@@H](C)Br 235087142 BNSXEHQSGMTSJZ-SSDOTTSWSA-N 260.106 2.856 50 50 CFGA Cc1cc(C)c(C=NNC(=O)c2cccnc2)c(C)c1 254383756 KBDWDZWEGGWBHC-UHFFFAOYSA-N 267.332 2.771 50 50 CFGA O=C(CCl)NCc1ccnc(-c2ccccc2)c1 1875374758 DHPZZJWXQNREAL-UHFFFAOYSA-N 260.724 2.604 50 50 CFGA O=C(N/N=C\c1cccc(Cl)c1Cl)c1cnccn1 13894703 TWMCVFQRWIEAHV-FMQZQXMHSA-N 295.129 2.547 50 50 CFGA CC[C@H]1[C@@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 34954471 VTUSSDFWHHKMGK-YPMHNXCESA-N 252.321 2.523 50 50 CFGA C=CCN(C(=O)[C@@H](C)Br)c1ccccc1 45796288 PSNMYTKUAKRLJM-SNVBAGLBSA-N 268.154 2.989 50 50 CFGA COc1ccc(C(=O)Cl)cc1-c1noc(CCl)n1 34924973 LEQPVJXSRHXFNP-UHFFFAOYSA-N 287.102 2.863 50 50 CFGA CN(C)c1ccc(/C=C/C=C(/C#N)C(N)=S)cc1 685944526 KVUBQOZYIUYALN-UBXZVMTISA-N 257.362 2.502 50 50 CFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 43657 FUELDWXQHLFVSS-AWEZNQCLSA-N 284.290 2.640 50 50 CFGA O=C(CCn1cnc2ccccc21)N/N=C/c1cccs1 551388 QEXYLFZSYSLLLX-LICLKQGHSA-N 298.371 2.638 50 50 CFGA CC(C)(C)C(=O)C(C#N)=Cc1ccc(C(=O)O)cc1 2040751262 UNFIZODTIUWKKQ-UHFFFAOYSA-N 257.289 2.907 50 50 CFGA C[C@]1(c2ccc3c(c2)OCO3)O[C@H](CCl)CS1 1766751 DWLXQAAZOXWLKI-SKDRFNHKSA-N 272.753 2.959 50 50 CFGA O=C(NNc1ccc(Br)cn1)c1ccccc1 216625508 NIZXQLGUYOMZGH-UHFFFAOYSA-N 292.136 2.601 50 50 CFGA CCCc1n[nH]c2c1[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2 32547852 HUELBXZTLCJZCA-CYBMUJFWSA-N 298.321 2.719 50 50 CFGA CCc1cc(C(=O)N/N=C/c2ccc(C)o2)cs1 2749651 RPMPXXKSOXERAJ-VGOFMYFVSA-N 262.334 2.976 50 50 CFGA Cc1cc(N(C)C)ccc1NC(=O)/C(C#N)=C\C1CC1 278552998 GUYOUTAMKFWAQM-LCYFTJDESA-N 269.348 2.860 50 50 CFGA CCN(CCNC(=O)[C@H](C)Cl)c1cccc(C)c1 1875363933 DQECRZSOEILYRS-LBPRGKRZSA-N 268.788 2.565 50 50 CFGA O=C(N/N=C/c1ccc(F)cc1)c1ccc(Cl)cc1O 273639 LIOFDWLARTYAIJ-CAOOACKPSA-N 292.697 2.949 50 50 CFGA CCC1(CN(Cc2ccon2)C(=O)CCl)CCC1 1875374311 JUBOCPDBURQGFH-UHFFFAOYSA-N 270.760 2.822 50 50 CFGA Cc1occc1C(=O)N/N=C/C=C/c1ccccc1[N+](=O)[O-] 2702423 SFYMFDYYDBPCPJ-VRXKGJCKSA-N 299.286 2.925 50 50 CFGA COc1ccc2c(c1)CCCN(C(=O)[C@H](C)Cl)C2 1875363488 DUQVZEIFFKWSCM-JTQLQIEISA-N 267.756 2.597 50 50 CFGA C/C(=N\NC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 12343231 GDFZLMPTXIVTCE-LFIBNONCSA-N 283.287 2.749 50 50 CFGA COc1ccc(/C=N\NC(=O)COc2cccc(C)c2)cc1 32649977 PSUBAHMLHQBHRA-WQRHYEAKSA-N 298.342 2.533 50 50 CFGA CC(=O)N[C@H](O)C(Cl)(Cl)[C@H](Cl)c1ccccc1 219726 DORJKYGYXJDYKI-NXEZZACHSA-N 296.581 2.595 50 50 CFGA Nc1ccccc1C(=O)N/N=C/c1c[nH]c2ccccc12 298919 ZDBJWSCATHPDAX-VXLYETTFSA-N 278.315 2.514 50 50 CFGA Cc1ccccc1NCC(=O)N/N=C\c1ccc(F)cc1 32606238 VJIPCLAUDCFJSP-GRSHGNNSSA-N 285.322 2.696 50 50 CFGA CC[C@H](Br)C(=O)Nc1ccc([N+](=O)[O-])cc1 5673910 ZEDNZSRZTUPWGL-VIFPVBQESA-N 287.113 2.707 50 50 CFGA O=C(NNC(=O)c1cccc(Cl)c1)Nc1ccccc1 293471 XABCIHVCTFAUHZ-UHFFFAOYSA-N 289.722 2.807 50 50 CFGA CCC(CC)[C@H](CNC(=O)[C@H](C)Cl)N1CCCC1 1875364094 DKTIRSYLHLQYCY-AAEUAGOBSA-N 274.836 2.631 50 50 CFGA Cc1cc(C=C2CCN(C(=O)[C@H](C)Cl)CC2)no1 1875364408 MEHCCMPNLREXPB-JTQLQIEISA-N 268.744 2.616 50 50 CFGA O=C(CCl)N1CCCCc2ccc([N+](=O)[O-])cc21 1875374991 MZRVBFYNZSPGLT-UHFFFAOYSA-N 268.700 2.503 50 50 CFGA O=C(N/N=C/c1ccc([N+](=O)[O-])s1)Nc1ccccc1 282426 WXPFTJOLCQSETC-MDWZMJQESA-N 290.304 2.812 50 50 CFGA Cc1ccc(-c2ccc(/C=C(\C#N)C(N)=O)o2)cc1[N+](=O)[O-] 442025 WBSCLBRZPIMWLU-IZZDOVSWSA-N 297.270 2.556 50 50 CFGA CC(=O)Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(C)(C)C 2504526 BMJYKXALMDAIEG-UHFFFAOYSA-N 282.252 2.726 50 50 CFGA in-vitro Fc1nc(F)c(F)c(N2CCSSCC2)c1F 310464416 GEUABBVZUQMBQR-UHFFFAOYSA-N 284.303 2.839 50 50 CFGA Cc1ccc(F)cc1NC(=O)[C@@H](C)Br 235081995 VYTOWXKPSRXWHR-SSDOTTSWSA-N 260.106 2.856 50 50 CFGA C[C@@H](Cl)C(=O)N1CCc2ccc(OC(F)F)cc2C1 1875363930 DQCJFDGPVAVXPL-MRVPVSSYSA-N 289.709 2.800 50 50 CFGA CCOC(=O)CP(=O)(c1ccccc1)c1ccccc1 301428 WYOVIIWQEUXLET-UHFFFAOYSA-N 288.283 2.564 50 50 CFGA O=C(OCc1ccccc1)C1CC(Br)C1 575442711 LFXXGRRGCHPCLT-UHFFFAOYSA-N 269.138 2.903 50 50 CFGA N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)O 163248 AUGNMCXVCRYQIO-JXMROGBWSA-N 284.227 2.846 50 50 CFGA COc1ccccc1/C=N/NC(=O)[C@@H](OC)c1ccccc1 436852 KJDHIXGMFKNIBR-IQFISFIMSA-N 298.342 2.533 50 50 CFGA O=C(N/N=C/[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1C[C@H]2CC[C@H]1C2 101787714 SETCSWXEUHFLEF-RRJHWXPYSA-N 260.381 2.961 50 50 CFGA O=C(OC(=O)c1ccc(F)cc1)c1ccc(F)cc1 95676406 BBLXFRIGTQYGOT-UHFFFAOYSA-N 262.211 2.962 50 50 CFGA in-vitro O=C1OC(=O)c2cc(Br)cc3cccc1c23 100028718 LYXFXCSFCWZGNZ-UHFFFAOYSA-N 277.073 2.913 50 50 CFGA in-vitro Cc1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c(C)o1 228316 PZKWFSZIEKIXOV-OVCLIPMQSA-N 287.275 2.569 50 50 CFGA O=C(O)C[C@H](Br)c1cccc([N+](=O)[O-])c1 1712636 DEKRYHWYJDKPOF-QMMMGPOBSA-N 274.070 2.506 50 50 CFGA Cc1ccn2c(C(=O)N/N=C\c3cccs3)c(C)nc2c1 5044821 VZZUVBBCDDRMGD-SXGWCWSVSA-N 298.371 2.777 50 50 CFGA CC(Cl)(Cl)C(=O)N[C@H]1CCCC[C@@H]1Cl 5379353 RWXNHNFHOFTRCJ-BQBZGAKWSA-N 258.576 2.846 50 50 CFGA CCCOc1ccc(CNC(=O)CCCl)cc1 2565447 JVEBLFYMCGKSIK-UHFFFAOYSA-N 255.745 2.721 50 50 CFGA O=C1c2cnn(-c3ccccc3)c2CC[C@H]1Br 105894 MIYPPKAYULSMQS-LLVKDONJSA-N 291.148 2.765 50 50 CFGA CCOC(=O)/C(C#N)=C/c1ccc(N(C)CCC#N)cc1 1745568 PLKIDGIOFRFBAV-SDNWHVSQSA-N 283.331 2.507 50 50 CFGA Cc1cc(Cl)ccc1OCc1cccc(C(=O)NN)c1 4294113 SZWFWGCQNBTZKE-UHFFFAOYSA-N 290.750 2.831 50 50 CFGA C[C@@H](Cl)C(=O)N1CC2(C1)CC(C#N)(c1ccccc1)C2 1875376435 WQZKHXKZLZCVAY-GFCCVEGCSA-N 288.778 2.698 50 50 CFGA CCN(Cc1cccc2[nH]ccc12)C(=O)CCl 1875378942 LFUMZZJKAFKTII-UHFFFAOYSA-N 250.729 2.755 50 50 CFGA CN(C)c1ccc(/C=C(/C#N)S(=O)(=O)C(C)(C)C)cc1 5284116 HTNSZDDYEJYYLA-UVTDQMKNSA-N 292.404 2.830 50 50 CFGA FC(F)(F)[C@@H](I)CCl 95682168 VTXHEMNTBOVTHP-REOHCLBHSA-N 258.408 2.591 50 50 CFGA in-vitro CCCc1noc(-c2cccc(CNC(=O)CCl)c2)n1 1875363907 DEQZUFYJDWNBDE-UHFFFAOYSA-N 293.754 2.544 50 50 CFGA COc1ccc(C(=O)N/N=C/c2cccs2)cc1OC 249419 NAOUWXNPGVDWJO-OQLLNIDSSA-N 290.344 2.529 50 50 CFGA N#C/C(=C\c1ccc2c(c1)OCO2)c1ccccn1 4347848 VHZHAZBQJIRKCJ-KPKJPENVSA-N 250.257 2.874 50 50 CFGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccs1 242051 MXQTZVCPHTVGKL-ISVAXAHUSA-N 286.356 2.809 50 50 CFGA CCC(CC)[C@H](CNC(=O)[C@@H](C)Cl)N1CCCC1 1875364099 DKTIRSYLHLQYCY-YPMHNXCESA-N 274.836 2.631 50 50 CFGA Br[C@H]1Cc2ccccc2[C@H]1[n+]1ccccc1 5583153 JZDAMAUODQVDFE-UONOGXRCSA-N 275.169 2.883 50 50 CFGA O=C(N/N=C/C=C/c1ccccc1)c1ccc(O)cc1 3525603 UOQAZBRVQLQPSG-FZHIPVGDSA-N 266.300 2.821 50 50 CFGA CCOC(OCC)(OCC)[C@H](C)Br 161515 GMWXMYZMODXKMM-QMMMGPOBSA-N 255.152 2.533 50 50 CFGA CC1=C(C#N)C(c2ccncc2F)C(C#N)=C(C)N1 25694731 HLVSBMWFCINXFX-UHFFFAOYSA-N 254.268 2.503 50 50 CFGA O=C(CCl)Nc1c(F)c(F)c(F)c(F)c1F 2149724 IWEYBJZNQNRFSW-UHFFFAOYSA-N 259.561 2.559 50 50 CFGA O=C(CCl)N1CCOc2cccc(-c3cccnc3)c21 1875387011 JIEZYBMDQBSWIL-UHFFFAOYSA-N 288.734 2.713 50 50 CFGA C[C@@H](Cl)C(=O)N[C@@H]1CCC[C@@H]1Oc1ccccc1F 1875376320 SFWWFFTZNJYPHX-XWIASGKRSA-N 285.746 2.869 50 50 CFGA C/C(=N\NC(=O)COc1cccc(C)c1)c1ccco1 4656538 GXNRDBSRNAMEEK-FOWTUZBSSA-N 272.304 2.507 50 50 CFGA Cc1ccc(OCC(=O)N/N=C\c2ccc(C)cc2O)cc1 55421583 IJURWNTYCRVSDJ-ZDLGFXPLSA-N 298.342 2.538 50 50 CFGA O=C(N/N=C/c1cccc(Br)c1)c1ccco1 2796093 NIANEQCIOLRIRH-RIYZIHGNSA-N 293.120 2.806 50 50 CFGA CCCc1n[nH]c2c1[C@@H](c1ccccc1C)C(C#N)=C(N)O2 619816 LZXQMZZYESOQKG-AWEZNQCLSA-N 294.358 2.889 50 50 CFGA O=C(O)CCP(c1ccccc1)c1ccccc1 3099499 OTSIFUHGOBFOTH-UHFFFAOYSA-N 258.257 2.594 50 50 CFGA Cc1ccc(/C=N/NC(=O)Cc2cc3ccccc3[nH]2)o1 23549874 FHFYUHMHQZTAOF-LICLKQGHSA-N 281.315 2.762 50 50 CFGA NC(=O)c1ccccc1NC(=O)[C@@H](Cl)c1ccccc1 35411850 LEXDKBKPPGTZJE-ZDUSSCGKSA-N 288.734 2.704 50 50 CFGA O=C(CCl)c1c[nH]c2ncc(Br)cc12 149550392 MNXYXGITZQLUFG-UHFFFAOYSA-N 273.517 2.747 50 50 CFGA Br[C@@H]1CC[C@@H]2O[C@@H]2CC[C@H]1Br 257346417 FDVJISGFGLBDFP-XUTVFYLZSA-N 283.991 2.855 50 50 CFGA CCc1cccc(C)c1NC(=O)CBr 5717521 KVYFCESVBQNMFM-UHFFFAOYSA-N 256.143 2.891 50 50 CFGA CCCCCCCCCC[C@H](CCO)C(=O)NN 100328124 ANSYTRFIPSHDDN-CYBMUJFWSA-N 258.406 2.506 50 50 CFGA C[C@H](Cl)C(=O)N[C@H](Cc1ccccc1)c1ncco1 1875380289 KVLJMHUFDBLCKR-CMPLNLGQSA-N 278.739 2.702 50 50 CFGA CCn1c(=NNC(=O)c2ccccc2)ccc2ccccc21 367808790 PETFEIWSNRLNNR-UHFFFAOYSA-N 291.354 2.907 50 50 CFGA C[C@@H](Cl)C(=O)N1CCCO[C@H](c2ccccc2)C1 1875364836 VIEPKFLSXZIAHD-YPMHNXCESA-N 267.756 2.604 50 50 CFGA C[C@@H](NC(=O)CCl)c1cc(F)cc(Cl)c1 1875387080 NBYHXZHPJRULHZ-ZCFIWIBFSA-N 250.100 2.895 50 50 CFGA C[C@@](Cc1ccccc1)(NC(=O)CCl)C1CC1 1875374836 GWYUQOBHWFLBGL-AWEZNQCLSA-N 251.757 2.753 50 50 CFGA COCC(=O)N1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1 585088360 XNRKIYPCEVRAEN-LBPRGKRZSA-N 287.476 2.646 50 50 CFGA COc1ccc(/C=N/NC(=O)c2cccs2)cc1OC 138928 RPXLVZRELIIZDL-OQLLNIDSSA-N 290.344 2.529 50 50 CFGA CC(C)(C)c1ccc(/C=N/NC(=O)c2cnccn2)cc1 228519 ANFRBVUSEJIHJM-VXLYETTFSA-N 282.347 2.538 50 50 CFGA O=C(O)c1ccccc1C(=O)NNc1ccc(Cl)cc1 2569416 KXQHIZGCDPQHSO-UHFFFAOYSA-N 290.706 2.795 50 50 CFGA