smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)NC(=S)N/N=C/c1coc2c(Cl)cc(Cl)cc2c1=O 1042687 XEAOLDWHCRBEPN-NGYBGAFCSA-N 372.277 3.696 30 30 FHEC CSCC[C@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21 206549136 XCABZTKGNAMBJK-CQSZACIVSA-N 355.459 3.846 30 30 FHEC CCOC(=O)COc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N 1043481 WQZPBBRRHCPGPQ-UHFFFAOYSA-N 356.325 3.642 30 30 FHEC O=[N+]([O-])c1ccc(N/N=C/c2cc(Cl)cc(Cl)c2O)c([N+](=O)[O-])c1 4344501 VTUDBXVAACAAKF-OMCISZLKSA-N 371.136 3.961 30 30 FHEC O=[N+]([O-])c1ccc(O/N=C/c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 4300765 FQPNDYHMRKXZPS-QGMBQPNBSA-N 355.228 3.935 30 30 FHEC COc1cc(CC/C=C/C(=O)CCc2ccc(O)c(OC)c2)ccc1O 1531844 FWDXZNKYDTXGOT-GQCTYLIASA-N 356.418 3.806 30 30 FHEC endogenous,in-man CC(C)=NOC(=O)NC[C@@]1(C)C[C@H](NC(=O)ON=C(C)C)CC(C)(C)C1 145772250 VJFROPFOQQFWTP-KDOFPFPSSA-N 368.478 3.815 30 30 FHEC CC(=O)[C@@]1(O)CC[C@H]2[C@H]3C=C(Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 263584713 ZSAMZEYLGUEVJW-FZEOFVTHSA-N 360.881 3.957 30 30 FHEC CC(C)CC[C@H](O)[C@@]1(O)C(O)=C(C(=O)CC(C)C)C(=O)[C@H]1CCC(C)C 114648665 FUTYYOXQMQKWGM-LDBYXDLTSA-N 368.514 3.577 30 30 FHEC COc1ccc(C(=O)ON=C2C(=O)N(c3ccccc3)c3ccccc32)cc1 254568796 JQNGWWBFNFBWTH-UHFFFAOYSA-N 372.380 3.935 30 30 FHEC O=C1CCCC2=C1[C@H](c1ccccc1)CC(=O)N2c1ccc(C(=O)O)cc1 3884617 YKOQJZBGSAHKQO-KRWDZBQOSA-N 361.397 3.912 30 30 FHEC CSC(=NC#N)N1CCN(C(c2ccccc2)c2ccccc2)CC1 263591806 OCGXRDYXRWXMFO-UHFFFAOYSA-N 350.491 3.594 30 30 FHEC C/C(=N\NC1=NCCN1Cc1ccccc1)c1ccc(Br)cc1 4299851 XCEWTWLHHLNELJ-KGENOOAVSA-N 371.282 3.635 30 30 FHEC CC1=NN(C)C(=O)/C1=N\Nc1c(Cl)cc(C(F)(F)F)cc1Cl 13469127 NCNAGHQXJGEBCQ-NVMNQCDNSA-N 353.131 3.628 30 30 FHEC O=C1C[C@H]2c3ccccc3CCN2C(=O)C1=CNc1ccc(Cl)cc1 2265279098 ZVPARHIXMDCHFW-SFHVURJKSA-N 352.821 3.735 30 30 FHEC COc1cc(OC)c2c(c1Cl)O[C@@]1(C2=O)C(SC)=CC(=O)C[C@H]1C 1701882 DCCZLOASKLQMQQ-CQLKUDPESA-N 368.838 3.527 30 30 FHEC biogenic,in-vitro O=C(ON=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cccs1 254525301 VZURMTIDTCYLFJ-UHFFFAOYSA-N 359.407 3.838 30 30 FHEC C/C(=N\NC(=S)NCc1ccco1)c1cc(Cl)cc(Cl)c1O 1048257 WARJZXZPDIMMBB-QGMBQPNBSA-N 358.250 3.680 30 30 FHEC COc1ccc(/C=C2\S/C(=N\c3cccc(C(=O)O)c3)N(C)C2=O)cc1 8377484 CFXLDPFMEPHVGK-SMFDUERQSA-N 368.414 3.627 30 30 FHEC CCn1c(O)c(/N=N/c2ccc(Cl)cc2[N+](=O)[O-])c(C)c(C#N)c1=O 5688644 BBVOMHRLNCRXRH-VHEBQXMUSA-N 361.745 3.731 30 30 FHEC CCOC(=O)c1noc(C)c1-c1csc(N/N=C/c2ccccc2)n1 4394527 WMDYROSPLDTYCP-GIJQJNRQSA-N 356.407 3.729 30 30 FHEC CCCCCCCCCCCCCC[C@@H](O)C[N+]([O-])(CCO)CCO 100126305 OQFIKFNCZGUAHE-HXUWFJFHSA-N 361.567 3.738 30 30 FHEC CS/C(=N\S(=O)(=O)c1ccccc1)Nc1cccc(SC)c1 13466629 JEKOKAFMMQNPPO-UHFFFAOYSA-N 352.506 3.928 30 30 FHEC COc1ccccc1C(=O)O/N=C(\N)COc1ccc(Cl)cc1Cl 4389750 WHZJBTBZKNZVNO-UHFFFAOYSA-N 369.204 3.510 30 30 FHEC Cc1ccc(S(=O)(=O)O[C@H](c2nc(C)cs2)C(F)(F)F)cc1 72266413 MIGGLCJJODBDTL-LLVKDONJSA-N 351.371 3.769 30 30 FHEC in-vitro Cc1nnsc1-c1onc(C)c1C(=O)O/N=C/c1cccc(Cl)c1 4394531 FEWLVRVXPKQOMD-REZTVBANSA-N 362.798 3.654 30 30 FHEC CCOC(=O)c1sc(N/N=C2\CCCc3cc(OC)ccc32)nc1C 4323929 YWTXHCXUAJAUJB-HMMYKYKNSA-N 