CC[C@@H](Oc1ccc([N+](=O)[O-])c(C)c1)C(=O)Cl 40451361 IVIRHVSZZCHVNV-SNVBAGLBSA-N 257.673 2.826 50 50 CFGA CCCC[C@H]1C[C@@H]1C(=O)NNC(=O)[C@H]1C[C@H]1CCCC 244594225 DISACLKUQROZLM-CRWXNKLISA-N 280.412 2.786 50 50 CFGA C[C@@H](Cl)C(=O)N1CCCO[C@@H](c2ccccc2)C1 1875364834 VIEPKFLSXZIAHD-DGCLKSJQSA-N 267.756 2.604 50 50 CFGA CCCCOC(=O)/C(C#N)=C/c1ccc2nc(O)[nH]c2c1 585136063 OOESBSHPNZPHBI-YRNVUSSQSA-N 285.303 2.519 50 50 CFGA O=C(CCl)NCc1ccc(-n2ccc(C3CC3)n2)cc1 1875377937 RQBZJBUCKKAAHJ-UHFFFAOYSA-N 289.766 2.605 50 50 CFGA C=C(C)[C@@H](NC(=O)CCl)c1ccc(F)c(F)c1 1875378128 WDGFPQIBOAEYJB-GFCCVEGCSA-N 259.683 2.937 50 50 CFGA O=C1OC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 101010951 NXMGMVOZNAQZEE-CQSZACIVSA-N 267.284 2.907 50 50 CFGA COc1ccc(C(=O)O)c(OC(F)(F)[C@H](F)Cl)c1 2170584 HMGQYOFKTWJLKK-VIFPVBQESA-N 284.617 2.899 50 50 CFGA COc1ccccc1C(=O)N/N=C/c1ccc(C)cc1 3086008 PIWYFMKYXAUXKB-GZTJUZNOSA-N 268.316 2.768 50 50 CFGA CC[C@H](Br)C(=O)NCc1cccs1 32919956 MURYBZRJIPCWEW-QMMMGPOBSA-N 262.172 2.538 50 50 CFGA BrC[C@H]1CSc2nnc(-c3ccccc3)n21 12505665 SEKDFIBRGOFXDZ-VIFPVBQESA-N 296.193 2.987 50 50 CFGA C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(F)cc1 4948943 OBUWEIRBRDQNDL-LICLKQGHSA-N 272.279 2.685 50 50 CFGA Br[C@@H]1[C@H]2C[C@H]3[C@H]1[N@@+]3(Cc1ccccc1)C2 255004277 XHYJGHLAIHMIPV-WHPHWUKISA-N 265.174 2.551 50 50 CFGA CCCCN(C(=O)CCl)[C@@H]1CCc2ncsc2C1 1875374988 MYQQUNVRLVKQCB-SNVBAGLBSA-N 286.828 2.868 50 50 CFGA N#C/C(=C/c1ccc(O)cc1)C(=O)NCc1ccccc1 12376449 RCKZSMPYPDOOCC-GDNBJRDFSA-N 278.311 2.616 50 50 CFGA OB(O)c1cccc2c1oc1c(-c3ccccc3)cccc12 221802551 UYZXLKMREZFZPU-UHFFFAOYSA-N 288.111 2.933 50 50 CFGA C[C@@H](Cl)C(=O)N1CCC(C(=O)c2cccs2)CC1 1875364347 LVSOTWQTAJGOGW-SECBINFHSA-N 285.796 2.797 50 50 CFGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cccnc1 289284 UXLGYVGDTYIWAH-VCHYOVAHSA-N 278.315 2.635 50 50 CFGA O=c1cc(CCl)nc(COc2ccccc2Cl)[nH]1 5177865 NAWZTYRRCKYNPQ-UHFFFAOYSA-N 285.130 2.741 50 50 CFGA C/C(=N\NC(=O)c1cc(C)n[nH]1)c1ccccc1Cl 5317588 LEUJBAPOAYUPBV-CXUHLZMHSA-N 276.727 2.526 50 50 CFGA Cc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 70915 ULYOODAPSTYMOS-OAHLLOKOSA-N 280.327 2.810 50 50 CFGA CCOC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1Cl 5947838 HFVMRQPHPPOXLY-XFFZJAGNSA-N 278.739 2.876 50 50 CFGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccccc1F 241444 UBCRJVJDTNSKIO-PSLIRLAXSA-N 298.317 2.886 50 50 CFGA C[C@@H](Cl)C(=O)N1CC[C@H](Oc2cc(F)cc(F)c2)C1 1875367274 LDJDYXDAYSEATM-KCJUWKMLSA-N 289.709 2.572 50 50 CFGA COc1cccc(/C=N/NC(=O)COc2ccccc2C)c1 584693 DNSBKRBHOMWAHN-WOJGMQOQSA-N 298.342 2.533 50 50 CFGA C[C@@H](Cl)C(=O)Nc1c(F)c(F)cc(F)c1F 74941383 GKUFBIZNHKGYMI-GSVOUGTGSA-N 255.598 2.809 50 50 CFGA CC1=CC(C)=C(C#N)C2=S=C(c3ccccc3)C(=O)N12 334158881 LLVUIUFLFQPOSL-UHFFFAOYSA-N 280.352 2.670 50 50 CFGA C[C@H]1CN(C(=O)CCl)CC[C@H](c2ccccc2)O1 1875367241 FKMBPRFKABRXAS-WCQYABFASA-N 267.756 2.604 50 50 CFGA C[C@H](Cl)C(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1 1875377826 ORURIXJSXWSKHX-JQWIXIFHSA-N 297.782 2.813 50 50 CFGA Cc1[nH]c2cc(F)ccc2c1CCNC(=O)CCl 1875366939 ZXECXDZBSIUGIT-UHFFFAOYSA-N 268.719 2.513 50 50 CFGA CC(C)c1cc(C(=O)N/N=C/c2ccc(Cl)cc2)[nH]n1 17952182 AMEPDOTVNACHDP-LZYBPNLTSA-N 290.754 2.950 50 50 CFGA CO[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3 256458905 SXYIRMFQILZOAM-JBGZLPESSA-N 298.379 2.841 50 50 CFGA O=C(O)C1(P(=O)(c2ccccc2)c2ccccc2)CC1 301454 QGXVXRRVJPZEKR-UHFFFAOYSA-N 286.267 2.618 50 50 CFGA Cn1cccc1C(=O)N/N=C1\C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 1875390552 MFEHUXVQOXXHAL-CBKBGZINSA-N 271.364 2.567 50 50 CFGA C[C@H](Oc1cccc(Br)c1)C(=O)Cl 26470360 LQURBTMGIIUNQB-LURJTMIESA-N 263.518 2.982 50 50 CFGA COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(Cl)cc1 4646995 NVNFTHXVGLFHLS-VPMLRQHESA-N 279.723 2.825 50 50 CFGA Cc1cc(NC(=O)CBr)ccc1Cl 41696600 VBDJMOHRSJGHDP-UHFFFAOYSA-N 262.534 2.982 50 50 CFGA C/C(=N\NC(=O)Cc1ccc(C)cc1)c1ccccc1O 225440183 OFRPKHHCRMDOAB-QGOAFFKASA-N 282.343 2.784 50 50 CFGA C/C(=N\NC(=O)CCc1ccccc1)c1cccc(N)c1 12343120 WPBXKLVZZXHIPW-CPNJWEJPSA-N 281.359 2.742 50 50 CFGA N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccccc1F 70943 VFLUQOJSEVHLBI-HNNXBMFYSA-N 282.274 2.749 50 50 CFGA biogenic,in-vitro CN(C)c1ccc(NC(=O)C(C)(C)CCl)cc1 2569400 AOGSQXNQWJNTPY-UHFFFAOYSA-N 254.761 2.956 50 50 CFGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1F 241454 UBCRJVJDTNSKIO-BJOHPYRUSA-N 298.317 2.886 50 50 CFGA CCOC(=O)[C@@H](I)c1ccccc1 39616244 GFYUBPKXVMWINH-VIFPVBQESA-N 290.100 2.726 50 50 CFGA in-vitro Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc[nH]2)c1 433240 OQNUOMBSHJVAPC-VXLYETTFSA-N 299.374 2.976 50 50 CFGA CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccco2)cc1 298894 LDOLEYNMCFACPD-UHFFFAOYSA-N 286.331 2.652 50 50 CFGA CCCc1n[nH]c2c1[C@H](c1cccc(F)c1)C(C#N)=C(N)O2 4312243 LQTRIWXIIWQBDN-CYBMUJFWSA-N 298.321 2.719 50 50 CFGA CO[C@H](C)P(=O)(c1ccccc1)c1ccccc1 101002040 DMQIMZHESVGADX-ZDUSSCGKSA-N 260.273 2.993 50 50 CFGA CC(Cl)(Cl)C(=O)N[C@@H]1CCCC[C@@H]1Cl 5379351 RWXNHNFHOFTRCJ-NKWVEPMBSA-N 258.576 2.846 50 50 CFGA NC(=O)N/N=C1\C[C@@H]2CCCC[C@H]2c2ccccc21 16951789 JOBXDIOTFVACCN-UBNBHNNWSA-N 257.337 2.737 50 50 CFGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccco1 84600 BCWJDLZORIVLIJ-CYBMUJFWSA-N 284.315 2.730 50 50 CFGA CC(C)(C)c1cc([C@H](O)CC(=O)NN)cc(C(C)(C)C)c1 397478 IGKQEMWMVRSBHM-CQSZACIVSA-N 292.423 2.695 50 50 CFGA O=C(CCc1ccccc1)N/N=C/c1cccs1 437060 SHTTWHZNAAJDCH-RVDMUPIBSA-N 258.346 2.831 50 50 CFGA O=C(NCCCl)Nc1ccc(Br)c(F)c1 1848350241 VIYFIIHRZZKMDQ-UHFFFAOYSA-N 295.539 2.949 50 50 CFGA C[C@@H]1CCc2c(sc(NC(=O)CCl)c2C#N)C1 3885311 LVZDTXOTROOIDQ-SSDOTTSWSA-N 268.769 2.922 50 50 CFGA CC1(C)C[C@H](O)c2cc(NC(=O)CCl)ccc21 1875377809 OCJCPOVLECPJFO-NSHDSACASA-N 253.729 2.579 50 50 CFGA O=C(N/N=C/C=C/c1ccco1)c1ccc2[nH]cnc2c1 9019790 WFKGNJREFYHVRZ-BJEOCPPSSA-N 280.287 2.585 50 50 CFGA COc1cccc(/C=N/NC(=O)c2ccc(F)cc2)c1 253873 ZZXUYFZLXOENCG-LICLKQGHSA-N 272.279 2.598 50 50 CFGA COc1ccc2c(c1)CCCN(C(=O)[C@@H](C)Cl)C2 1875363489 DUQVZEIFFKWSCM-SNVBAGLBSA-N 267.756 2.597 50 50 CFGA Cc1nnc(NC(=O)[C@H](Cl)c2ccccc2)s1 41675553 NWIBPGZYMQCXSI-SECBINFHSA-N 267.741 2.765 50 50 CFGA COc1ccc2c(c1)C[C@H](C)C[C@@H]2NC(=O)CCl 1875367272 LCSZMELOMLSDPX-ZANVPECISA-N 267.756 2.674 50 50 CFGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 271061 BZJITMQJXFAJGL-XNTDXEJSSA-N 284.275 2.750 50 50 CFGA O=C(N/N=C/c1ccccc1)[C@H]1C[C@@H]1c1ccccc1 65037 OGGKFAULSBCNTR-QSMOJRPFSA-N 264.328 2.940 50 50 CFGA Cc1ccc(P(=O)(CC(=O)O)c2ccc(C)cc2)cc1 8017094 RBHATMOSALVAHA-UHFFFAOYSA-N 288.283 2.702 50 50 CFGA CC(C)O[Si](CCl)(OC(C)C)OC(C)C 170160292 SAKYAANYXZKYEK-UHFFFAOYSA-N 254.830 2.978 50 50 CFGA Cc1ccccc1NCC(=O)N/N=C\c1cccc(C)c1O 32603768 UACKNDOZPSOOJY-GRSHGNNSSA-N 297.358 2.571 50 50 CFGA CC(C)(C)OC(=O)N1CC(C#N)(CCCCl)C1 146760305 CISUTKJHLHWZCQ-UHFFFAOYSA-N 258.749 2.766 50 50 CFGA C[C@@H](Cl)C(=O)N1Cc2ccccc2OC(C)(C)C1 1875377896 QLCNSJIJUNTDEN-SNVBAGLBSA-N 267.756 2.814 50 50 CFGA CCOC(=O)/C(C#N)=C\Nc1ccc2oc(C)nc2c1 2546543 LGPMMCYJRGJISF-NTMALXAHSA-N 271.276 2.519 50 50 CFGA Cc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1 298711 BMHHICFYFPXNKY-LICLKQGHSA-N 256.280 2.898 50 50 CFGA O=C(CCl)NC1([C@H]2CCCc3ccccc32)CC1 1875367834 QOJSXCHEUDDNFY-ZDUSSCGKSA-N 263.768 2.994 50 50 CFGA CC(C)(CBr)CN1C(=O)c2ccccc2C1=O 1620965 LQAHBCLEIHEEPN-UHFFFAOYSA-N 296.164 2.704 50 50 CFGA in-vitro CC(C)S(=O)(=O)c1csc(C(=O)Cl)c1Cl 2159629 IECIGDCEDBXRTI-UHFFFAOYSA-N 287.189 2.963 50 50 CFGA O=C(NNc1cccc(Cl)n1)c1cccs1 1394554 VQLFJNQPYHEWEJ-UHFFFAOYSA-N 253.714 2.553 50 50 CFGA Cc1cc(C)c(-c2cc(=NC(=O)[C@H](F)Cl)[nH][nH]2)cc1C 2325898657 QYVLYRDIYXZRMR-ZDUSSCGKSA-N 295.745 2.897 50 50 CFGA O=C(CCl)N[C@H](C[C@H]1CCOC1)c1ccccc1 1875374994 NDGJNYQAELEMEQ-DGCLKSJQSA-N 267.756 2.509 50 50 CFGA Cc1ccccc1NCC(=O)NN=C1CCCCC1 583774 ZBBHOQYOVZNCNS-UHFFFAOYSA-N 259.353 2.843 50 50 CFGA CCOC(=O)N/N=C(\C)c1ccc(Br)cc1 4389509 IUPKDMWLCDWOFR-MDWZMJQESA-N 285.141 2.919 50 50 CFGA CC(C)c1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1 10451871 RFUIDUDAJWMECW-UHFFFAOYSA-N 296.370 2.814 50 50 CFGA O=C(CNc1ccc(F)cc1)NN=C1CCCCC1 271772 DMFGRPPKHIWYQY-UHFFFAOYSA-N 263.316 2.674 50 50 CFGA O=C(CCl)Oc1ccc(OC(F)(F)F)cc1 951723434 DVGIROBVZCTMAG-UHFFFAOYSA-N 254.591 2.729 50 50 CFGA C[C@H](Cl)C(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C 1875364437 MSJIFIHQTKHKEL-COMAGPEQSA-N 267.756 2.683 50 50 CFGA CCOc1ccc(/C=C2/C(=O)ON=C2CCl)cc1 34926717 ORJREFQCLKTVHJ-YRNVUSSQSA-N 265.696 2.620 50 50 CFGA O=C(Cl)c1cccc(I)c1 1604094 DTELTOREECFDBC-UHFFFAOYSA-N 266.465 2.670 50 50 CFGA O=C(CCl)Nc1nn(Cc2ccccc2)cc1Cl 2537014 ZTLJBBBTWQQBHC-UHFFFAOYSA-N 284.146 2.762 50 50 CFGA I[C@@H]1CC[C@H]2CCC[C@H]1O2 101043178 KDFURHOVIHNTGV-BWZBUEFSSA-N 252.095 2.522 50 50 CFGA C[C@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@@H](c1ccccc1)C2 