359.451 3.789 30 30 FHEC N/C(=N\OC(=O)c1cccs1)c1cccc(CSc2ccccn2)c1 4344782 QGACYYOTWTYPQG-UHFFFAOYSA-N 369.471 3.913 30 30 FHEC NN=C1c2cc(Br)ccc2-c2ccc(Br)cc21 1042008 FMPISTNSJIPCST-UHFFFAOYSA-N 352.029 3.903 30 30 FHEC C=C1C(=O)O[C@H]2/C=C(/C)C[C@H](OC(C)=O)/C=C(/C)CC/C=C(/C)C[C@H](O)[C@H]12 33954180 ZDQJJRBIBRHMDH-AXAPCXTGSA-N 374.477 3.790 30 30 FHEC COc1cc(/C=C/C(=O)N(O)c2ccc(Cl)cc2)cc(OC)c1OC 196811480 BQJXKNWBKHYJCU-RUDMXATFSA-N 363.797 3.801 30 30 FHEC O=C1N(Cc2ccccc2)[C@@H]2C[S@+]3CCC[C@H]3[C@H]2N1Cc1ccccc1 212568067 CHQOEHPMXSHGCL-FUSMBFRDSA-N 365.522 3.656 30 30 FHEC N#Cc1c(O)noc1Nc1cc(Br)cc(Br)c1 28707467 JTQXYXHRSXAIRY-UHFFFAOYSA-N 358.977 3.520 30 30 FHEC C/C(=N\Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1cccnc1 4322610 ROXSHQZFVPRBQI-UFWORHAWSA-N 369.259 3.753 30 30 FHEC COc1ccc2c(C#N)c(-c3nc4ccc(OC)cc4s3)c(=O)oc2c1 38643950 IENYPDXEIIYLQZ-UHFFFAOYSA-N 364.382 3.959 30 30 FHEC COc1ccc2nc(/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)sc2c1 38170413 FBCVRQVZTQKLNO-FRKPEAEDSA-N 374.334 3.578 30 30 FHEC COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(N(C)C)cc1Cl 1030505 ZLMTWRJOANFGAK-GOSISDBHSA-N 374.868 3.547 30 30 FHEC N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)c1cc(Cl)cc(Cl)c1 4391837 XHMSALJTEYABEQ-UHFFFAOYSA-N 368.176 3.573 30 30 FHEC O=C1C=Cc2ccccc2C1=NNc1ccc(I)cc1 252428544 KYUHUTQTMRJCBG-UHFFFAOYSA-N 374.181 3.703 30 30 FHEC N/C(=N\S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 20421163 YACCUBUCBXFJCE-UHFFFAOYSA-N 363.653 3.741 30 30 FHEC N/C(CSc1ccc(C(F)(F)F)cn1)=N\OC(=O)Nc1ccccc1 4365248 JNKDHTZOBRRUDO-UHFFFAOYSA-N 370.356 3.713 30 30 FHEC Cc1c(C#N)c(Sc2n[nH]c(=O)n2C2CCCCC2)nc2ccccc12 1324164 RIJMTEOCCONVQW-UHFFFAOYSA-N 365.462 3.956 30 30 FHEC C=C(C)C(=O)OCC[N+](C)(C)Cc1ccc(C(=O)c2ccccc2)cc1 104849261 BEFFUGKXNVLSPG-UHFFFAOYSA-N 352.454 3.613 30 30 FHEC COC(=O)c1nn(-c2ccccc2)c(Sc2ccccc2)c1C=NO 254533940 WLVSPXRZTCKCPO-UHFFFAOYSA-N 353.403 3.618 30 30 FHEC COC(=O)c1cc(OC(F)(F)C(F)F)cc(OC(F)(F)C(F)F)c1 2265385505 CDDKHUSRKOPLQK-UHFFFAOYSA-N 368.176 3.947 30 30 FHEC C[S@@](=O)(=NC(=O)c1cncc(C#Cc2ccccc2)c1)c1ccccc1 13466470 XRDLIWOJXHQZSS-SANMLTNESA-N 360.438 3.779 30 30 FHEC Cc1ccc(S(=O)(=O)O[C@@H](c2nc(C)cs2)C(F)(F)F)cc1 72266412 MIGGLCJJODBDTL-NSHDSACASA-N 351.371 3.769 30 30 FHEC in-vitro C[C@H](Oc1ccc(C(C)(C)C)cc1)c1ccnc2nc(N=CN(C)C)nn12 254706169 XXJZXWHJOWHGRD-AWEZNQCLSA-N 366.469 3.783 30 30 FHEC CN/C(C)=C(\C(=O)OC)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 100377549 UPFSSMUESFWIEQ-XFFZJAGNSA-N 369.261 3.573 30 30 FHEC O=C(Oc1ccccc1)C(=NNc1ccccc1)C(=O)Oc1ccccc1 96336198 GEIQGTDRULLTDP-UHFFFAOYSA-N 360.369 3.666 30 30 FHEC CN(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1)c1ccccc1 328579463 JSVKUJFHSVKAQD-UHFFFAOYSA-N 371.673 3.916 30 30 FHEC CC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccc(N2CCCCC2)cc1 100209994 DSYREIBSXSWHSJ-BSYVCWPDSA-N 361.449 3.868 30 30 FHEC CC(=O)C(=NNc1cc2c(c([N+](=O)[O-])c1C)C(C)(C)CC2(C)C)C(C)=O 1048274 CDONZWSZJBBLAF-UHFFFAOYSA-N 359.426 3.808 30 30 FHEC CCCCCC(=O)/C=C/[C@H]1[C@@H]2CC(=O)O[C@H]2C[C@H]1OC(=O)c1ccccc1 143202995 OCWSJGXEQPXXSZ-KWBOJEFXSA-N 370.445 3.869 30 30 FHEC O=C1Nc2ccc(Br)cc2/C1=C\C(=O)c1cccc([N+](=O)[O-])c1 1045424 KZLIVJYEGVRXJO-MDWZMJQESA-N 373.162 3.576 30 30 FHEC CCOC(=O)NC(Nc1ccc(F)cc1F)(C(F)(F)F)C(F)(F)F 1644567 QQISRKQTAKOLBO-UHFFFAOYSA-N 366.208 3.944 30 30 FHEC CON=C(CN1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)cc1 2265279131 KWDYYFNITLLAEM-UHFFFAOYSA-N 361.848 3.652 30 30 FHEC O=C1C(NCc2ccccc2)=C(NCc2ccccc2)C(=O)c2ccccc21 20458837 AYQMPXAEGLWFDV-UHFFFAOYSA-N 368.436 3.857 30 30 FHEC Cc1ccc(CN2C(=O)C(=NOC(=O)CC(C)C)c3ccccc32)cc1 254422229 YTACJHYTKLBSTL-UHFFFAOYSA-N 350.418 3.835 30 30 FHEC COc1cc(/C=N/NC(=S)NC(C)(C)C)ccc1OCc1ccccc1 1037899 OQTXPTMJHXYGMI-FYJGNVAPSA-N 371.506 3.871 30 30 FHEC CCOC(=O)c1cc(/C(C)=N/OC(=O)c2ccc(C(C)(C)C)cc2)on1 1047996 VLPNMQCUFSPHPK-UDWIEESQSA-N 358.394 3.730 30 30 FHEC CCOC(=O)c1cncc(C#CCOC(=O)Nc2ccc(Cl)cc2)c1 3118972 MJOUJNHEOUCZLB-UHFFFAOYSA-N 358.781 3.512 30 30 FHEC COc1ccc(/C=N/n2cnc3c(sc4nc(C)cc(C)c43)c2=O)cc1 1034697 YXSXHKQMZUNYMY-ZVBGSRNCSA-N 364.430 3.514 30 30 FHEC CCSc1ccc(/C(N)=N/OC(=O)c2cccc(C(F)(F)F)c2)cn1 4390295 IZNYMNPQABSTMF-UHFFFAOYSA-N 369.368 3.690 30 30 FHEC C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC(C)=O)c1ccnc2ccc(OC)cc12 252427938 LBXIBQQYUBUMMK-ZXJYCPGTSA-N 366.461 3.744 30 30 FHEC O=C1CCCC2=C1[C@@H](c1ccccc1)CC(=O)N2c1ccc(C(=O)O)cc1 3884618 YKOQJZBGSAHKQO-QGZVFWFLSA-N 361.397 3.912 30 30 FHEC COC(=O)c1sccc1N/C=C1\C(=O)CC[C@@H](c2ccccc2)C1=O 2141730 TUILIDKDMNVYJT-UQRISPGASA-N 355.415 3.546 30 30 FHEC CCCCCC(=O)/C=C/[C@@H]1[C@H](OC(=O)c2ccccc2)C[C@H]2OC(=O)C[C@H]12 34173001 OCWSJGXEQPXXSZ-AZXIPFKHSA-N 370.445 3.869 30 30 FHEC C[C@@H](Oc1ccc(C(C)(C)C)cc1)c1ccnc2nc(N=CN(C)C)nn12 254706170 XXJZXWHJOWHGRD-CQSZACIVSA-N 366.469 3.783 30 30 FHEC CC[C@@H](C)C(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O 2512372 ODQATBANLZCROD-SJKOYZFVSA-N 372.417 3.717 30 30 FHEC biogenic COC(=O)c1ccc(N=Cc2cc(Br)ccc2O)c(F)c1 254911650 MVKPGHGMXQHCQC-UHFFFAOYSA-N 352.159 3.831 30 30 FHEC N#CC1(Cc2ccc(Br)cc2I)CC1 205457777 ZUVWLCWIPCFIQG-UHFFFAOYSA-N 362.008 3.900 30 30 FHEC N#Cc1c(O)nc(N/N=C/c2cccs2)nc1-c1ccc(Cl)cc1 4301084 RFDJSZFAIIIWNC-DJKKODMXSA-N 355.810 3.882 30 30 FHEC COc1cc(C(=O)ON=C2C3CC4CC(C3)CC2C4)cc(OC)c1OC 1037256 ZTVKGIDATOOGKP-UHFFFAOYSA-N 359.422 3.681 30 30 FHEC CCOC(=O)c1cnc(C(F)(F)F)nc1N/N=C/c1ccc(Cl)cc1 4394642 VXBXKDWSNCDCOZ-QPSGOUHRSA-N 372.734 3.772 30 30 FHEC CCCCCCCCCCCCN1CCCNCCNCCCNCC1 97976215 RIEOKWOMCYGQHB-UHFFFAOYSA-N 368.654 3.772 30 30 FHEC COc1cc(C2=CN(Cc3ccccc3)CCC2=O)cc(OC)c1OC 44137656 FLTAZXQUOLULAZ-UHFFFAOYSA-N 353.418 3.528 30 30 FHEC COc1cccc(-c2c3c([nH]c(=O)c2C#N)CCc2cc(OC)ccc2-3)c1 13657919 LLOYFPGCYDHGQN-UHFFFAOYSA-N 358.397 3.696 30 30 FHEC C=CCN1CCN(c2nc(OC[C@H](C)CCC)c3ccccc3n2)CC1 33895937 OPOOWDVGJRBQSJ-QGZVFWFLSA-N 354.498 3.753 30 30 FHEC O=C(ON=C1CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccco1 254488879 QVLBZDANHVVABB-GFCCVEGCSA-N 373.321 3.967 30 30 FHEC Cc1ccsc1/C=C/C(=O)O/N=C(\N)c1ccc(C(F)(F)F)cc1 4323999 SPBYULIKGRUEAF-VOTSOKGWSA-N 354.353 3.952 30 30 FHEC Cc1onc(-c2c(F)cccc2Cl)c1C(=O)ONC(=O)c1ccccc1 1048677 RXKAXNARGGJEIS-UHFFFAOYSA-N 