315576 XPUAIYQLZQFQRL-CMPLNLGQSA-N 280.327 2.747 50 50 CFGA O=C(CN1CCCCCC1)N/N=C/c1cccc(Cl)c1 4990346 HCJYBWVIBPLBNP-GZTJUZNOSA-N 293.798 2.666 50 50 CFGA CN(C)/C=C/C(=O)c1ccc(OCCCCl)cc1O 4036807 PUBDJEOOACQIJD-SOFGYWHQSA-N 283.755 2.658 50 50 CFGA C=C(C)C(=O)OCCC[Si](OCC)(OCC)OCC 169748381 URDOJQUSEUXVRP-UHFFFAOYSA-N 290.432 2.544 50 50 CFGA in-vitro CN(C)c1ccc(/C=N/NC(=O)Nc2ccccc2)cc1 294463 IEEFGBXGKYJROG-SFQUDFHCSA-N 282.347 2.908 50 50 CFGA O=C(N/N=C/c1ccco1)c1ccccc1Br 253413 MZJFACFNNZVQQX-RIYZIHGNSA-N 293.120 2.806 50 50 CFGA O=C(Cc1ccccc1)N/N=C/c1cc(Cl)ccc1O 298609 PNMZFPBTUDWKCV-LICLKQGHSA-N 288.734 2.738 50 50 CFGA CC(C)(C)OC(=O)N1[C@@H](CBr)COC1(C)C 12506558 UTFPBVQWEAFHRD-QMMMGPOBSA-N 294.189 2.753 50 50 CFGA in-vitro C[C@@H]1C(C#N)=C(SCC#N)NC2=C1C(=O)CC(C)(C)C2 2848681 PHWULYWLCMPJLC-SECBINFHSA-N 287.388 2.861 50 50 CFGA C[C@@H](Cl)C(=O)NC1(c2ccc(F)cc2)CCC1 1875364669 PTINXCAYFOLEIX-SECBINFHSA-N 255.720 2.948 50 50 CFGA C[C@H](Cl)C(=O)N1CC2(CCOCC2)[C@H]1c1ccco1 1875380750 YODLYVLZPOCJRU-CMPLNLGQSA-N 283.755 2.587 50 50 CFGA O=C(N/N=C/c1cc2ccccc2[nH]c1=O)C1CCCCC1 2521885 RIEKIBQXKLGBSY-WOJGMQOQSA-N 297.358 2.559 50 50 CFGA C[C@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@H](c1ccccc1)C2 315578 XPUAIYQLZQFQRL-JQWIXIFHSA-N 280.327 2.747 50 50 CFGA O=C(NN/C=C1\Sc2ccccc2C1=O)c1ccccc1 284112 WTUNSGIAYBLZLV-UVTDQMKNSA-N 296.351 2.751 50 50 CFGA C/C(=N\NC(=O)CCc1c(C)n[nH]c1C)c1ccc(C)cc1 55758 BLYFYSZLHOPHGN-LDADJPATSA-N 298.390 2.808 50 50 CFGA CCOC(=O)N[C@H](N=C=S)C(Cl)(Cl)Cl 3123003 KFNRHTNNCLQBIZ-BYPYZUCNSA-N 277.560 2.532 50 50 CFGA COc1ccc(C(=O)N/N=C\c2ccc(C)s2)cc1 4977791 MBDGAEJNGHXQOT-DHDCSXOGSA-N 274.345 2.829 50 50 CFGA COc1ccc(/C=N/NC(=O)Nc2ccccc2)cc1 294422 XRWZKLFYEYRJAG-LFIBNONCSA-N 269.304 2.851 50 50 CFGA O=C(N/N=C/c1c(F)cccc1Cl)c1ccc(O)cc1 433254 QCNUHNQYJDLJDO-CAOOACKPSA-N 292.697 2.949 50 50 CFGA Cc1ccc(/C=N/NC(=O)c2ccc(F)cc2)s1 282938 YCMOOBZMGVODEF-OVCLIPMQSA-N 262.309 2.960 50 50 CFGA COc1ccc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)cc1 286346 GTSGJGZQWARHFZ-IQFISFIMSA-N 298.342 2.533 50 50 CFGA CC[C@@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(C)=O 17654965 RDJTWDKSYLLHRW-SSDOTTSWSA-N 282.252 2.942 50 50 CFGA endogenous,in-man CC(=O)NNC(=O)Nc1cc(C(F)(F)F)ccc1Cl 3086022 MVSCANZAQILSEQ-UHFFFAOYSA-N 295.648 2.531 50 50 CFGA C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccco1 4713958 MOYROPUYGGGBOL-LICLKQGHSA-N 267.288 2.915 50 50 CFGA COc1ccccc1[C@@H](CNC(=O)CCl)OC(C)C 1875377508 GCVZCLPRWOKTRX-CYBMUJFWSA-N 285.771 2.516 50 50 CFGA CN(C(=O)CCl)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 1875377759 MZRKITYNRFRLBL-CHWSQXEVSA-N 285.746 2.743 50 50 CFGA O=C(NN=C1C2CC3CC(C2)CC1C3)c1ccccc1O 492831 UHMSPQQBMSZIEC-UHFFFAOYSA-N 284.359 2.934 50 50 CFGA Cc1cc(NC(=O)CCl)ccc1N1CCSCC1 1319681490 BCQFEFWXSNELKZ-UHFFFAOYSA-N 284.812 2.726 50 50 CFGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc[nH]2)[C@@H]2CCCC=C12 19860521 MUDRVGIGKNSODE-DOMZBBRYSA-N 289.342 2.608 50 50 CFGA CCCN1CCC(=NNC(=O)c2ccccc2C)CC1 368604 YBSHPBLKGSLIDK-UHFFFAOYSA-N 273.380 2.587 50 50 CFGA N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccc(F)cc1F 4007365 OCHFAZCCFZCRGP-OAHLLOKOSA-N 299.280 2.765 50 50 CFGA O=C(N/N=C/c1ccc(Cl)cc1)c1ccn2ccnc2c1 602993674 YFXAAOUGJHQLIF-VCHYOVAHSA-N 298.733 2.752 50 50 CFGA CC(C)(C)OC(=O)C12CC(CBr)(C1)C2 258830268 FMJZFIHFODXOHW-UHFFFAOYSA-N 261.159 2.893 50 50 CFGA C[C@H](Cl)C(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 1875364820 UYOIWRWUPUAWSL-CMPLNLGQSA-N 295.766 2.749 50 50 CFGA CCOC(=O)/C(C#N)=C/c1[nH]c2ccccc2c1OC(C)=O 448509 DNXGLVKVVYSECP-DHZHZOJOSA-N 298.298 2.563 50 50 CFGA Cc1ccc(NC(=O)CBr)c(Cl)c1 58845147 BDQFCSJDMJRONG-UHFFFAOYSA-N 262.534 2.982 50 50 CFGA N#C/C(=C\c1ccc(Br)cc1F)C(=O)O 36667488 RFHPRXIRNOINHK-XVNBXDOJSA-N 270.057 2.580 50 50 CFGA in-vitro C/C(=N\NC(=O)Cc1cccn1C)c1ccccc1Cl 19849177 TTWJCCKPTYVSKI-GZTJUZNOSA-N 289.766 2.761 50 50 CFGA CCCOc1ccc(/C=N/NC(=O)Cc2cccn2C)cc1 1798770 WGHNFFNBANQNKT-QGOAFFKASA-N 299.374 2.507 50 50 CFGA O=C(CCCBr)OCc1ccccc1 2516818 JJUJDJNFXYNOKI-UHFFFAOYSA-N 257.127 2.905 50 50 CFGA in-vitro Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CCl 4293956 JIAMCNNLSCPTDV-UHFFFAOYSA-N 277.755 2.726 50 50 CFGA CC(C)(CCl)C(=O)Nc1ccnc(-c2ccncc2)n1 5522132 KMBVYCYKELCXRT-UHFFFAOYSA-N 290.754 2.742 50 50 CFGA O=C1OC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]12 95670828 PSKVQQJLLWSBFV-QDIHITRGSA-N 276.291 2.593 50 50 CFGA CCCC[C@@H]1C[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@H]1CCCC 244594227 DISACLKUQROZLM-SYQHCUMBSA-N 280.412 2.786 50 50 CFGA O=C(CCl)N(Cc1cscn1)c1ccccc1 1319682744 WIYZWZCEYQVUQD-UHFFFAOYSA-N 266.753 2.915 50 50 CFGA N#CC1=C(N)Oc2cc(O)ccc2[C@H]1[C@H]1CC=CCC1 115368 WNWHKBUEMGBZFB-ZUZCIYMTSA-N 268.316 2.918 50 50 CFGA CC[C@H](Oc1ccc(C)cc1[N+](=O)[O-])C(=O)Cl 40451358 KGZQSORMRMLRPW-VIFPVBQESA-N 257.673 2.826 50 50 CFGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1 493673 TZNYCZVUVQQOTI-XNTDXEJSSA-N 284.275 2.750 50 50 CFGA C/C(=N\NC(=O)Cc1cccs1)c1cccs1 5204081 WXOPISMLVKTTQJ-UKTHLTGXSA-N 264.375 2.893 50 50 CFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1[C@@H]1CC=CCC1 115401 VCFQUELPHGNCFO-YGRLFVJLSA-N 270.332 2.690 50 50 CFGA O=C(CCl)Nc1ccc(Cc2ccncc2)cc1 9879503 PXEMJVFUXKULII-UHFFFAOYSA-N 260.724 2.850 50 50 CFGA O=C(CCl)N(CCCO)[C@@H]1CCCc2ccccc21 1875377837 OXTVCSWEUXKMJT-CQSZACIVSA-N 281.783 2.514 50 50 CFGA CC(/C=C/c1ccccc1)=N/NC(=O)c1ccc(O)cc1O 238881 SCNBPIWTLJANLC-COKRBVQGSA-N 296.326 2.917 50 50 CFGA O=C1OC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]12 95670830 PSKVQQJLLWSBFV-CKUJCDMFSA-N 276.291 2.593 50 50 CFGA O=C(N/N=C/c1ccc(Cl)cc1)[C@H]1CC12CCC2 62438 JVHOFZSJXHNBCG-GFQQVXNGSA-N 262.740 2.980 50 50 CFGA CC1=C(c2ccco2)CN(C(=O)[C@H](C)Cl)CC1 1875375519 COXTUDUAIJSSLV-JTQLQIEISA-N 253.729 2.913 50 50 CFGA C[Si](C)(CCCCO)O[Si](C)(C)CCCCO 195758221 OWJKJLOCIDNNGJ-UHFFFAOYSA-N 278.541 2.958 50 50 CFGA in-vitro O=C(Cc1ccccc1)N[C@H]1CCCC[C@@H]1Cl 5602822 QSSLYFDFFVFMHS-STQMWFEESA-N 251.757 2.895 50 50 CFGA COc1ccc(NCC(=O)N/N=C(\C)c2ccccc2)cc1 4534431 YPEULTIBIYCOFA-CPNJWEJPSA-N 297.358 2.648 50 50 CFGA COc1ccc2c(c1)c(C(=O)CCl)c(C)n2C 546983 JUHGHKOLGPSYIF-UHFFFAOYSA-N 251.713 2.917 50 50 CFGA in-vitro CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(C)cc1 267705 MMFSVZVLKRRIEG-HNNXBMFYSA-N 298.342 2.640 50 50 CFGA CC1=C(C#N)[C@H](c2cccnc2)C2=C(CCCC2=O)N1 100544460 MNKRZEXYILKUCR-HNNXBMFYSA-N 265.316 2.573 50 50 CFGA N#CC(=C1NCCCN1)c1nc(-c2ccccc2)cs1 170610659 DZMRGJVPDIXITI-UHFFFAOYSA-N 282.372 2.585 50 50 CFGA COc1cccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)c1 299550 RTGALKXDSYTQQA-LDADJPATSA-N 297.358 2.525 50 50 CFGA Cc1noc(-c2ccccc2CBr)n1 12370396 GTXIOLDSSMKRDR-UHFFFAOYSA-N 253.099 2.940 50 50 CFGA C/C(=N\NC(=O)c1cc(C)oc1C)c1ccccc1O 13596817 YPUPSMOGONWLEI-MHWRWJLKSA-N 272.304 2.756 50 50 CFGA O=C1OC(=O)c2c(Br)ccc3cccc1c23 100502415 TZUREPOYENXNME-UHFFFAOYSA-N 277.073 2.913 50 50 CFGA Cc1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])s1 282399 JLJYIFYJCIMPHA-RIYZIHGNSA-N 289.316 2.729 50 50 CFGA Cc1ccc(O)c(/C=N/NC(=O)c2cccc(F)c2)c1 298670 KVUDAXCHBHXFBB-RQZCQDPDSA-N 272.279 2.604 50 50 CFGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc(F)c1 240723 UABMVZXMXSVPSO-VFZGTOFNSA-N 298.317 2.886 50 50 CFGA Cc1ccccc1OCC(=O)N/N=C/c1ccc(F)cc1 431665 LPZIUFXBPFDEDW-VCHYOVAHSA-N 286.306 2.663 50 50 CFGA O=C(CCl)Nc1cc2c(Cl)n[nH]c2cc1F 1875374775 DVLRVAOAVGNICA-UHFFFAOYSA-N 262.071 2.533 50 50 CFGA O=C(CCl)N(CC1=CCCOC1)Cc1ccccc1 1875379662 SZCPYSMOQMXTDQ-UHFFFAOYSA-N 279.767 2.601 50 50 CFGA CC(C)c1ccc(/C=N/NC(=O)c2n[nH]c3c2CCC3)cc1 5295370 XWSTYNVLHGPXKP-VCHYOVAHSA-N 296.374 2.786 50 50 CFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc(C)c1 207836 HYPHURACKKXCLL-HNNXBMFYSA-N 298.342 2.640 50 50 CFGA CCCC[C@@H](Br)C(=O)Br 2242577 CSFUYRGXBNPTSR-RXMQYKEDSA-N 257.953 2.862 50 50 CFGA biogenic O=C(N/N=C/[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1C[C@H]2CC[C@H]1C2 111088989 SETCSWXEUHFLEF-ZWMVWCGASA-N 260.381 2.961 50 50 CFGA O=[N+]([O-])c1cccc(C(=S)CBr)c1 335887 QBLJIVUVUDGZFL-UHFFFAOYSA-N 260.112 2.708 50 50 CFGA CCOC(=O)/C(C#N)=C(\C)Cc1ccc([N+](=O)[O-])cc1 71863948 JCRWSWDLIUAFDG-JLHYYAGUSA-N 274.276 2.540 50 50 CFGA O=C(CBr)c1ccc(N2CCCC2)cc1 156422 WLRIUCQUMKJOGT-UHFFFAOYSA-N 268.154 2.864 50 50 CFGA in-vitro O=C(N/N=C/c1ccc(N2CCCCC2)o1)c1ccco1 434478 YLDWYQFXVLYLLF-LFIBNONCSA-N 287.319 2.627 50 50 CFGA CNc1ccccc1C(=O)N/N=C/Cc1ccccc1 4774643 UAUIJRIIHGCMFN-LDADJPATSA-N 267.332 2.687 50 50 CFGA N#CC1(C#N)[C@H]2/C=C\[C@@H](Cl)/C=C\C=C/[C@H]2C1(C#N)C#N 101137856 HFLMZNCJCDHLAR-UEWXEBAQSA-N 280.718 2.589 50 50 CFGA CC1(C)CC(=O)[C@H](C(=O)Cc2ccccc2)C(=O)[C@H]1Cl 100319472 IKZRJPUGMXAEHP-DZGCQCFKSA-N 292.762 2.590 50 50 CFGA CC1CCC(N(C[C@@H]2CCCO2)C(=O)CCl)CC1 1875363743 WTBHVMIVXGWYNX-BPCQOVAHSA-N 273.804 2.812 50 50 CFGA COC[C@H](C)N(C(=O)CCl)c1c(C)csc1C 6072113 JLYFCTQDENRSOL-VIFPVBQESA-N 275.801 2.972 50 50 CFGA in-vitro CCCOc1ccc2[nH]cc(CCNC(=O)CCl)c2c1 1875367474 FVXOVAIIUMEAOJ-UHFFFAOYSA-N 294.782 2.854 50 50 CFGA C[C@H](Cl)C(=O)N[C@H]1c2cc(F)ccc2C[C@H]1C 1875364109 DSCABVMTJPKNTC-RGNHYFCHSA-N 255.720 2.803 50 50 CFGA CCOC(=O)C(C#N)=C1CCN(Cc2ccccc2)CC1 59592634 HSTSIRUENGPGSB-UHFFFAOYSA-N 284.359 2.666 50 50 CFGA in-vitro Cc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1 254423 QFWRYFMWMOURFP-LICLKQGHSA-N 256.280 2.898 50 50 CFGA O=[N+]([O-])c1cc(F)cc(F)c1CBr 169801400 VDMRAUBXSMOGLA-UHFFFAOYSA-N 252.014 2.768 50 50 CFGA C[C@@H]1CCCN(CC(=O)C(C#N)=C2Nc3ccccc3N2)C1 55531331 BZSULJIRDNQYMW-GFCCVEGCSA-N 296.374 2.560 50 50 CFGA CCn1cncc1[C@H]1CCCCN1C(=O)[C@H](C)Cl 1875380518 RFWVFMCUHQFDRF-WDEREUQCSA-N 269.776 2.584 50 50 CFGA CC1CCC(=NNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 4366647 LGSBPZWKHGPQLY-UHFFFAOYSA-N 275.308 2.891 50 50 CFGA Cc1cc(C)c(S(=O)(=O)NCCCCl)c(C)c1 2025943 FPDIFZNQLZTUOX-UHFFFAOYSA-N 275.801 2.519 50 50 CFGA Cc1ccc(N2C[C@H](CBr)OC2=O)cc1 71780318 MMKJURFQQNFRMD-JTQLQIEISA-N 270.126 2.715 50 50 CFGA Br[C@H]1[C@H]2C[C@H]3[C@H]1[N@@+]3(Cc1ccccc1)C2 255004274 XHYJGHLAIHMIPV-BAYHKCFCSA-N 265.174 2.551 50 50 CFGA CC1(C)OB(CCCI)OC1(C)C 238260706 WETXOGCWOHSZTA-UHFFFAOYSA-N 295.957 2.904 50 50 CFGA in-vitro COc1cc(OC)c(NC(=O)[C@@H](C)Cl)cc1Cl 19397668 CIKNJZYSUKFIRQ-ZCFIWIBFSA-N 278.135 2.923 50 50 CFGA C[C@H](NC(=O)CCl)c1ncc(-c2ccc(F)cc2)o1 1875375251 WJXNOAXDFSPPON-QMMMGPOBSA-N 282.702 2.897 50 50 CFGA CCO[C@H](C)c1nc(CN(C)C(=O)[C@@H](C)Cl)cs1 1875364536 UOECZYVKBAKCNO-RKDXNWHRSA-N 290.816 2.826 50 50 CFGA COc1ccc(/C=C(\C#N)C(=O)OCC(C)C)cc1OC 19878591 JNMQVBPNSVYNHK-NTUHNPAUSA-N 289.331 2.810 50 50 CFGA COc1ccc(C2=CCN(C(=O)[C@H](C)Cl)C2)cc1 1875378189 WWJXOUYWTOFYHL-JTQLQIEISA-N 265.740 2.548 50 50 CFGA O=C(Cl)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 67800065 DQFYRJZINHXBSM-UHFFFAOYSA-N 253.563 2.993 50 50 CFGA Cc1ccc(Cl)c(OCc2ccc(C(=O)NN)cc2)c1 2568633 MOWSXWFFVVFDOW-UHFFFAOYSA-N 290.750 2.831 50 50 CFGA COC(=O)N/N=C(\C)c1cccc(C(F)(F)F)c1 5282496 ICWJYZJWXBCHKL-VIZOYTHASA-N 260.215 2.785 50 50 CFGA CCOC(=O)NN(C(=O)OCC)[C@@H](C)Cc1ccccc1 71771952 HDKVPSWPEUZFFF-LBPRGKRZSA-N 294.351 2.737 50 50 CFGA O=C(/C=C/c1ccccc1)NNc1ccc([N+](=O)[O-])cc1 4109638 RPAQZOBBSBMDMP-IZZDOVSWSA-N 283.287 2.751 50 50 CFGA O=C(NN=Cc1ccc2c(c1)CCC2)c1ccccc1 16980505 QOPYMUWTUVPHJA-UHFFFAOYSA-N 264.328 2.939 50 50 CFGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1[C@@]12C=C[C@@H](CC1)C2 407478 GWGGFXVBQUTMEE-QXKQMHMISA-N 282.343 2.690 50 50 CFGA CC(C)(C)OC(=O)N1CC[C@H](Br)[C@H](F)C1 675082305 YATYOTHYSYTNIS-JGVFFNPUSA-N 282.153 2.729 50 50 CFGA CC(C)N1CCN(C(=O)[C@@H](C)Cl)Cc2ccccc21 1875377818 ONHMSGRBZRQNID-GFCCVEGCSA-N 280.799 2.871 50 50 CFGA Cc1ccc(C(=O)N/N=C/c2cccc(F)c2)s1 371246 UDMYHSIJWWIYOK-OVCLIPMQSA-N 262.309 2.960 50 50 CFGA CCO[Si](OCC)(OCC)c1ccc(Cl)cc1 170161958 AFILDYMJSTXBAR-UHFFFAOYSA-N 274.820 2.595 50 50 CFGA CCCCc1ccc(-c2ccc(B(O)O)c(F)c2)cc1 198081978 GGVROXPECQCGRD-UHFFFAOYSA-N 272.128 2.515 50 50 CFGA in-vitro CC(C)(C)OC(=O)N1[C@H](CBr)COC1(C)C 12506560 UTFPBVQWEAFHRD-MRVPVSSYSA-N 294.189 2.753 50 50 CFGA in-vitro O=[N+]([O-])c1ccccc1OCCCBr 4291228 HPZBIRIHQKSGGT-UHFFFAOYSA-N 260.087 2.759 50 50 CFGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccnc1 43693 UKFATYADHHPKQM-AWEZNQCLSA-N 295.342 2.532 50 50 CFGA CC(C)(C)OC(=O)N/N=C(\N)c1ccc2ccccc2c1 43769303 LHDXOEJMEHJTRB-UHFFFAOYSA-N 285.347 2.985 50 50 CFGA COc1ccc(Cl)cc1NC(=O)CBr 5745158 FUXRXEJSCPUNCC-UHFFFAOYSA-N 278.533 2.682 50 50 CFGA CC(C)[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21 4014937 KGFLMYRETVZUOX-LBPRGKRZSA-N 280.331 2.903 50 50 CFGA C[C@H](CCc1c(F)cccc1F)NC(=O)CCl 1875379309 PQDLGUWFIVOWAB-MRVPVSSYSA-N 261.699 2.641 50 50 CFGA C[C@]1(c2ccc3c(c2)OCO3)O[C@@H](CCl)CS1 1766748 DWLXQAAZOXWLKI-CABZTGNLSA-N 272.753 2.959 50 50 CFGA COC(=O)N/N=C\c1ccc(-c2ccc(F)cc2)o1 4860669 JXXOEWTZPORECK-NVNXTCNLSA-N 262.240 2.776 50 50 CFGA O=C(NCc1cccc(F)c1)[C@@H]1CCCSS1 1875388229 RXWIBYIVJHHKTB-NSHDSACASA-N 271.382 2.986 50 50 CFGA Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(F)cc1 109248 YTQCJEKPHABARY-VCHYOVAHSA-N 296.305 2.546 50 50 CFGA COc1ccccc1/C=N\NC(=O)CNc1ccc(C)cc1 16667956 PIYKIYHBZACJTD-ODLFYWEKSA-N 297.358 2.566 50 50 CFGA O=C(O)C[C@@H](Br)c1cccc([N+](=O)[O-])c1 2173770 DEKRYHWYJDKPOF-MRVPVSSYSA-N 274.070 2.506 50 50 CFGA CCC[C@@H](CC)C(=O)NCCSSCCC(=O)O 1875354677 LEOASCJCQLZXMM-SNVBAGLBSA-N 293.454 2.785 50 50 CFGA N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccccc1F 58433 FENCJBWLEILJBY-OAHLLOKOSA-N 281.290 2.626 50 50 CFGA CC[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](C)[C@@H]2C1 6265718 MLINCYMNYRQLLS-LOWVWBTDSA-N 266.348 2.769 50 50 CFGA CC(C)(O)P(=O)(c1ccccc1)c1ccccc1 267454 ISZZFJZJJHPFJN-UHFFFAOYSA-N 260.273 2.729 50 50 CFGA biogenic CC1(C)OB(C(Br)Br)OC1(C)C 196273793 LFJFHEZDHXPBCP-UHFFFAOYSA-N 299.799 2.734 50 50 CFGA CC[C@H](Oc1ccc([N+](=O)[O-])c(C)c1)C(=O)Cl 40451360 IVIRHVSZZCHVNV-JTQLQIEISA-N 257.673 2.826 50 50 CFGA CN(Cc1cnn(-c2cccc(Cl)c2)c1)C(=O)CCl 1875363469 CBHROFSXEOWQOB-UHFFFAOYSA-N 298.173 2.723 50 50 CFGA C[C@@H](Br)C(=O)NCc1ccc(F)cc1Cl 1267971651 RIRYTQDZOKBTQZ-ZCFIWIBFSA-N 294.551 2.879 50 50 CFGA COc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1 242819 JPFOEFSVHGZUCD-WOJGMQOQSA-N 298.342 2.533 50 50 CFGA N#C/C(=C\Nc1ccccc1)S(=O)(=O)c1ccccc1 18060130 WYUJVAKAGVDISL-NTCAYCPXSA-N 284.340 2.937 50 50 CFGA COC(=O)c1ccc(/C=N/NC(=O)C2CCCCC2)cc1 2513462 SMYAFRWESQAODM-GZTJUZNOSA-N 288.347 2.504 50 50 CFGA N#CCCSc1ccccc1NC(=O)CCl 2163508 JEBVEAITESKWPZ-UHFFFAOYSA-N 254.742 2.870 50 50 CFGA CCOc1ccc(/C(C)=N/NC(=O)c2cccnc2)cc1 4992125 APMOMSFZFNZFTN-LDADJPATSA-N 283.331 2.634 50 50 CFGA COc1cccc(C2C(C#N)=C(C)NC(C)=C2C#N)c1 19418536 NDUUEKVVEDKTNG-UHFFFAOYSA-N 265.316 2.977 50 50 CFGA CC/C(Cc1ccccc1)=N\NC(=O)c1ccccn1 5499156 GOCCTFRXESKWPK-NBVRZTHBSA-N 267.332 2.820 50 50 CFGA C=CC(=O)N1CCC(=C(C#N)c2ccccc2)CC1 2325890326 HPZOCRHOEZMBBU-UHFFFAOYSA-N 252.317 2.772 50 50 CFGA Cc1ccc(C(=O)NNc2ccccc2F)s1 153079486 WYRYAIFJZWBOOF-UHFFFAOYSA-N 250.298 2.953 50 50 CFGA CCC(CC)=NNC(=O)C(=O)Nc1cccc(Cl)c1 5008710 YMPGEYQUCWLKCX-UHFFFAOYSA-N 281.743 2.571 50 50 CFGA O=C(NNC(=O)c1cccs1)Nc1cccc(Cl)c1 120984 WYDHONZWGITXDK-UHFFFAOYSA-N 295.751 2.868 50 50 CFGA CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1C1CCCCC1 267712 JNZMYXLNOALOGT-CQSZACIVSA-N 290.363 2.744 50 50 CFGA CC(C)COC(=O)/C(C#N)=C\c1ccc2c(c1)OCO2 4831640 WWYWTHILBDBFJR-XGICHPGQSA-N 273.288 2.521 50 50 CFGA O=C(Cc1cccs1)N/N=C/c1cccc(F)c1 2389016 TULKYGUZLKIKHB-OQLLNIDSSA-N 262.309 2.580 50 50 CFGA O=C(NNc1ccccc1)C1[C@H]2[C@H]3C[C@@H]4[C@H]2[C@@H]2C[C@H]4[C@@H]3[C@@H]12 584907721 XOBOZBKMUKCWKD-USAGLIQKSA-N 280.371 2.524 50 50 CFGA C=CCc1cccc(/C=N/NC(=O)c2ccc(O)cc2)c1O 3586565 AFUAQUKRRMBOMA-WOJGMQOQSA-N 296.326 2.590 50 50 CFGA C[C@@H](Cl)C(=O)N1CCc2ccc(F)cc2[C@H]1C 1875364737 RZVMIZQDJMHHAS-RKDXNWHRSA-N 255.720 2.899 50 50 CFGA O=C(N/N=C/c1ccccc1Cl)c1ccccc1O 256344 UMWYHLIWMXZRQO-CXUHLZMHSA-N 274.707 2.810 50 50 CFGA COc1ccc(C(=O)C(F)(F)CBr)cc1 1535543414 ABMBHSXLUHOXQB-UHFFFAOYSA-N 279.080 2.908 50 50 CFGA Cc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 493620 BJAXQGYKAOTJGB-MHWRWJLKSA-N 283.287 2.667 50 50 CFGA Cc1ccc(/C=N\NC(=O)CNc2ccccc2C)c(O)c1 16671200 GVDYWATXKDPTRX-GRSHGNNSSA-N 297.358 2.571 50 50 CFGA O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)Nc1ccccc1 283282 JUSNOMZKMFSVBU-HUUCEWRRSA-N 295.342 2.643 50 50 CFGA O=C1ON=C(CCl)/C1=C\c1ccc(O)c(Cl)c1 34926756 NDVQFYQJHFKNBG-XVNBXDOJSA-N 272.087 2.581 50 50 CFGA O=C(CCl)N1CCSc2c([nH]c3ccccc23)C1 1875368108 PXDAKDQQFOIBCR-UHFFFAOYSA-N 280.780 2.841 50 50 CFGA CCOc1ccccc1/C=N/NC(=O)c1ccc(O)cc1 3340246 QSRIGWNDPQECSJ-GZTJUZNOSA-N 284.315 2.555 50 50 CFGA COc1ccc(OC)c(C2C(C#N)=C(C)NC(C)=C2C#N)c1 19690571 FFBOKAVBAXHYJV-UHFFFAOYSA-N 295.342 2.986 50 50 CFGA O=C1OC(=O)C2=C1SC[C@H](c1ccccc1)S2 100817963 LAWYVMVHYXFMHX-MRVPVSSYSA-N 264.327 2.503 50 50 CFGA COc1ccc2c(c1)C(=O)[C@@H](Br)CC2 4582761 WHEBCCJXJLNMGZ-JTQLQIEISA-N 255.111 2.588 50 50 CFGA in-vitro C[C@@H](Cl)C(=O)N[C@H]1CCc2ccccc2-n2ccnc21 1875380498 QSJQXAGGZRUPCY-PWSUYJOCSA-N 289.766 2.603 50 50 CFGA C[C@H](Cl)C(=O)N[C@@H](c1ccnc(Cl)c1)C1CC1 1875378086 VLCWNJPTHRZKSX-WRWORJQWSA-N 273.163 2.930 50 50 CFGA Cc1nc(-c2ccc(NC(=O)[C@H](C)Cl)cc2)no1 1875367496 IGBVKDJEWMODMC-ZETCQYMHSA-N 265.700 2.611 50 50 CFGA C[C@@H](Cl)C(=O)N[C@@H]1CCc2ccccc2-n2ccnc21 1875380499 QSJQXAGGZRUPCY-ZYHUDNBSSA-N 289.766 2.603 50 50 CFGA N#C/C(=C\c1ccccn1)C(=O)N1CCc2ccccc2C1 253449990 YGASLCVERQKLIT-LFIBNONCSA-N 289.338 2.573 50 50 CFGA O=C(N/N=C/C=C/c1ccccc1)[C@H](O)c1ccccc1 4901705 NOWCZYYPCFYQTM-DFRZHSBESA-N 280.327 2.535 50 50 CFGA C[C@@H](Cl)C(=O)N1CCO[C@@H](c2ccc(Cl)s2)C1 1875364170 HBAAGMUEZMJRBK-HTQZYQBOSA-N 294.203 2.929 50 50 CFGA CSc1ccc(/C=N/NC(=O)c2ccncc2)cc1 2232166 