374.755 3.944 30 30 FHEC N#CCCN(Cc1ccco1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 3046263 HDEOAISWRLUJDX-UHFFFAOYSA-N 359.234 3.691 30 30 FHEC O=C(OCc1ccccc1)[C@H](CO)N=C(c1ccccc1)c1ccccc1 22050714 VPAWZKGPNOLUAC-NRFANRHFSA-N 359.425 3.628 30 30 FHEC in-vitro CC(=O)OCC(=O)C1=CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C 575128984 UFEOMHFPJREVTP-GIHONLOASA-N 366.457 3.883 30 30 FHEC biogenic C#Cc1cccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc(Cl)cc2)c1 1034974 NTQVYNBWTQHADK-ZDUSSCGKSA-N 361.850 3.512 30 30 FHEC CCCCCCCC/C=C\CCCC(=O)[C@@H](C(=O)O)[C@H](O)C[N+](C)(C)C 604973093 WEMJFILCCBQDPC-NZAJQASQSA-O 370.554 3.801 30 30 FHEC CCOC(=O)c1ccc(NC(=S)N/N=C/c2ccccc2Cl)cc1 1040430 BWJRJAHUOCCXGZ-YBFXNURJSA-N 361.854 3.837 30 30 FHEC Cc1onc(-c2c(F)cccc2Cl)c1C(=O)ONC(=O)c1ccco1 1048679 ALFMFHPBOJRTNF-UHFFFAOYSA-N 364.716 3.537 30 30 FHEC CCCCCCCCCCCCCC[C@H](O)C[N+]([O-])(CCO)CCO 100126299 OQFIKFNCZGUAHE-FQEVSTJZSA-N 361.567 3.738 30 30 FHEC Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccccc1)[C@@H](C#N)[C@H](N)O2 1565503730 GYVFDPLDGRZICW-BHIYHBOVSA-N 364.836 3.783 30 30 FHEC COc1ccc(N=CC=CNc2ccc(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 2265279752 LVZMPVOKQVLUMB-UHFFFAOYSA-N 372.337 3.848 30 30 FHEC Cc1nc(C(F)(F)F)c(C(=O)O/N=C(\N)c2ccc(Cl)cc2)s1 4394866 CKHJTLFBKABIEW-UHFFFAOYSA-N 363.748 3.601 30 30 FHEC COc1ccc(-c2c(C#N)c(=O)[nH]c3c2c(C)nn3-c2ccccc2)cc1 1033719 AHPGYQBGCKKBLD-UHFFFAOYSA-N 356.385 3.570 30 30 FHEC C/C(=N\OC(=O)c1ccccc1)c1sc2nc(C(F)(F)F)nn2c1C 1032069 IIBITAZTIJQUID-ODCIPOBUSA-N 368.340 3.699 30 30 FHEC CC[C@H](C)C(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O 6412269 ODQATBANLZCROD-YVEFUNNKSA-N 372.417 3.717 30 30 FHEC biogenic O=C(NC(=S)Nc1ccccc1)c1cncc(C#Cc2ccccc2)c1 1040168 OEHIWBILAXOFHM-UHFFFAOYSA-N 357.438 3.608 30 30 FHEC CC(C)(C)c1ccc(/C(N)=N/OC(=O)CCOc2ccc(F)cc2)cc1 4389588 WEGRIDRUSLTNJC-UHFFFAOYSA-N 358.413 3.756 30 30 FHEC CCCCCCCCCCCCC=C(S(=O)(=O)O)S(=O)(=O)O 111885745 UZKKYTJXENRDFX-UHFFFAOYSA-N 356.506 3.914 30 30 FHEC CCOC(=O)COc1nc2c(c(-c3ccco3)c1C#N)CCc1ccccc1-2 1036071 JFSWDHKRJXDNRI-UHFFFAOYSA-N 374.396 3.921 30 30 FHEC N#C/C(=N\Nc1ccc(F)cc1)C(=O)c1ccc(OC(F)(F)F)cc1 1039186 YZAKCSSJYKLYHU-OEAKJJBVSA-N 351.259 3.899 30 30 FHEC COc1ccc(C(=O)O/N=C(\N)COc2ccc(Cl)cc2Cl)cc1 4389749 UFIVOGRDWFRRJN-UHFFFAOYSA-N 369.204 3.510 30 30 FHEC CCCCCC(=O)O/N=C(\C)c1ccn(S(=O)(=O)c2ccccc2)c1 4300494 KRWPEFQZKLMQNL-XDJHFCHBSA-N 362.451 3.573 30 30 FHEC CN1N[C@H](c2ccccc2)/C(=N\OC(=O)Nc2ccccc2)SC1=S 1040406 ZZICOWIUIIURSI-DUHXBFFASA-N 372.475 3.758 30 30 FHEC C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OS(=O)(=O)O 6067916 WAQBISPOEAOCOG-DYKIIFRCSA-N 368.495 3.706 30 30 FHEC endogenous,world COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(SC)=CC(=O)C[C@@H]1C 4887207 DCCZLOASKLQMQQ-QPFGOUBPSA-N 368.838 3.527 30 30 FHEC biogenic,in-vitro Cc1cccc(C)c1NC(=O)CCC[N+](C)(C)CC(=O)Nc1ccccc1 2038143 ZFPWHJRHJIUSLZ-UHFFFAOYSA-O 368.501 3.737 30 30 FHEC N/C(=N\OC(=O)/C=C/c1ccc(OC(F)(F)F)cc1)c1cccs1 4390583 MGVLTZBCCTWBQQ-VMPITWQZSA-N 356.325 3.524 30 30 FHEC CCC=N[CH][C@@H](O)COc1ccc(O)cc1C(=O)CCc1ccccc1 2265379902 NDOGZDFUDFIUPI-GOSISDBHSA-N 354.426 3.590 30 30 FHEC Oc1c(Cl)cc(Cl)cc1/C=N/NC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 102933130 NKZGVZZJPGAZME-IGRMNIADSA-N 358.294 3.686 30 30 FHEC COc1cccc(-c2cc(-c3ccc(F)cc3)[nH]c(=O)c2C#N)c1OC 4337443 OZMJYHHIBXJGET-UHFFFAOYSA-N 350.349 3.737 30 30 FHEC C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](OC(C)=O)c1ccnc2ccc(OC)cc12 252427936 LBXIBQQYUBUMMK-FHTPNYMGSA-N 366.461 3.744 30 30 FHEC O=C(/C=C/S(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1 1038990 CBHAXJVJSBISQK-MDZDMXLPSA-N 369.211 3.759 30 30 FHEC CN(CCOC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(C#N)cn1 20230178 NFULHPMQIAXESM-UHFFFAOYSA-N 350.205 3.553 30 30 FHEC COc1c(OC)c(OC)c(C(=O)/C=C/c2ccccc2)c(OC)c1OC 14640465 BHTMJPHRPUKDBL-VAWYXSNFSA-N 358.390 3.626 30 30 FHEC C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](OC(C)=O)c1ccnc2ccc(OC)cc12 1045428 LBXIBQQYUBUMMK-AERDPVEMSA-N 366.461 3.744 30 30 FHEC C[S@](=O)(=NC(=O)c1cncc(C#Cc2ccccc2)c1)c1ccccc1 100214782 XRDLIWOJXHQZSS-AREMUKBSSA-N 360.438 3.779 30 30 FHEC COc1cc(C=CC(=O)C=C(O)C=Cc2ccc(O)c(OC)c2)ccc1O 2265328757 ZIUSSTSXXLLKKK-UHFFFAOYSA-N 368.385 3.853 30 30 FHEC COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(C)cc2)c1C=NO 254766450 UNAQNHWTEJDDIL-UHFFFAOYSA-N 367.430 3.927 30 30 FHEC COC(=O)c1sccc1NC=C1C(=O)CC(c2cccs2)CC1=O 1038483 LDQKVCIPXGVMHI-UHFFFAOYSA-N 361.444 3.608 30 30 FHEC CCCCCCCC/C=C\CCCC(=O)[C@H](C(=O)O)[C@@H](O)C[N+](C)(C)C 604973094 WEMJFILCCBQDPC-YJVWZAPGSA-O 370.554 3.801 30 30 FHEC Cc1nnsc1-c1onc(C)c1C(=O)O/N=C/c1ccc(Cl)cc1 1047777 ZVRNFSHSPHIZBV-REZTVBANSA-N 362.798 3.654 30 30 FHEC CCCCCC(=O)/C=C/[C@@H]1[C@H](OC(=O)c2ccccc2)C[C@@H]2OC(=O)C[C@@H]21 95630337 OCWSJGXEQPXXSZ-LFOMKXGLSA-N 370.445 3.869 30 30 FHEC Cc1cccc2cc(C#N)c(NCCNC(=O)c3ccccc3Cl)nc12 4881247 ANUQHLMKELYZBR-UHFFFAOYSA-N 364.836 3.910 30 30 FHEC COC(=O)/C=C1\S/C(=N\c2ccccn2)N(c2ccc(C)c(C)c2)C1=O 4693157 XJZNAYHPAMSENP-LZCBWBIGSA-N 367.430 3.523 30 30 FHEC C#CCSc1nnc(-c2ccc(C(F)(F)F)cc2)n1CCCOC 2150494 HKLGWIKDNOHJMV-UHFFFAOYSA-N 355.385 3.726 30 30 FHEC CCOC(=O)COc1nc(-c2cccs2)cc(-c2ccco2)c1C#N 4334745 YQTFOAMBMLYKSG-UHFFFAOYSA-N 354.387 3.884 30 30 FHEC CCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)CO 100305989 VURIDHCIBBJUDI-UHFFFAOYSA-N 374.562 3.974 30 30 FHEC C=CCSc1nnc(OC(=O)N(C)C)n1-c1cccc(C(F)(F)F)c1 3119858 OFRHFHMZFVIDFT-UHFFFAOYSA-N 372.372 3.625 30 30 FHEC CC(C)CC[C@H](O)[C@@]1(O)C(O)=C(C(=O)CC(C)C)C(=O)[C@@H]1CCC(C)C 114648768 FUTYYOXQMQKWGM-HZUJVAHNSA-N 368.514 3.577 30 30 FHEC COc1ccc(C(=O)C=CNc2ccc(N3CCC(=O)CC3)cc2)cc1 2265278860 HSDVEEYLPJOMBF-UHFFFAOYSA-N 350.418 3.673 30 30 FHEC CC(C)Oc1ccc(/C=N/CCNc2nccc(C(F)(F)F)n2)cc1 3467489 RYENJYGPMMIJAN-SRZZPIQSSA-N 352.360 3.814 30 30 FHEC C=CCN1CCN(c2nc(OC[C@@H](C)CCC)c3ccccc3n2)CC1 33895938 OPOOWDVGJRBQSJ-KRWDZBQOSA-N 354.498 3.753 30 30 FHEC Cc1onc(-c2c(Cl)cccc2Cl)c1/C(N)=N/OC(=O)C1CC1 95629533 WATZCAXLVQXWBZ-UHFFFAOYSA-N 354.193 3.530 30 30 FHEC CCCCCCCC/C=C\CCCC(=O)[C@H](C(=O)O)[C@H](O)C[N+](C)(C)C 604973092 WEMJFILCCBQDPC-NRHNMFRMSA-O 370.554 3.801 30 30 FHEC COC(=O)c1sccc1N/C=C1\C(=O)CC[C@H](c2ccccc2)C1=O 