IUQQGVMRVCDRSZ-MHWRWJLKSA-N 271.345 2.567 50 50 CFGA CO[C@H](NC(=O)c1ccc(Cl)cc1)C(Cl)Cl 3160556 OGVJRQWNLCEFNA-JTQLQIEISA-N 282.554 2.846 50 50 CFGA C[C@@]1(c2ccccc2)CN(C(=O)C2CC(Cl)C2)CCO1 585131991 LXHCHUFHKSBVNE-PXCJXSSVSA-N 293.794 2.778 50 50 CFGA CC/C(=N\NC(=O)c1cccs1)c1ccc(O)cc1 5024821 RXYPPIDPCJXPJX-NTCAYCPXSA-N 274.345 2.998 50 50 CFGA CC(/C=N/NC(=O)c1cccnc1)=C\c1ccccc1 12732580 IBQCUYPFRQKZNZ-HWVXOFFASA-N 265.316 2.901 50 50 CFGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(F)cc1 2485478 XUMLBLRJFCHHSR-BJOHPYRUSA-N 298.317 2.886 50 50 CFGA CC(C)(C)OC(=O)N1C[C@H](CBr)OC1(C)C 261507506 JHKBXTJHHHNYQM-QMMMGPOBSA-N 294.189 2.753 50 50 CFGA O=C(CCl)Nc1nccc(-c2ccc(F)c(F)c2)n1 1875377532 GKKJOPKKVNEDEL-UHFFFAOYSA-N 283.665 2.599 50 50 CFGA Cc1ccccc1-c1cc(C(=O)NN)c2ccccc2n1 2789034 QBTASGVHKHZOKB-UHFFFAOYSA-N 277.327 2.814 50 50 CFGA C/C(=N/NC(=O)c1cc(O)cc(O)c1)c1ccc(C)cc1 4964074 RNBUPWLQOYSOFH-BOPFTXTBSA-N 284.315 2.560 50 50 CFGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc[nH]2)[C@H]2CCCC=C12 19860519 MUDRVGIGKNSODE-WFASDCNBSA-N 289.342 2.608 50 50 CFGA O=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccccc1O 52720 FBWKZUXQSNCKMS-YBFXNURJSA-N 293.326 2.566 50 50 CFGA Cc1ccccc1C(=O)N/N=c1/sc2ccccc2n1C 1875253265 NZOWXLOAOOMMBO-FBMGVBCBSA-N 297.383 2.794 50 50 CFGA Cc1cc(NNC(=O)c2ccco2)nc2ccccc12 13234358 UETZDYCMGLIYEZ-UHFFFAOYSA-N 267.288 2.893 50 50 CFGA COc1cccc(C(=O)N/N=C/c2c[nH]c3ccccc23)c1 268626 CDHZKCZGPXGKFN-YBFXNURJSA-N 293.326 2.940 50 50 CFGA C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccs1 242060 MXQTZVCPHTVGKL-SDBXPKJASA-N 286.356 2.809 50 50 CFGA O=C(Cl)c1cc([N+](=O)[O-])ccc1Br 67800091 ZXJNUFQVJRBJJY-UHFFFAOYSA-N 264.462 2.736 50 50 CFGA O=C(CCl)Nc1ncc(C(F)(F)F)cc1Cl 157724 RZONLVHKPUSMDC-UHFFFAOYSA-N 273.041 2.931 50 50 CFGA COc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1 298673 KJUJOOKNQVNBLP-LICLKQGHSA-N 272.279 2.598 50 50 CFGA O=C(Cc1ccccc1)N1CCCC[C@H]1CCl 5773201 VZACRKPSAVYYKL-ZDUSSCGKSA-N 251.757 2.849 50 50 CFGA O=C(CBr)Nc1ccc(F)c(Cl)c1 6505531 KYGXRNBDSUCFNX-UHFFFAOYSA-N 266.497 2.813 50 50 CFGA CCOc1ccc(/C=N/NC(=O)c2ccc(OC)cc2)cc1 297024 FSOWXTJETUXWNX-LDADJPATSA-N 298.342 2.858 50 50 CFGA C=CCSC1=C(C#N)[C@@H](c2cccc(O)c2)CC(=O)N1 8973132 NNIRSPIDMKXJTM-GFCCVEGCSA-N 286.356 2.650 50 50 CFGA COc1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1 252628 UKPYHZJHGFRDBZ-LICLKQGHSA-N 272.279 2.598 50 50 CFGA C/C(=N\NC(=O)c1ccncc1)c1ccc(Cl)cc1 12571663 FJXUUGVIVZHNES-LICLKQGHSA-N 273.723 2.889 50 50 CFGA CN1[C@@H]2CCCC[C@H]2N(C)P1(=O)N1CCCCC1 101147190 ILDAVWNADMBKGB-CHWSQXEVSA-N 271.345 2.769 50 50 CFGA CC(C)(C)OC(=O)N1CC=C(F)[C@@H](Br)C1 306729136 COECNWCFQGVLAT-ZETCQYMHSA-N 280.137 2.854 50 50 CFGA C[C@H](Cl)C(=O)N1CCSc2ccccc2C1 1875364370 LYKPEPKDTKMITR-VIFPVBQESA-N 255.770 2.748 50 50 CFGA Cc1ccccc1NC(=O)/C(C#N)=C\c1cccnc1 5059253 MZUASUWTMWXRAX-ZROIWOOFSA-N 263.300 2.936 50 50 CFGA O=c1ccc2ccc(OCCCCCl)cc2[nH]1 71973401 DPQAKBJISUNJNK-UHFFFAOYSA-N 251.713 2.926 50 50 CFGA CC(C)[C@H](Br)C(=O)C#C[Si](C)(C)C 169998849 IHDMQOXPNXBFST-JTQLQIEISA-N 261.235 2.856 50 50 CFGA in-vitro COc1ccc(C(=O)N/N=C/c2ccccc2C)cc1 296867 GDUCCECCYOKZLW-GZTJUZNOSA-N 268.316 2.768 50 50 CFGA Cc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1 297303 CBFOBUWFERRUET-MHWRWJLKSA-N 283.287 2.667 50 50 CFGA C[C@H]1CCCN(S(=O)(=O)c2ccc(N=C=S)cc2)C1 17024095 OXSMLEXBNZWGCK-NSHDSACASA-N 296.417 2.842 50 50 CFGA CC(=O)Nc1ccc(/C=N/NC(=O)Nc2ccccc2)cc1 1752662 WQPYATSGRIHUFU-GZTJUZNOSA-N 296.330 2.801 50 50 CFGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccs1 242054 MXQTZVCPHTVGKL-OQPBUACISA-N 286.356 2.809 50 50 CFGA O=C(N/N=C/c1ccc(F)cc1)C1[C@@H]2CCCC[C@@H]12 100382481 HLWMIIZDSPHJFV-SSTXIFODSA-N 260.312 2.712 50 50 CFGA O=c1cc(CBr)c2ccc(F)c(F)c2[nH]1 45672822 YAJXWUVQJAQZDT-UHFFFAOYSA-N 274.064 2.701 50 50 CFGA C[C@H](Cl)C(=O)Nc1c(F)c(F)cc(F)c1F 74941382 GKUFBIZNHKGYMI-VKHMYHEASA-N 255.598 2.809 50 50 CFGA C/C=C1\CN2CC[C@@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1ccccc14 253487991 VFUITWPFKLGEQA-AEJJRVHESA-N 292.382 2.857 50 50 CFGA C[C@@H](Cl)C(=O)NCc1ccnc(-c2ccccc2)c1 1875380483 QIDPGHBFKXFEHO-LLVKDONJSA-N 274.751 2.992 50 50 CFGA Cc1scc(C(=O)N/N=C/c2ccncc2)c1C 2788990 JCASBYCBNJIFGC-VIZOYTHASA-N 259.334 2.524 50 50 CFGA C[C@H](Cl)C(=O)N1CCC[C@]2(C1)OCc1ccccc12 1875369124 ZNOFOIRFZZMHQE-XHDPSFHLSA-N 279.767 2.662 50 50 CFGA CC[C@@H]1[C@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N 34954472 VTUSSDFWHHKMGK-WCQYABFASA-N 252.321 2.523 50 50 CFGA O=C(CBr)c1ccc(C(F)(F)F)nc1 199751945 OJEJYGUDWWJGKL-UHFFFAOYSA-N 268.032 2.678 50 50 CFGA O=C(N/N=C/c1c[nH]c2ccccc12)c1cccc(O)c1 242743 SKXOLXVGBYDJDU-VCHYOVAHSA-N 279.299 2.637 50 50 CFGA COc1ccc(C)cc1NC(=O)[C@H](C)Br 16849151 QRMORLPITJKOOT-QMMMGPOBSA-N 272.142 2.726 50 50 CFGA CCc1ccccc1NC(=O)[C@H](C)Br 32919942 LWJAXGNJDOGSJL-QMMMGPOBSA-N 256.143 2.971 50 50 CFGA CN(C)c1ccc(C(=O)N/N=C/c2cccs2)cc1 438921 ZJWRCXBPQHVOKE-XNTDXEJSSA-N 273.361 2.578 50 50 CFGA O=C(CNc1ccccc1)N/N=C/c1ccc(Cl)cc1 3155816 KKLRIROOVQRHHX-VCHYOVAHSA-N 287.750 2.902 50 50 CFGA O=S1(=O)C[C@]23C=CC=C[C@]2(CCCC3)[C@H]1Cl 5105847 GPAIKHSCWSQBTK-TUAOUCFPSA-N 258.770 2.653 50 50 CFGA O=C(CCl)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 1875374993 NDGJNYQAELEMEQ-AAEUAGOBSA-N 267.756 2.509 50 50 CFGA O=C(CCl)N1CCOc2c1cccc2C(F)(F)F 1875375268 WTYVAFMVSSVGQV-UHFFFAOYSA-N 279.645 2.670 50 50 CFGA CCc1nc2c(s1)[C@H](N(C)C(=O)CCl)CCC2 1319921291 BCJWDDFVJQGCNL-SECBINFHSA-N 272.801 2.780 50 50 CFGA Cc1ccc(Nc2nc(N)nc(CCl)n2)c(C)c1 4608270 CAWSLWCTHBFCBC-UHFFFAOYSA-N 263.732 2.553 50 50 CFGA CN(C)NC(=O)NC1c2ccccc2-c2ccccc21 96026546 APPLKKKAUUCORT-UHFFFAOYSA-N 267.332 2.532 50 50 CFGA O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(O)cc1O 294374 ATMRFAJBWMCZCX-LZYBPNLTSA-N 290.706 2.515 50 50 CFGA COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 104267 CQZGQKZADZHJSK-OAHLLOKOSA-N 296.326 2.510 50 50 CFGA C/C(=N\NC(=O)Cc1ccccc1)c1ccccc1 4948998 UPYABWDNSQRJDJ-GHRIWEEISA-N 252.317 2.770 50 50 CFGA O=C(N/N=C/c1cccs1)c1cc(-c2ccccc2)n[nH]1 9044692 KCJKUBUCVBYYQZ-MHWRWJLKSA-N 296.355 2.902 50 50 CFGA Cc1ccsc1/C=N/NC(=O)C1[C@H]2CCCC[C@H]12 100311088 CIDCBBWDNYLPKG-AVVOLDSFSA-N 262.378 2.943 50 50 CFGA C[C@H]1c2cc(F)ccc2CCN1C(=O)[C@@H](C)Cl 1875364734 RZVMIZQDJMHHAS-BDAKNGLRSA-N 255.720 2.899 50 50 CFGA C[C@H](Cl)C(=O)N1[C@@H](C)COC[C@H]1c1ccccc1 1875376418 WMGYPWUBTQIBSF-GVXVVHGQSA-N 267.756 2.602 50 50 CFGA C[C@H](Cl)C(=O)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 1875375615 FZJAFBJNLBDCKH-GWCFXTLKSA-N 294.782 2.566 50 50 CFGA ClCc1nn(C2CCOCC2)c2ncccc12 1384881638 DKSVPURUPOWXBU-UHFFFAOYSA-N 251.717 2.522 50 50 CFGA C[C@@H](Cl)C(=O)N1CC[C@@]2(CCc3ccccc3O2)C1 1875375378 AVMPAEPEGVLHKA-ABAIWWIYSA-N 279.767 2.610 50 50 CFGA CCCC[C@H]1C[C@H]1C(=O)NNC(=O)Nc1ccccc1 2913605 PMMHXQHXGCAEMS-WCQYABFASA-N 275.352 2.666 50 50 CFGA N#CC(C#N)=Cc1cccn1CC(=O)c1ccccc1 257373332 WRVKWUUMYYUBNT-UHFFFAOYSA-N 261.284 2.802 50 50 CFGA C[C@@H](Cl)C(=O)N(Cc1cnn(C)c1)c1ccc(F)cc1 1875366941 BACXLKPHRBIJOV-SNVBAGLBSA-N 295.745 2.720 50 50 CFGA C[C@]1(c2ccccc2)CN(C(=O)C2CC(Cl)C2)CCO1 585131990 LXHCHUFHKSBVNE-LDZOIKDWSA-N 293.794 2.778 50 50 CFGA C=CCOc1ccccc1/C=N/NC(=O)CCCC 2325809696 YZWAXAPEJSXIJM-FOWTUZBSSA-N 260.337 2.892 50 50 CFGA COc1cccc(/C=N/NC(=O)C2CCCCC2)c1 511139 WMKLSWMDJZVWJC-LFIBNONCSA-N 260.337 2.726 50 50 CFGA N#C/C(=C\c1ccccc1Cl)C(=O)NC[C@@H]1CCCO1 289098 VQXZWQBZTYWICO-RPHSKFLZSA-N 290.750 2.542 50 50 CFGA COc1ccc(C(=O)N/N=C/c2cccs2)cc1 252656 KEUPGQYYQBPFDE-NTEUORMPSA-N 260.318 2.521 50 50 CFGA N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccc(F)cc1 76476 RCCOFOKSOMYESV-HNNXBMFYSA-N 281.290 2.626 50 50 CFGA COc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc1 252320701 NFBMOQRXFAPICQ-NJALCGSSSA-N 272.348 2.582 50 50 CFGA OB(O)c1ccccc1-c1ccc(-c2ccccc2)cc1 169744832 SNYOIUKSBGFPSV-UHFFFAOYSA-N 274.128 2.700 50 50 CFGA in-vitro CCOc1ccc(C(=O)N/N=C/c2ccccc2)cc1 65378 ISDVRJCVOAJCKZ-SFQUDFHCSA-N 268.316 2.849 50 50 CFGA COC(=O)N/N=C(\C)c1ccc(Br)cc1 5282490 ISWMQBRXADLWKE-KPKJPENVSA-N 271.114 2.529 50 50 CFGA O=C(CCl)N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 1875378073 VHXHDJDXEHSMJF-NWDGAFQWSA-N 289.709 2.620 50 50 CFGA C[C@@H](CCc1c(F)cccc1F)NC(=O)CCl 1875379310 PQDLGUWFIVOWAB-QMMMGPOBSA-N 261.699 2.641 50 50 CFGA COc1ccccc1/C=C/C=N/NC(=O)c1ccco1 2217971 XGWZJYHANXKEAW-LVVPDBGKSA-N 270.288 2.717 50 50 CFGA CCCCc1nnc(NC(=O)C(Cl)Cl)s1 2877346 YAYSHSYAJUWWQP-UHFFFAOYSA-N 268.169 2.623 50 50 CFGA O=C1OC(=O)[C@@H](c2ccccc2)[C@H]1c1ccccc1 100494129 UWDJRACNZVFLEC-OKILXGFUSA-N 252.269 2.637 50 50 CFGA C[C@@H](Cl)C(=O)Nc1cc(C(F)(F)F)ccn1 2325903741 UXXDMTAQUUMJCS-RXMQYKEDSA-N 252.623 2.666 50 50 CFGA CC(C)(C)c1cc(C(=O)N/N=C/c2ccc(F)cc2)[nH]n1 4572637 SADBIFKVDSJXRF-RQZCQDPDSA-N 288.326 2.610 50 50 CFGA O=C(NNC(=S)Nc1ccccc1)Nc1ccccc1 143201 MUDYJQGNHGRZBW-UHFFFAOYSA-N 286.360 2.710 50 50 CFGA CCc1c(C(=O)N/N=C/c2cccn2C)csc1C 2755245 VZSAWIXTWNMDPX-OVCLIPMQSA-N 275.377 2.721 50 50 CFGA C[C@@H](Br)C(=O)Nc1ccc(F)c(F)c1 41698825 RULSTPXTGNSBOD-RXMQYKEDSA-N 264.069 2.687 50 50 CFGA C[C@H](Cl)C(=O)N1CCc2ccc(OC(F)F)cc2C1 1875363931 DQCJFDGPVAVXPL-QMMMGPOBSA-N 289.709 2.800 50 50 CFGA C=CCc1cccc(/C=N/NC(=O)c2cccs2)c1O 228120 CPQLPKASEWSXCN-MHWRWJLKSA-N 286.356 2.946 50 50 CFGA O=C(N/N=C/c1ccc(O)cc1)c1cccc(Cl)c1 251031 GGGXZUYECRVJBH-CXUHLZMHSA-N 274.707 2.810 50 50 CFGA Cc1cccc(NC(=S)NNC(=O)c2ccccc2)c1 65689 YMLWXCUBVACUAQ-UHFFFAOYSA-N 285.372 2.626 50 50 CFGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccncc1 2294835 IUSNQNMDEAGGOT-AWEZNQCLSA-N 295.342 2.532 50 50 CFGA CCCc1n[nH]c2c1[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2 4312242 LQTRIWXIIWQBDN-ZDUSSCGKSA-N 298.321 2.719 50 50 CFGA O=C(NNC(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1ccccc1Cl 239235433 VYYSASPAEDDCKV-IWIIMEHWSA-N 292.766 2.537 50 50 CFGA CS(=O)(=O)c1ccc(CCl)c(C(F)(F)F)c1 19046019 PLMQGTUDXNINPI-UHFFFAOYSA-N 272.675 2.848 50 50 CFGA in-vitro CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc(C)c1 207833 HYPHURACKKXCLL-OAHLLOKOSA-N 298.342 2.640 50 50 CFGA C[C@H](Cl)OC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 238435076 ZFFVDDOGEJPYIX-SECBINFHSA-N 291.775 2.762 50 50 CFGA N#Cc1ccc(C(Br)Br)cn1 97957349 VRWSHCSJIMRNQG-UHFFFAOYSA-N 275.931 2.742 50 50 CFGA in-vitro Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NN)o2)c1 135533 QVTDSYMAVTWWGX-UHFFFAOYSA-N 288.347 2.894 50 50 CFGA CC(C)(C)[C@@H]1CCc2c(C(=O)NN)csc2C1 2754874 ADZMWTXQEPTOOS-MRVPVSSYSA-N 252.383 2.503 50 50 CFGA CC[C@@H](Br)C(=O)NCc1cccs1 32919954 MURYBZRJIPCWEW-MRVPVSSYSA-N 262.172 2.538 50 50 CFGA CC(C)(C)CCc1ncc2c(n1)CCN(C(=O)CCl)C2 1875369810 JMKYNAVVVCBPSH-UHFFFAOYSA-N 295.814 2.579 50 50 CFGA Cc1c(CN(C[C@H]2CC=CCC2)C(=O)CCl)cnn1C 1875374533 VLMODYBPMPUUFH-ZDUSSCGKSA-N 295.814 2.652 50 50 CFGA CNC(=O)/C(C#N)=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 16790551 OGQNTBFUBRUDRI-FLIBITNWSA-N 297.270 2.508 50 50 CFGA COc1cc(Br)cc2c1OCC(C#N)=C2 2599375 DEZLOCCCPMXTEQ-UHFFFAOYSA-N 266.094 2.757 50 50 CFGA N#C/C(=C\C=C\c1ccccc1)C(=O)N1CCCC1 1421057 IVDFPFRCLLSZDB-UJHPFZFGSA-N 252.317 2.772 50 50 CFGA C[C@@H](Cl)C(=O)N[C@H](Cc1ccccc1)c1ncco1 1875380292 KVLJMHUFDBLCKR-ZYHUDNBSSA-N 278.739 2.702 50 50 CFGA C[C@@H](O)C[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCl 1875381674 CXTFUEPMEGSIJB-GHMZBOCLSA-N 287.762 2.553 50 50 CFGA BrCc1cccc(CBr)n1 2556953 QUTSYCOAZVHGGT-UHFFFAOYSA-N 264.948 2.871 50 50 CFGA in-vitro COC(=O)c1ccc(OC(F)(F)[C@H](F)Cl)cc1 2162110 SFCNJUSRCUKGAU-VIFPVBQESA-N 268.618 2.979 50 50 CFGA C[C@H](NC(=O)CCl)c1ccc2ncsc2c1 1875389932 QIFUMZNZFFDFEB-ZETCQYMHSA-N 254.742 2.712 50 50 CFGA O=C(COc1cccc2ccccc12)N/N=C/c1ccco1 261350 AJMKADYTAYIFHJ-WOJGMQOQSA-N 294.310 2.962 50 50 CFGA O=C(CCc1cc2ccccc2[nH]1)N/N=C/c1ccncc1 431859 COKRFUYKPYIGPQ-XDHOZWIPSA-N 292.342 2.646 50 50 CFGA C[C@@]1(C(=O)NC2CCCCC2)C[C@H]1Br 2893100 OSVYCPYDMQUWLQ-MWLCHTKSSA-N 260.175 2.609 50 50 CFGA CC(C)c1cc(C(=O)N/N=C/c2cccn2C)cs1 2744024 DEXYGRFGFAIHSY-OVCLIPMQSA-N 275.377 2.974 50 50 CFGA O=C(N/N=C1/C[C@@H]2C=CC[C@H]12)[C@H]1C[C@@H]1c1ccccc1 245228016 YHEIMBVHBHKWFQ-RTLHMRDSSA-N 266.344 2.858 50 50 CFGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cccc(O)c1 246819 YURMMOWKNIVRFK-VCHYOVAHSA-N 293.326 2.946 50 50 CFGA O=C(N/N=C/c1ccccc1F)c1ccc(F)cc1 273660 FCTDIAIOIJHCIL-RQZCQDPDSA-N 260.243 2.729 50 50 CFGA Cc1ccsc1/C=N/NC(=O)c1cccs1 28547 FJLQPCRQLSAFGY-KPKJPENVSA-N 250.348 2.882 50 50 CFGA Cc1ccc(N2C(=O)S[C@@H](Br)C2=O)cc1 1425020 RCWUNZGKAFYEGC-MRVPVSSYSA-N 286.150 2.916 50 50 CFGA Cc1cc(NS(=O)(=O)c2ccc(N=C=S)cc2)no1 19737295 LTIWDUKNVMBOEM-UHFFFAOYSA-N 295.345 2.518 50 50 CFGA O=C(CCl)Nc1ccc(NC(=O)CCl)c(Cl)c1 3158867 JFXFXWJLQHFQKT-UHFFFAOYSA-N 295.553 2.695 50 50 CFGA Cc1ccc(/C=N/NC(=O)C2[C@@H]3CCCC[C@@H]23)cc1 100310882 OHDPYDLTXGTZGJ-DPOBWDHUSA-N 256.349 2.881 50 50 CFGA COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1 434628 YZSVYHGMBYPHSQ-RAXLEYEMSA-N 294.310 2.946 50 50 CFGA CCOc1ccccc1OCC(=O)N/N=C/c1ccccc1 129979 DRENUICQJXWKRE-LDADJPATSA-N 298.342 2.614 50 50 CFGA COc1ccc(C(=O)[C@H](C)Br)cc1OC 1747850 DFIFMYKGEATZJD-ZETCQYMHSA-N 273.126 2.670 50 50 CFGA Cc1cc(C(=O)N/N=C/C(Cl)=C/c2ccccc2)[nH]n1 263830 ZAKPTHWWVLVRKY-OOBCCFMBSA-N 288.738 2.714 50 50 CFGA C=CC(=O)N(Cc1ccccc1)NC(=O)OC(C)(C)C 169325681 FPYRLQBPXRLUTF-UHFFFAOYSA-N 276.336 2.641 50 50 CFGA O=C(Cl)c1ccccc1I 1845984 MVIVDSWUOGNODP-UHFFFAOYSA-N 266.465 2.670 50 50 CFGA N#CC1(C#N)[C@H]2/C=C\[C@H](Cl)/C=C\C=C/[C@H]2C1(C#N)C#N 101137859 HFLMZNCJCDHLAR-HRXQMJLVSA-N 280.718 2.589 50 50 CFGA COc1ccccc1O[C@H](C)C(=O)N/N=C/c1ccccc1 35653641 OKAZRDFPRPQFCX-RNEAKCBISA-N 298.342 2.613 50 50 CFGA C[C@H](Cl)C(=O)NC[C@@H](O)c1cc2ccccc2s1 1875364623 ZXDJYJWULWEDSQ-WCBMZHEXSA-N 283.780 2.678 50 50 CFGA N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(N)=O 101229 SCICCTQWOXUTCQ-JXMROGBWSA-N 272.691 2.992 50 50 CFGA Cc1ccc(/C=N/NC(=O)COc2cccc(C)c2)cc1 580504 CTPAVUIONDTUIQ-WOJGMQOQSA-N 282.343 2.833 50 50 CFGA COc1ccccc1/C=N/NC(=O)COc1ccccc1C 584668 GCCNVLIKUWWLBO-WOJGMQOQSA-N 298.342 2.533 50 50 CFGA N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(N)=O 732100 SJOFTAHNDSJAQA-UKTHLTGXSA-N 264.284 2.871 50 50 CFGA N#Cc1cccc([C@@H](NC(=O)CCl)C(F)(F)F)c1 1118978826 PBFYMVCJJGZMMY-SNVBAGLBSA-N 276.645 2.517 50 50 CFGA C[C@@]1(c2ccc3c(c2)OCO3)O[C@H](CCl)CS1 1766749 DWLXQAAZOXWLKI-BXKDBHETSA-N 272.753 2.959 50 50 CFGA Cc1cccc(C)c1N(Cn1cccn1)C(=O)CCl 900592 STEPQTYSZVCJPV-UHFFFAOYSA-N 277.755 2.729 50 50 CFGA biogenic,in-vitro N#CC1(C#N)[C@H]2C=CC=C[C@@H](Cl)C=C[C@@H]2C1(C#N)C#N 1501065321 HFLMZNCJCDHLAR-AGIUHOORSA-N 280.718 2.589 50 50 CFGA COc1ccccc1/C=N/NC(=O)COc1ccc(C)cc1 584745 WVMRJZAJWHVCKU-WOJGMQOQSA-N 298.342 2.533 50 50 CFGA COc1ccc(OCC(=O)N/N=C/c2ccc(C)cc2)cc1 381230 YXVRICLKACBHMD-WOJGMQOQSA-N 298.342 2.533 50 50 CFGA C=CCOc1ccc(C(=O)N/N=C/c2ccccc2O)cc1 2900890 AHURTXOGMJQLLH-LDADJPATSA-N 296.326 2.721 50 50 CFGA CC1CCC(=NNC(=O)COc2ccccc2)CC1 4366600 FMCOOYZMTOOGIX-UHFFFAOYSA-N 260.337 2.748 50 50 CFGA CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2OC(=O)C[C@@H]2[C@H]1C=O 195840852 CLCQNBJFWQERSS-WISYIIOYSA-N 284.428 2.527 50 50 CFGA in-vitro BrCCOCCOCc1ccccc1 144862101 RDDYCZVOXLQKMX-UHFFFAOYSA-N 259.143 2.615 50 50 CFGA COc1cccc(C(=O)N/N=C/c2ccccc2F)c1 244446 BTWAAJVQGULSAX-LICLKQGHSA-N 272.279 2.598 50 50 CFGA C=CC[C@H]1CC[C@@]2(CCCO2)C(=O)[C@@H]1Br 36429123 GRKMLTJAWCYZCM-UMNHJUIQSA-N 273.170 2.854 50 50 CFGA CC(C)OC(=O)N[C@H](N=C=S)C(Cl)(Cl)Cl 3129844 PFIWHFZQOJGAGN-YFKPBYRVSA-N 291.587 2.920 50 50 CFGA C[C@@H](Cl)C(=O)Nc1ccc2c(c1)oc(=O)n2CC1CC1 1875367321 XGPOIUKPKLJCBV-MRVPVSSYSA-N 294.738 2.570 50 50 CFGA C[C@H](Cl)C(=O)N1Cc2ccoc2CC(C)(C)C1 1875368054 MFSSEGZIIAOIKH-VIFPVBQESA-N 255.745 2.818 50 50 CFGA CCOc1ccc(NC(=O)[C@H](C)Br)cc1 12411871 TYDDFVJJCATOIN-QMMMGPOBSA-N 272.142 2.807 50 50 CFGA in-vitro CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CCl 2244154 GFGQSTIUFXHAJS-STQMWFEESA-N 299.798 2.722 50 50 CFGA O=C1OC(=O)C2=C1SC[C@@H](c1ccccc1)S2 100817958 LAWYVMVHYXFMHX-QMMMGPOBSA-N 264.327 2.503 50 50 CFGA NNC(=O)c1ccc(COc2cccc(Cl)c2)cc1 2578476 KAHZZALCMJGSFS-UHFFFAOYSA-N 276.723 2.523 50 50 CFGA N#Cc1ccc(NC(=O)NCCCl)cc1C(F)(F)F 263623714 JYXJWEULVVJLEO-UHFFFAOYSA-N 291.660 2.937 50 50 CFGA CCC(C)(C)CN(C(=O)CCl)[C@@H](C)Cc1cnn(C)c1 1875382638 KMFMIVZZZPAIGX-LBPRGKRZSA-N 299.846 2.855 50 50 CFGA C[C@@H](Cl)C(=O)NCCC1Cc2ccccc2C1 1875377571 HHRJHBZFFHWFGK-SNVBAGLBSA-N 251.757 2.535 50 50 CFGA O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)[C@@H](F)Cl 1875362137 SNSBLHPKBZXGAN-FBIMIBRVSA-N 259.683 2.722 50 50 CFGA COc1cccc(-c2cc(C(=O)NN)c3ccccc3n2)c1 2770293 PLHPNYOTIABGDN-UHFFFAOYSA-N 293.326 2.514 50 50 CFGA O=C(O)C12C[C@@H]3CC(C[C@H](C3)C1)[C@H]2Br 138248628 WHNYCVXNHIOFPE-PHKAARJASA-N 259.143 2.661 50 50 CFGA CC(C)(C)OC(=O)N/N=C(\N)COc1ccccc1Cl 43769298 KYQBXDZGDMJGIR-UHFFFAOYSA-N 299.758 2.516 50 50 CFGA CC(C)(C)C(=O)OCCCCI 36469411 MGIGUULSKMFMTP-UHFFFAOYSA-N 284.137 2.791 50 50 CFGA in-vitro CCOC(=O)/C(C#N)=C/c1c[nH]c2ccc(OC)cc12 44122778 JXVFNKBVWLOQSR-UXBLZVDNSA-N 270.288 2.647 50 50 CFGA Cc1ccccc1C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 250686 LVJYRSTUIVFGEH-MHWRWJLKSA-N 283.287 2.667 50 50 CFGA C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1cc[nH]n1 1875252862 KRTSXHVEKSSDND-FRKPEAEDSA-N 297.145 2.871 50 50 CFGA C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1cccc(O)c1 585145707 YJUPDVAOGVPEBO-WXHNGTRTSA-N 284.359 2.994 50 50 CFGA CCc1cccc(NC(=O)NNC(=O)c2ccoc2C)c1 225851589 QJOBPFDYCRPMEV-UHFFFAOYSA-N 287.319 2.617 50 50 CFGA CC(C)(C)[C@H]1CCc2cc(C(=O)NN)sc2C1 19737276 SXQVIBXIOIDPAU-VIFPVBQESA-N 252.383 2.503 50 50 CFGA O=C(CCC(F)(F)F)OC(=O)CCC(F)(F)F 80387747 SLOWZJDVDAAHJX-UHFFFAOYSA-N 266.137 2.741 50 50 CFGA C[C@H](Cl)C(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C 