2141733 TUILIDKDMNVYJT-MBFWDRTGSA-N 355.415 3.546 30 30 FHEC C=CCn1c(=S)sc2c(N3CCN(c4ccccc4)CC3)ncnc21 1034593 OSIHUUJSSQGZAV-UHFFFAOYSA-N 369.519 3.735 30 30 FHEC CC[C@@H](C)C(=O)O[C@@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O 13328097 ODQATBANLZCROD-PXAZEXFGSA-N 372.417 3.717 30 30 FHEC biogenic,in-vitro CN1N[C@@H](c2ccccc2)/C(=N\OC(=O)Nc2ccccc2)SC1=S 4365178 ZZICOWIUIIURSI-SPPQWUQUSA-N 372.475 3.758 30 30 FHEC N/C(=N\OCc1noc(-c2ccsc2)n1)c1ccc(C(F)(F)F)cc1 4389657 OAEDZFKIVXSWLC-UHFFFAOYSA-N 368.340 3.654 30 30 FHEC CC(C)(C)OC[C@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21 140391878 MWRZFXOQMUTNRK-HNNXBMFYSA-N 367.445 3.908 30 30 FHEC COC(=O)c1sccc1-c1ccc(C=NOC(=O)c2ccccc2)o1 254879273 IPXWQOWACMOFLH-UHFFFAOYSA-N 355.371 3.986 30 30 FHEC O=C1N(Cc2ccccc2)[C@@H]2C[S@+]3CCC[C@@H]3[C@H]2N1Cc1ccccc1 212568148 CHQOEHPMXSHGCL-YRKFHGTDSA-N 365.522 3.656 30 30 FHEC CC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O 5194425 HIFJCPQKFCZDDL-XVSRNDDYSA-N 360.494 3.541 30 30 FHEC in-vitro CCCCCCCC/C=C\CCCC(=O)[C@@H](C(=O)O)[C@@H](O)C[N+](C)(C)C 604973091 WEMJFILCCBQDPC-IPJDOEQRSA-O 370.554 3.801 30 30 FHEC CCCCCCCCCCN1CCOCCOCCOCCOCC1 111890225 OQYMCCVEJUOMCX-UHFFFAOYSA-N 359.551 3.509 30 30 FHEC C/C(Cn1c(=O)oc2ccccc21)=N\OC(=O)Nc1cccc(Cl)c1 12369711 DVOULKZWAPGPLY-RGVLZGJSSA-N 359.769 3.873 30 30 FHEC Cc1ccc(S(=O)(=O)CCSC2=CC(=O)CC(C)(C)S2)cc1 1038116 JUBHGXPSTXTUDV-UHFFFAOYSA-N 356.534 3.828 30 30 FHEC C=CCOC(=O)c1scc(S(=O)(=O)c2ccc(Cl)cc2)c1C 4344780 CPSNPSXHTLBBOK-UHFFFAOYSA-N 356.852 3.886 30 30 FHEC CC(C)(C)OC(=O)n1ccc(-c2cccc(B3OC(C)(C)C(C)(C)O3)c2)n1 498050779 QCHIQECSWDLRPI-UHFFFAOYSA-N 370.258 3.633 30 30 FHEC Cc1nc(C(=O)C=CN(C)C)cn1-c1ncc(C(F)(F)F)cc1Cl 2265276220 WZRWGKPPEKRYQZ-UHFFFAOYSA-N 358.751 3.506 30 30 FHEC COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(SC)=CC(=O)C[C@H]1C 4887206 DCCZLOASKLQMQQ-RBHXEPJQSA-N 368.838 3.527 30 30 FHEC biogenic,in-vitro CC(C)C[C@H](S)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O 29129066 GNCWXHHRBZYERE-OALUTQOASA-N 371.502 3.810 30 30 FHEC CC(C)=NOC(=O)NC[C@@]1(C)C[C@@H](NC(=O)ON=C(C)C)CC(C)(C)C1 145772661 VJFROPFOQQFWTP-KSSFIOAISA-N 368.478 3.815 30 30 FHEC C=CCCN(CC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 958741819 IJBPAHPUQGXDLW-UHFFFAOYSA-N 351.402 3.898 30 30 FHEC CCOc1ccsc1C(=O)O/N=C(\N)c1ccc(C(F)(F)F)cc1 4324073 UJPCYTOICYQUJE-UHFFFAOYSA-N 358.341 3.643 30 30 FHEC COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(N(C)C)cc1Cl 1030506 ZLMTWRJOANFGAK-SFHVURJKSA-N 374.868 3.547 30 30 FHEC COc1cccc(/C=N\c2ccccc2N2C(=O)c3ccccc3C2=O)c1O 4709283 SMEBLRRFUMJNSC-QRVIBDJDSA-N 372.380 3.952 30 30 FHEC N/C(=N\OCc1cc(Cl)cc2c1OCOC2)c1ccc(Cl)cc1 4322857 WYQHPJQOBBMNIR-UHFFFAOYSA-N 353.205 3.697 30 30 FHEC CCOC(=O)c1c(C)c(C#N)c(NC(=O)C(C)(C)C)n1-c1ccccc1 1046974 NDVKQDZSXRUDHN-UHFFFAOYSA-N 353.422 3.819 30 30 FHEC O=C(/C=C/N1CCOCC1)c1csc(-c2ccc(C(F)(F)F)cc2)n1 1048004 YYPPCANTCSZQEZ-AATRIKPKSA-N 368.380 3.858 30 30 FHEC CN(C)/C=C/C(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 1024267 YGJGPJFIGKYZSM-AATRIKPKSA-N 371.277 3.827 30 30 FHEC