1875364439 MSJIFIHQTKHKEL-QISWUMQESA-N 267.756 2.683 50 50 CFGA CCC(CC)c1cc(CNC(=O)[C@@H](C)Cl)on1 1875364761 SWGZAOLTZVAEAC-MRVPVSSYSA-N 258.749 2.822 50 50 CFGA Cc1nc(-c2ccc(NC(=O)[C@@H](C)Cl)cc2)no1 1875367495 IGBVKDJEWMODMC-SSDOTTSWSA-N 265.700 2.611 50 50 CFGA Cc1ccc(SCC(=O)N/N=C/c2ccco2)cc1 450046 LOSNIAHASJMVBY-OQLLNIDSSA-N 274.345 2.830 50 50 CFGA CN(CCCl)C1CCN(Cc2ccccc2)CC1 309794238 POKHRPBBSWJXFS-UHFFFAOYSA-N 266.816 2.822 50 50 CFGA COc1ccc(-n2ncc(C(=O)Cl)c2C)cc1 2582854 BJGXXQTZIKOIGR-UHFFFAOYSA-N 250.685 2.568 50 50 CFGA C[C@@]1(C(=O)NC2CCCCC2)C[C@@H]1Br 2893102 OSVYCPYDMQUWLQ-GXSJLCMTSA-N 260.175 2.609 50 50 CFGA O=C1OC(=O)c2ccc(Br)c3cccc1c23 8438954 DTUOTSLAFJCQHN-UHFFFAOYSA-N 277.073 2.913 50 50 CFGA C[C@@H](Oc1ccccc1Br)C(=O)Cl 40451431 BIHQKVLZTJDZQP-ZCFIWIBFSA-N 263.518 2.982 50 50 CFGA CCSC1=C(C#N)[C@H](c2ccc(F)cc2)CC(=O)N1 9320707 FKBHMIPYYQILMV-NSHDSACASA-N 276.336 2.917 50 50 CFGA C=C(C)[C@H](NC(=O)CCl)c1ccc(F)c(F)c1 1875378129 WDGFPQIBOAEYJB-LBPRGKRZSA-N 259.683 2.937 50 50 CFGA COc1ccc(/C=N/NC(=O)c2cccs2)cc1 246639 KHSDHNLRCZZBNZ-NTEUORMPSA-N 260.318 2.521 50 50 CFGA Cc1ccc(OCC(=O)N/N=C\C=C\c2ccco2)cc1 15974457 ZLIKBJDOAKQJLS-IHGSSGOFSA-N 284.315 2.782 50 50 CFGA Cc1ccccc1OCC(=O)N/N=C/c1cccs1 433249 VKMATNPOIVEASF-OQLLNIDSSA-N 274.345 2.586 50 50 CFGA Oc1cc(CCl)nc2cc(-c3ccccc3)nn12 9260976 MHYZKSCDVUNRTA-UHFFFAOYSA-N 259.696 2.841 50 50 CFGA O=C(N/N=C\c1ccccc1O)c1ccc(Cl)cc1 17041571 OPSHLMMLTBIYMH-SXGWCWSVSA-N 274.707 2.810 50 50 CFGA N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1cccs1 196754 GFKDURCPRUHGLE-ZDUSSCGKSA-N 269.329 2.548 50 50 CFGA Cc1ccc(N2C(=O)S[C@H](Br)C2=O)cc1 1425019 RCWUNZGKAFYEGC-QMMMGPOBSA-N 286.150 2.916 50 50 CFGA C/C(=N\NC(=O)Nc1ccccc1)c1ccccc1O 12362404 RYXOJUSBPPXAGH-GZTJUZNOSA-N 269.304 2.938 50 50 CFGA C/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1 13512456 UTNUDOFZCWSZMS-YFHOEESVSA-N 270.210 2.999 50 50 CFGA fda COC(=O)c1cccc(SC#N)c1Br 307051840 NZTAPWAZSGWAPO-UHFFFAOYSA-N 272.123 2.809 50 50 CFGA CCO[Si](CCCN(CC)CC)(OCC)OCC 196830354 BVBBZEKOMUDXMZ-UHFFFAOYSA-N 277.481 2.767 50 50 CFGA COC(=O)/C(C#N)=C\C=C\C=C\c1ccc(N(C)C)cc1 1775953801 VUICGFIMDGFKFH-FGHSSWIZSA-N 282.343 2.945 50 50 CFGA C/C(=N/NC(=O)COc1ccc(C)cc1)c1cccs1 16667619 BPCALZQUOIPCME-VBKFSLOCSA-N 288.372 2.976 50 50 CFGA CCc1n[nH]c2c1[C@@H](C1CCCCC1)C(C#N)=C(N)O2 155505 IJNLOQMPFVOIBQ-LBPRGKRZSA-N 272.352 2.722 50 50 CFGA Cc1ccccc1NCC(=O)N/N=C\c1ccccc1 32142904 RZVQWKDADZGHEC-WQRHYEAKSA-N 267.332 2.557 50 50 CFGA CCC[C@H](CC)C(=O)NCCSSCCC(=O)O 1875354676 LEOASCJCQLZXMM-JTQLQIEISA-N 293.454 2.785 50 50 CFGA CCOC(=O)C[C@H](NC(=O)CCl)C1CCCCCC1 1616034322 ZOSRCLLBPUTJCG-LBPRGKRZSA-N 289.803 2.634 50 50 CFGA COc1cccc(/C(C)=N/NC(=O)Cc2cccs2)c1 5034548 VRIXGVXZSDWFON-LFIBNONCSA-N 288.372 2.840 50 50 CFGA OB(O)c1ccc2c3ccccc3c3ccccc3c2c1 169747515 PXFBSZZEOWJJNL-UHFFFAOYSA-N 272.112 2.826 50 50 CFGA COc1ccccc1NC(=O)[C@@H](Cl)C(=O)C(C)(C)C 101363346 YIVNBMGSPPKYIS-NSHDSACASA-N 283.755 2.856 50 50 CFGA Cc1ccc(C)c2c1CC[C@@]13CC=CC[C@@]21C(=O)OC3=O 101050635 MIMMUOMRPXKYRE-MSOLQXFVSA-N 282.339 2.907 50 50 CFGA COc1ccc2c(c1)C(=O)[C@H](Br)CC2 4582760 WHEBCCJXJLNMGZ-SNVBAGLBSA-N 255.111 2.588 50 50 CFGA in-vitro C[C@H]1CCCC/C1=N/NC(=O)CNc1ccc(F)cc1 100390159 CUZQOIXOJKFBDI-WMEZLHQCSA-N 277.343 2.920 50 50 CFGA Nc1ccc(C(F)(F)F)nc1CBr 263622919 CBJVQHWAWCBYST-UHFFFAOYSA-N 255.037 2.578 50 50 CFGA Cc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1 381224 ROEUYMPPPIJWHQ-WOJGMQOQSA-N 282.343 2.833 50 50 CFGA OB(O)c1cccc(-c2ccc(-c3ccccc3)cc2)c1 204907346 MKYMRPWGXSEFKE-UHFFFAOYSA-N 274.128 2.700 50 50 CFGA C=CCN(C(=O)[C@H](C)Br)c1ccccc1 45796287 PSNMYTKUAKRLJM-JTQLQIEISA-N 268.154 2.989 50 50 CFGA CC(C)c1ccc(OCc2cccc(C(=O)NN)c2)cc1 370160 SLNUSFMZNOPQAD-UHFFFAOYSA-N 284.359 2.993 50 50 CFGA O=C(N/N=C/c1cccc(O)c1)c1cccc(Cl)c1 297283 RJLJKHDNRMSFQN-CXUHLZMHSA-N 274.707 2.810 50 50 CFGA N#C/C(=C\c1cccc(O)c1)C(=O)NC1CCCCC1 442079 KQZVZLBNHAPQHA-UKTHLTGXSA-N 270.332 2.748 50 50 CFGA O=C1OC(=O)[C@]23CCCC[C@@]12CCc1ccccc13 101092898 TYGUCZXHJGCPKQ-HZPDHXFCSA-N 256.301 2.514 50 50 CFGA O=C(N/N=C/c1cccnc1)c1ccc(-n2cccc2)cc1 372835 NPZACKLMHLTJRC-CPNJWEJPSA-N 290.326 2.636 50 50 CFGA Cc1cccc(NC(=O)/C(C#N)=C\c2cccnc2)c1 5059046 ZMVRPVOIQALION-ZROIWOOFSA-N 263.300 2.936 50 50 CFGA N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1cccs1 196756 GFKDURCPRUHGLE-CYBMUJFWSA-N 269.329 2.548 50 50 CFGA N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccc(F)c(F)c1 207730 PRDOCKGPOGBRNF-OAHLLOKOSA-N 299.280 2.765 50 50 CFGA CC(C)(C)OC(=O)NNC(=O)c1ccc(Cl)cc1 2965655 ASVUBLFTLJVCJU-UHFFFAOYSA-N 270.716 2.510 50 50 CFGA C[C@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)NN 6249387 CBIXTMKFLPNLBN-ZDUSSCGKSA-N 298.386 2.770 50 50 CFGA C[C@@H](Cl)C(=O)N1CC[C@H](c2ccc(F)c(F)c2)C1 1875369846 LZAKKIMEGCGIBH-SCZZXKLOSA-N 273.710 2.908 50 50 CFGA O=C(NCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 6096337 OCAOEODBVXZHNZ-UHFFFAOYSA-N 272.260 2.883 50 50 CFGA in-vitro C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccsc1 242183 CONOLWSHXZQCFE-OQPBUACISA-N 286.356 2.809 50 50 CFGA Cc1ccc(C(=O)N/N=C/c2ccccc2O)s1 370789 UQGOBBGCCMVINB-RIYZIHGNSA-N 260.318 2.526 50 50 CFGA C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)[C@@H](C)Cl 1875377323 CAKXUTZMWQFORY-NXEZZACHSA-N 296.773 2.992 50 50 CFGA C/C(=N\NC(=O)c1cc(C(C)C)n[nH]1)c1ccc(C)cc1 6025245 ZAXKRNJHCSQEAH-SFQUDFHCSA-N 284.363 2.996 50 50 CFGA COc1ncc(Br)cc1CBr 238398996 QQMREEGCEQGHSA-UHFFFAOYSA-N 280.947 2.748 50 50 CFGA COc1cccc(-c2cnc([C@H](C)NC(=O)CCl)[nH]2)c1 1875363688 RYVKQVABYUFUQJ-VIFPVBQESA-N 293.754 2.501 50 50 CFGA CC/C(=N\NC(=O)Cc1cccs1)c1ccc(O)cc1 13689194 NZEYQODRPRGWEP-JQIJEIRASA-N 288.372 2.927 50 50 CFGA FC(F)(F)C1(C(F)(F)F)[C@H]2C[C@H]3[C@@H]([C@@H]2Cl)N31 217506493 KTZIHWKLLROSMN-MZPMUGIBSA-N 265.584 2.544 50 50 CFGA C[C@H](Cl)C(=O)N1CCC[C@@H]1C[C@H](O)c1cccs1 1875364243 LQEQYKHBTDEXGP-AXFHLTTASA-N 287.812 2.790 50 50 CFGA Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)CCl 1875366493 ONEGIWPRQMWMPS-VIFPVBQESA-N 272.801 2.569 50 50 CFGA CC(C)(C)n1nc2c(c1NC(=O)[C@@H](F)Cl)CSC2 2325901660 RATOFVAVAMGXSK-MRVPVSSYSA-N 291.779 2.858 50 50 CFGA COc1ccccc1C(=O)N/N=C/c1c[nH]c2ccccc12 4829312 NBSCXBJCCKOGPU-YBFXNURJSA-N 293.326 2.940 50 50 CFGA O=C(CBr)c1ccc(OC(F)F)cc1 86658 JMUKUVDYZQDUSP-UHFFFAOYSA-N 265.053 2.866 50 50 CFGA in-vitro COc1ccccc1-c1cc(C(=O)NN)c2ccccc2n1 2769644 JDFQVZUUDLLYGO-UHFFFAOYSA-N 293.326 2.514 50 50 CFGA Cc1ccsc1C(=O)N/N=C/c1cccc(O)c1 371280 CKUHUPCTTODTNQ-RIYZIHGNSA-N 260.318 2.526 50 50 CFGA CC[C@@H](NC(=O)CCl)[C@H](O)c1ccc(Cl)cc1 1875379817 XQHFBEOIZXHTQZ-ZYHUDNBSSA-N 276.163 2.507 50 50 CFGA CO[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 1641892 SXYIRMFQILZOAM-GBRFYLJVSA-N 298.379 2.841 50 50 CFGA biogenic C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1F 241448 UBCRJVJDTNSKIO-RFAUZJTJSA-N 298.317 2.886 50 50 CFGA CC(C)(C)OC(=O)N1CCC[C@]1(CO)CCCCl 214475882 YPFVNRTWHREQCU-ZDUSSCGKSA-N 277.792 2.767 50 50 CFGA CCOC(=O)NNc1ncc(C(F)(F)F)cc1Cl 77904 CTHHLHYRJLQKPF-UHFFFAOYSA-N 283.637 2.827 50 50 CFGA O=C(NCCCl)Nc1ccc(Br)cc1 1699666 WEBSBVNASIARDC-UHFFFAOYSA-N 277.549 2.809 50 50 CFGA O=C(c1ccccc1)[C@@H](Cl)S(=O)(=O)c1ccccc1 196666455 SIHHNFVNKICLHI-AWEZNQCLSA-N 294.759 2.908 50 50 CFGA Cc1cc(CN(C(=O)CCl)c2ccc(F)cc2)nn1C 1875375619 FZKMDKPKTPXEPP-UHFFFAOYSA-N 295.745 2.640 50 50 CFGA CCOc1ccc(Cn2ccnc2CCl)cc1[N+](=O)[O-] 332539 JVFILLADEGHKNM-UHFFFAOYSA-N 295.726 2.977 50 50 CFGA Cc1cc(C(=O)N/N=C/c2cccs2)cs1 2749294 SQAHLTONAGKBIB-WUXMJOGZSA-N 250.348 2.882 50 50 CFGA Cc1cccc(O[C@@H](C)C(=O)N/N=C/c2ccccc2)c1 137025 KTWPHBSDJWGMJB-QCUKBLKESA-N 282.343 2.913 50 50 CFGA Cc1ccc(P(=O)(CO)c2ccc(C)cc2)cc1 295769 KLVYQZVFJKZTFS-UHFFFAOYSA-N 260.273 2.567 50 50 CFGA COc1ccc(CNC(=O)CCl)c(C(F)(F)F)c1 1320466165 FSAQNLAWEVPFQY-UHFFFAOYSA-N 281.661 2.569 50 50 CFGA COC(=O)[C@H](Br)c1cccc(Cl)c1 82571823 KJOCXNLVYWTJLL-MRVPVSSYSA-N 263.518 2.949 50 50 CFGA in-vitro Br[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1Br 166603353 QMXMUMFLBFAAGK-VWDOSNQTSA-N 251.949 2.719 50 50 CFGA CCOC(=O)/C(C#N)=C/c1ccc(F)cc1Cl 4542971 ORHSHKJKUOICGL-WEVVVXLNSA-N 253.660 2.949 50 50 CFGA CCOC(=O)/C(C#N)=C/c1ccccc1Br 28391 XJDUYGRZQWFBHZ-JXMROGBWSA-N 280.121 2.919 50 50 CFGA biogenic,in-vitro COc1ccccc1/C=N/NC(=O)C1CCCCC1 511101 WNXYDISPVYHIJV-LFIBNONCSA-N 260.337 2.726 50 50 CFGA N#C/C(=C\c1cc(C(F)(F)F)ccc1F)C(=O)O 2546557 KFLRESNSGIBJND-XVNBXDOJSA-N 259.158 2.836 50 50 CFGA CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cnn[nH]2)cc1 1775999272 GVWMKHYVEHRCRB-JYVXZMADSA-N 295.346 2.864 50 50 CFGA O=C(CCl)Cc1ccc(F)cc1Br 307045054 YVNQETGSRRNXMD-UHFFFAOYSA-N 265.509 2.939 50 50 CFGA Cc1ccc2[nH]c(C)c(CC(=O)N/N=C/c3ccc[nH]3)c2c1 433402 UTVFMAQEFSGAFY-VXLYETTFSA-N 294.358 2.806 50 50 CFGA O=C(COc1ccccc1)N/N=C/C=C/c1ccccc1 2766278 BBNLLWIEIVTYBA-CVUDBVLYSA-N 280.327 2.881 50 50 CFGA C[C@H]1C=C[C@@H](C)[C@@]23CCc4ccccc4[C@]12C(=O)OC3=O 257357326 NKYDTFPGUPBBDS-RTRLTSMRSA-N 282.339 2.782 50 50 CFGA O=C(N/N=C/c1c[nH]c2ccccc12)c1ccccc1O 242745 UFZJBFOFFCCFQW-VCHYOVAHSA-N 279.299 2.637 50 50 CFGA COc1ccc(OCCCI)cc1 12957431 GTYRCWMYISITHE-UHFFFAOYSA-N 292.116 2.899 50 50 CFGA in-vitro N#Cc1c(NC(=O)CCl)sc2c1CCCC2 40333 XXINNDRXRUKLDT-UHFFFAOYSA-N 254.742 2.676 50 50 CFGA biogenic CCc1ccc(NC(=O)[C@H](C)Br)cc1 41706918 YTMDPJNHPCMSOS-QMMMGPOBSA-N 256.143 2.971 50 50 CFGA O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(O)cc1 288570 OVGIAZXUOJFKCW-CXUHLZMHSA-N 274.707 2.810 50 50 CFGA O=C(CCl)N([C@H]1CCOC1)[C@@H]1CCCc2occc21 1875382559 GYXPGMOIFRSUEE-CMPLNLGQSA-N 283.755 2.513 50 50 CFGA CCc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCCC3)cc1 5353874 JWWYFHOPSVVRJF-WOJGMQOQSA-N 296.374 2.615 50 50 CFGA O=S(=O)(c1ccc(N=C=S)cc1)N1CCCCC1 2571390 PMPSZAXEUCIVDC-UHFFFAOYSA-N 282.390 2.596 50 50 CFGA CCCC[C@H](Br)C(=O)Br 4529461 CSFUYRGXBNPTSR-YFKPBYRVSA-N 257.953 2.862 50 50 CFGA biogenic Cc1ccc(C(=O)Cl)cc1I 95938147 JCOQBCLTGOENLA-UHFFFAOYSA-N 280.492 2.979 50 50 CFGA O=C(N/N=C/C=C/c1ccco1)c1ccccc1[N+](=O)[O-] 2280799 HUQCWPZGIUFGJJ-GTXXEFQVSA-N 285.259 2.617 50 50 CFGA O=C(CCl)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 4610606 PISCNZOQCXLEAX-UHFFFAOYSA-N 299.713 2.639 50 50 CFGA in-vitro O=C(NNc1cccc(Cl)n1)c1c(F)cccc1F 1395801 IWZFGZSUNIDJDG-UHFFFAOYSA-N 283.665 2.770 50 50 CFGA N#CC(=C1NCCCN1)c1nc2cc(Cl)ccc2s1 170610662 YUVMRPJJGKUSBW-UHFFFAOYSA-N 290.779 2.725 50 50 CFGA Cc1ccc(C(=O)N/N=C\c2ccc(Br)o2)o1 5008672 MQDHEXZBFIBKBS-MLPAPPSSSA-N 297.108 2.707 50 50 CFGA ClC[C@H](Br)[C@@H](Br)CCl 1685299 FPPZFTLHBVZMCA-IMJSIDKUSA-N 284.806 2.991 50 50 CFGA O=[S@@]1Nc2ccc(Br)cc2S1 5809711 QCAVOIFYYYBGOQ-LLVKDONJSA-N 250.142 2.545 50 50 CFGA NNC(=O)c1sc2cccc(Cl)c2c1Cl 442820 HSSHUDKWJRJKPV-UHFFFAOYSA-N 261.133 2.812 50 50 CFGA in-vitro CC(C)CCn1nc(CNC(=O)CCl)c2ccccc21 1875374826 GOBOVYZACPTDLX-UHFFFAOYSA-N 293.798 2.937 50 50 CFGA O=C1OOC(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 332310 ROYRHFSVGIEUEI-KBPBESRZSA-N 268.268 2.569 50 50 CFGA OB(O)c1cccc(N(c2ccccc2)c2ccccc2)c1 218894750 MYCPKZJMLZZINQ-UHFFFAOYSA-N 289.143 2.836 50 50 CFGA CN(C)c1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)o1 225109393 RJTBTWJQVJQZGT-CGFDGRMOSA-N 289.379 2.622 50 50 CFGA Cc1cc(NC(=O)[C@H](C)Cl)cnc1N1CCCCC1 1875366496 PHLOXXRIZPLXGC-NSHDSACASA-N 281.787 2.946 50 50 CFGA O=C1OC(=O)C(c2ccccc2)=C1c1ccccc1 59900608 OUJCFCNZIUTYBH-UHFFFAOYSA-N 250.253 2.681 50 50 CFGA in-vitro Cc1scc(C(=O)N/N=C/c2cccnc2)c1C 372693 KEGJKGROWRWHHD-VIZOYTHASA-N 259.334 2.524 50 50 CFGA COC(=O)c1c(NC(=O)CCCl)sc(C)c1C 2027823 UFFZNZZEDRGLMS-UHFFFAOYSA-N 275.757 2.719 50 50 CFGA CCCc1n[nH]c2c1[C@H](c1ccccc1C)C(C#N)=C(N)O2 619815 LZXQMZZYESOQKG-CQSZACIVSA-N 294.358 2.889 50 50 CFGA CCN(CCBr)C(=O)OC(C)(C)C 136529888 AIPLAHZRPDQTLJ-UHFFFAOYSA-N 252.152 2.638 50 50 CFGA Cc1cccc(C)c1OCC(=O)NN=Cc1ccc(O)cc1 252320596 CPVXUOKSQNPNBY-UHFFFAOYSA-N 298.342 2.538 50 50 CFGA COC(=O)c1[nH]c2ccc(F)cc2c1N=C=S 1775972901 BOIAWFYAJFYOAI-UHFFFAOYSA-N 250.254 2.828 50 50 CFGA CC(C)OC1CCN(C(=O)[C@H]2CCCSS2)CC1 1875388400 ZYYWJRMYFRBAES-GFCCVEGCSA-N 289.466 2.946 50 50 CFGA COc1ccc([C@H]2C[C@H](NC(=O)[C@@H](C)Cl)C2)cc1F 1875376164 NRLXSIIMEINPOK-FBIMIBRVSA-N 285.746 2.824 50 50 CFGA CC(C)OC(=O)N[C@@H](N=C=S)C(Cl)(Cl)Cl 3129845 PFIWHFZQOJGAGN-RXMQYKEDSA-N 291.587 2.920 50 50 CFGA CCCSC1=C(C#N)C2(CCCC2)C(C#N)=C(N)N1 3898591 HGSDUTXMEMRDHR-UHFFFAOYSA-N 274.393 2.722 50 50 CFGA CC(C)(C)OC(=O)N1CCC[C@@]1(CO)CCCCl 214475935 YPFVNRTWHREQCU-CYBMUJFWSA-N 277.792 2.767 50 50 CFGA N#Cc1cccc([C@H](NC(=O)CCl)C(F)(F)F)c1 1118978825 PBFYMVCJJGZMMY-JTQLQIEISA-N 276.645 2.517 50 50 CFGA COc1ccc(/C=C(/C#N)C(=O)OCC(C)C)cc1OC 4831632 JNMQVBPNSVYNHK-QPEQYQDCSA-N 289.331 2.810 50 50 CFGA COc1ccc2c(CBr)cc(=O)oc2c1 57729 CTENSLORRMFPDH-UHFFFAOYSA-N 269.094 2.697 50 50 CFGA biogenic,in-vitro C[C@@H](Cl)C(=O)N1CCC[C@H]1c1cccc2c1OCCO2 1875364822 UYOIWRWUPUAWSL-PWSUYJOCSA-N 295.766 2.749 50 50 CFGA N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccco2)[C@H]2CCCC=C12 19787261 DMVSJYJUZKLOEX-SWLSCSKDSA-N 290.326 2.873 50 50 CFGA C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccs1 242049 MXQTZVCPHTVGKL-AMIZOPFISA-N 286.356 2.809 50 50 CFGA Br[C@@H]1[C@H]2C[C@H]3[C@H]1[N@+]3(Cc1ccccc1)C2 255004276 XHYJGHLAIHMIPV-RLPMIEJPSA-N 265.174 2.551 50 50 CFGA Cc1ccc(C)n1C1CCC(NC(=O)CCl)CC1 1875364553 NXJYPZIUVSXFFJ-UHFFFAOYSA-N 268.788 2.944 50 50 CFGA O=C(Cc1c[nH]c2ccccc12)N/N=C/c1cccc(F)c1 439949 SHXCMBQPXATVOB-KEBDBYFISA-N 295.317 3.000 50 50 CFGA C/C(=N/NC(=O)c1ccccn1)c1c[nH]c2ccccc12 4737847 LWIGRCMNENVWAL-ODLFYWEKSA-N 278.315 2.717 50 50 CFGA CC[C@@H]1[C@@H]2C[C@@H](C)CC=C2C(C#N)=C(N)C1(C#N)C#N 106233594 ILTQEXWFTNKXCI-ZKYQVNSYSA-N 266.348 2.769 50 50 CFGA CCCSC1=C(C#N)[C@@H](c2ccco2)CC(=O)N1 2848777 BCZROMQITCSXII-VIFPVBQESA-N 262.334 2.761 50 50 CFGA CCCN1CCN(C(=O)[C@@H](F)Cl)c2cc(F)ccc21 2325898213 XBRWALFMLURAOZ-GFCCVEGCSA-N 288.725 2.923 50 50 CFGA O=C([C@@H](F)Cl)N1CCN(C2CC2)c2c(F)cccc21 2325898511 IADRPMUEAICUFF-GFCCVEGCSA-N 286.709 2.676 50 50 CFGA O=C(Cl)CC(=O)Cc1ccc(C(F)(F)F)cc1 263624329 PJSIATJTQJNJHQ-UHFFFAOYSA-N 264.630 2.973 50 50 CFGA Cc1ccccc1CN[C@H]1C[N+]2(CCl)CCC1CC2 1776003439 PFMGGCCILPPMBN-RCDNUKIMSA-N 279.835 2.890 50 50 CFGA CCOc1ccc(C(=O)N/N=C/c2cccc(OC)c2)cc1 437681 OSXRZMZIIRECNA-LDADJPATSA-N 298.342 2.858 50 50 CFGA C[C@H](Br)C(=O)Nc1ccc(F)c(F)c1 41698824 RULSTPXTGNSBOD-YFKPBYRVSA-N 264.069 2.687 50 50 CFGA CC(C)(C)OC(=O)N1CC(c2ocnc2CCl)C1 1536221506 LWLVRBUSQDNMEN-UHFFFAOYSA-N 272.732 2.748 50 50 CFGA CC1(C)OB(c2ccc(CCl)cc2)OC1(C)C 169904297 BCRBYHCRLQCNNV-UHFFFAOYSA-N 252.550 2.725 50 50 CFGA COc1ccccc1/C=C/C=N/NC(=O)c1ccncc1 2057352 YETMBJKXXXQJMA-SRFURKKRSA-N 281.315 2.519 50 50 CFGA O=C(N/N=C/[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1C[C@H]2CC[C@H]1C2 101787710 SETCSWXEUHFLEF-ULLSBVDFSA-N 260.381 2.961 50 50 CFGA O=C(Cl)c1cnc(Cl)c(Br)c1 117180099 UNNQINQRAPGCBF-UHFFFAOYSA-N 254.898 2.877 50 50 CFGA COC(=O)c1ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc1 2561757 SWPFMOGPLAARRE-UKTHLTGXSA-N 271.316 2.995 50 50 CFGA CN(NC(=O)[C@H]1CCOc2ccccc21)c1ccccc1 728209099 YEESZWJTLPIAGY-HNNXBMFYSA-N 282.343 2.720 50 50 CFGA N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccsc1 208000 PHLLNPFXPWAUAC-ZDUSSCGKSA-N 269.329 2.548 50 50 CFGA O=C(NC1C2CC3CC(C2)CC1C3)C(Cl)Cl 458457 QSJMBGYFWRBKPU-UHFFFAOYSA-N 262.180 2.731 50 50 CFGA COc1cc(Cl)c(NC(=O)CCl)c(OC)c1 74941658 DBJCSVHOLPSERJ-UHFFFAOYSA-N 264.108 2.535 50 50 CFGA CCOC(=O)c1[nH]c2c(c1C)C(Cl)=C(C=O)CC2 281934 DIVVAQYRKSZEEW-UHFFFAOYSA-N 267.712 2.595 50 50 CFGA O=C(Cl)CC(=O)Cc1cccc(C(F)(F)F)c1 263625252 YBRFRQXIAYHOIP-UHFFFAOYSA-N 264.630 2.973 50 50 CFGA C[C@@H](Cl)C(=O)N1CC2(CCOCC2)[C@H]1c1ccco1 1875380753 YODLYVLZPOCJRU-ZYHUDNBSSA-N 283.755 2.587 50 50 CFGA CCOC(=O)c1c(C)nn2c(Cl)cc(CCl)nc12 1772717071 SGIRPZUWPFDFMN-UHFFFAOYSA-N 288.134 2.607 50 50 CFGA CCCCN(CCOCCCl)CCOCCCl 5421346 FLYSLRJPIGFCKQ-UHFFFAOYSA-N 286.243 2.599 50 50 CFGA O=C(NCCCBr)OCc1ccccc1 1719022 QGTWQXTXRILXOV-UHFFFAOYSA-N 272.142 2.698 50 50 CFGA in-vitro CC1(C)CC(=O)[C@H](C(=O)c2ccccc2)C(=O)[C@@H]1Cl 100319385 BLFQLOXHVZSMJH-RISCZKNCSA-N 278.735 2.661 50 50 CFGA C[C@H](NC(=O)[C@@H](C)Cl)c1ccccc1-n1cccn1 1875363894 CWIIVYXWYHWSRN-MNOVXSKESA-N 277.755 2.677 50 50 CFGA C[C@@H](Cl)C(=O)NC(C)(C)c1cc(C(F)(F)F)on1 1875366090 LAFBNLYNSHHQBW-RXMQYKEDSA-N 284.665 2.672 50 50 CFGA C[C@H](NC(=O)CCl)c1nnc(-c2ccccc2F)s1 1875367965 DLCOEUZJOZVTFQ-ZETCQYMHSA-N 299.758 2.760 50 50 CFGA O=C(CCl)N1CC2(CCC2)C[C@@H]1C(F)(F)F 1875378206 XIYFGWUCJIARKI-SSDOTTSWSA-N 255.667 2.559 50 50 CFGA O=C(N/N=C/c1ccccc1Cl)c1cc(C2CC2)[nH]n1 16976905 QVZWODFYTIMPMQ-LZYBPNLTSA-N 288.738 2.704 50 50 CFGA COc1ccc(C2C(C#N)=C(C)NC(C)=C2C#N)cc1 19419642 MHNNQUJGKFPEFW-UHFFFAOYSA-N 265.316 2.977 50 50 CFGA CC(C)=NOc1cc(NC(=O)CCl)cc([N+](=O)[O-])c1 374099 IELJCNPHFSSWQX-UHFFFAOYSA-N 285.687 2.547 50 50 CFGA O=C(CCl)NC(=O)Nc1ccc(Cl)c(Cl)c1 36905887 IETWOLSNJKSPMC-UHFFFAOYSA-N 281.526 2.880 50 50 CFGA O=C(N/N=C1/C[C@@H]2C=CC[C@H]12)[C@@H]1C[C@H]1c1ccccc1 245228015 YHEIMBVHBHKWFQ-MNRDWRIMSA-N 266.344 2.858 50 50 CFGA Cc1ccc(/C=N/NC(=O)c2cc(C)oc2C)cc1 228338 YHURJBWRKUZKGY-CXUHLZMHSA-N 256.305 2.969 50 50 CFGA Cc1ccccc1-n1nccc1NC(=O)[C@H](C)Cl 1875363881 CNRSUBGRNOLEFW-JTQLQIEISA-N 263.728 2.747 50 50 CFGA Cc1ccc(NCC(=O)N/N=C/c2ccccc2)cc1 58868 XENFSUMMQAUNBM-WOJGMQOQSA-N 267.332 2.557 50 50 CFGA O=c1cc(CCl)nc(C2(c3ccccc3)CCC2)[nH]1 109597484 RLNKDODUJGECRE-UHFFFAOYSA-N 274.751 2.979 50 50 CFGA COc1ccc(/C=N\NC(=O)CNc2ccccc2C)cc1 32606204 QCOXWGHVCBUACN-ODLFYWEKSA-N 297.358 2.566 50 50 CFGA Cc1ccccc1/C=N/NC(=O)Cc1ccccc1 298569 RNWZMOYPFSQHBP-SFQUDFHCSA-N 252.317 2.688 50 50 CFGA CC(C)(C)[Si](OCC=O)(c1ccccc1)c1ccccc1 169836486 FQHOGJNOFHSSKY-UHFFFAOYSA-N 298.458 2.762 50 50 CFGA