COc1ccc(CCN2C(=O)CS/C2=N\c2ccc(F)cc2)cc1OC 4709405 GJBWRTXBHBPBDF-VZCXRCSSSA-N 374.437 3.649 30 30 FHEC Cc1cc(C)c2c(n1)sc1c(=O)n(/N=C/c3ccccc3Cl)nnc12 1035445 RUYKBPYTFAQFPE-UFWORHAWSA-N 369.837 3.554 30 30 FHEC CS(=O)(=O)n1nccc1-c1ccc(Oc2cccc(Cl)c2C#N)cc1 1024341 GWBBMTQKPDXDSF-UHFFFAOYSA-N 373.821 3.675 30 30 FHEC COc1ccc(S(=O)(=O)ON=C2CCSc3ccc(C)cc32)cc1 254765511 CQLZQMDBENGQAJ-UHFFFAOYSA-N 363.460 3.609 30 30 FHEC CC[C@H](C)[C@H](S)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O 29128405 BKIADFDXLKFQRT-JVPBZIDWSA-N 371.502 3.810 30 30 FHEC COc1cc(C=CC2=CC(=O)C[C@H](c3ccc(O)c(OC)c3)O2)ccc1O 2265339965 IZLBLUIBVMGMIY-LJQANCHMSA-N 368.385 3.743 30 30 FHEC N/C(=N\S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(Cl)cc1 20421200 QSSFTTZHIKNXBW-UHFFFAOYSA-N 369.682 3.803 30 30 FHEC O=C1C[C@@H]2c3ccccc3CCN2C(=O)C1=CNc1ccc(Cl)cc1 2265279097 ZVPARHIXMDCHFW-GOSISDBHSA-N 352.821 3.735 30 30 FHEC N#Cc1c(F)cccc1N/N=C(/C(=O)c1cccs1)C(=O)C(F)(F)F 4322829 SSBJXQLZMIWWKB-UUYOSTAYSA-N 369.299 3.541 30 30 FHEC Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccccc1)[C@H](C#N)[C@@H](N)O2 1565503733 GYVFDPLDGRZICW-UHOSZYNNSA-N 364.836 3.783 30 30 FHEC C=CCC1(C(=O)O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 667645005 ZJISUXOIXPLULG-UHFFFAOYSA-N 363.413 3.898 30 30 FHEC COC(OC)c1ccc(C#N)c(SCC(=O)c2ccc(Cl)cc2)n1 1047967 AASHFFLMTFAAAQ-UHFFFAOYSA-N 362.838 3.873 30 30 FHEC COC(=O)/C=C1\S/C(=N\c2ccccn2)N(c2ccc(Cl)cc2)C1=O 12339173 JLMFNNUVHVITRV-SQHGGUCHSA-N 373.821 3.559 30 30 FHEC CSc1sc(C(=O)N2CCOCC2)c(-c2cccs2)c1C#N 1037553 ROBMOHLEDHXOCM-UHFFFAOYSA-N 350.490 3.543 30 30 FHEC CC[C@H](C)C(=O)O[C@@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O 13328099 ODQATBANLZCROD-SJCJKPOMSA-N 372.417 3.717 30 30 FHEC biogenic Cc1onc(-c2c(F)cccc2Cl)c1/C(N)=N/OC(=O)c1ccco1 4382468 MFNHYRDLLXPZLO-UHFFFAOYSA-N 363.732 3.513 30 30 FHEC COc1cc(C=CC2=CC(=O)C[C@@H](c3ccc(O)c(OC)c3)O2)ccc1O 2265339964 IZLBLUIBVMGMIY-IBGZPJMESA-N 368.385 3.743 30 30 FHEC Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccccc1)[C@H](C#N)[C@H](N)O2 1565503732 GYVFDPLDGRZICW-QXAKKESOSA-N 364.836 3.783 30 30 FHEC N#CCCN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 4323802 LNZVUUQDGZSSGE-UHFFFAOYSA-N 371.300 3.686 30 30 FHEC CC(C)=NOC(=O)NC[C@]1(C)C[C@H](NC(=O)ON=C(C)C)CC(C)(C)C1 145772040 VJFROPFOQQFWTP-RDTXWAMCSA-N 368.478 3.815 30 30 FHEC CCOC(=O)c1ccc(NC=C(C(C)=O)c2ccc(OC)c(OC)c2)cc1 2265271983 VDBPMSMNGQYCCR-UHFFFAOYSA-N 369.417 3.923 30 30 FHEC C/C(=N\O)c1nnn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C 1048636 UQPGMUIRIKLNKP-AERZKKPOSA-N 352.238 3.812 30 30 FHEC Cc1ccc(C(=O)O/N=C(\N)CSc2ncccc2C(F)(F)F)cc1 4365348 MRGNWZBTARYYNY-UHFFFAOYSA-N 369.368 3.630 30 30 FHEC O=C1N(Cc2ccccc2)[C@@H]2C[S@+]3CCC[C@H]3[C@@H]2N1Cc1ccccc1 212568339 CHQOEHPMXSHGCL-MAUQACMESA-N 365.522 3.656 30 30 FHEC C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(C)=O)c1ccnc2ccc(OC)cc12 252427937 LBXIBQQYUBUMMK-LYZACZEUSA-N 366.461 3.744 30 30 FHEC COc1cccc(/C=N\NC(=S)NC(C)(C)C)c1OCc1ccccc1 33380932 YDDHQIGXJCBBFH-BKUYFWCQSA-N 371.506 3.871 30 30 FHEC CC(C)CCC(=O)[C@]1(O)C(O)=C(C(=O)CC(C)C)C(=O)[C@H]1CCC(C)C 5114412 JIZQRWKUYFNSDM-VFNWGFHPSA-N 366.498 3.785 30 30 FHEC in-vivo C=C(C)Cc1c(C)nc(SCC(=O)C(C)(C)C)nc1OC(=O)N(C)C 1044732 DLPAMMSTUNNPAP-UHFFFAOYSA-N 365.499 3.671 30 30 FHEC Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccccc1)[C@@H](C#N)[C@@H](N)O2 1565503731 GYVFDPLDGRZICW-QRQLOZEOSA-N 364.836 3.783 30 30 FHEC O=[N+]([O-])c1cccc(-c2ccc(/C=N/N=C(/S)NCc3ccco3)o2)c1 13658782 VEUOZDDEHGZFKK-YBFXNURJSA-N 370.390 3.857 30 30 FHEC Cc1ccc(C=C2SC(=Nn3cnnc3)N(c3ccccc3)C2=O)cc1 2265279395 PFUKITCBJOTLHX-UHFFFAOYSA-N 361.430 3.527 30 30 FHEC COc1cccc(/C=N/n2cnc3c(sc4nc(C)cc(C)c43)c2=O)c1 1035726 KCOGUMPXEPFIKB-ZVBGSRNCSA-N 364.430 3.514 30 30 FHEC CCCCCCCCCCCCSC[C@@H](C)C(=O)NCCNCCN 135893752 TUGMAMKNPZRQQK-LJQANCHMSA-N 373.651 3.941 30 30 FHEC CC(=O)OCC(=O)C1=CC[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C 575128985 UFEOMHFPJREVTP-PNQHUFSXSA-N 366.457 3.883 30 30 FHEC biogenic N#C/C(=N\Nc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 1037367 RBSPLDQQULXVMP-XMHGGMMESA-N 354.218 3.716 30 30 FHEC CCCc1c(C(=O)O/N=C/c2ccc(C#N)cc2)cnn1-c1ccccc1 1026476 CFZQYEHZDDEAIM-ZVHZXABRSA-N 358.401 3.887 30 30 FHEC Oc1c(Cl)cc(Cl)cc1/C=N/NC(=S)N[C@H]1C[C@H]2CC[C@H]1C2 102933131 NKZGVZZJPGAZME-NMTRJOFYSA-N 358.294 3.686 30 30 FHEC Cn1ncc(C(=O)O/N=C/c2ccc(Cl)cc2Cl)c1-n1cccc1 1027789 AOMDWWSMLIYEDU-AWQFTUOYSA-N 363.204 3.709 30 30 FHEC COc1ccc(NC(=S)N/N=C/c2ccc(N(C)C)cc2Cl)cc1 1041723 QJIHUMZRWKRTGU-YBFXNURJSA-N 362.886 3.735 30 30 FHEC C#Cc1cccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc(Cl)cc2)c1 1034975 NTQVYNBWTQHADK-CYBMUJFWSA-N 361.850 3.512 30 30 FHEC Cc1ccc(C(=O)O/N=C(\N)CSc2ccc(C(F)(F)F)cn2)cc1 4365255 DPPZPKITBQWAET-UHFFFAOYSA-N 369.368 3.630 30 30 FHEC N#Cc1ccc(/C=N/Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 4394991 XLHUJNQZAPSLSH-SRZZPIQSSA-N 362.414 3.899 30 30 FHEC CCOC(=O)/C(=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N+](=O)[O-] 13469447 URLJQKLFHVTUFX-UXBLZVDNSA-N 372.221 3.817 30 30 FHEC Cc1cc(N(CCO)CCO)ccc1/N=N/c1ccc(C#N)c(Cl)c1 111401558 AZLVLRPFHNHJOR-QURGRASLSA-N 358.829 3.727 30 30 FHEC CC(C)=NOC(=O)NC[C@]1(C)C[C@@H](NC(=O)ON=C(C)C)CC(C)(C)C1 145772452 VJFROPFOQQFWTP-KBXCAEBGSA-N 368.478 3.815 30 30 FHEC CC(C)CC[C@H](O)[C@]1(O)C(O)=C(C(=O)CC(C)C)C(=O)[C@H]1CCC(C)C 114649542 FUTYYOXQMQKWGM-KUDFPVQQSA-N 368.514 3.577 30 30 FHEC O=C1N(Cc2ccccc2)[C@@H]2C[S@+]3CCC[C@@H]3[C@@H]2N1Cc1ccccc1 3831583 CHQOEHPMXSHGCL-AXMKBWGCSA-N 365.522 3.656 30 30 FHEC biogenic,world CCCCCn1c(Sc2nc3ccccc3c(C)c2C#N)n[nH]c1=O 4366470 SCYLYGMWHITUPJ-UHFFFAOYSA-N 353.451 3.641 30 30 FHEC COc1cc(C(=O)Nc2ccccc2SCCC#N)cc(OC)c1OC 3185813 JFKFIRWJCJAWSO-UHFFFAOYSA-N 372.446 3.970 30 30 FHEC Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)/N=C(\N)N1CCCC1 15923446 NIYGHLFZKWUHJC-UHFFFAOYSA-N 367.236 3.508 30 30 FHEC O=C(ON=C1CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccco1 254488880 QVLBZDANHVVABB-LBPRGKRZSA-N 373.321 3.967 30 30 FHEC N/C(CSCc1ccco1)=N\OC(=O)c1ccc(C(F)(F)F)cc1 4394472 JDBJFQUBEZIXPK-UHFFFAOYSA-N 358.341 3.661 30 30 FHEC Oc1c(Cl)cc(Cl)cc1/C=N/NC(=S)NNc1ccccc1 1045623 XCNULKYYEOSVBM-CAOOACKPSA-N 355.250 3.524 30 30 FHEC CN1N=C(Nc2ccccc2Cl)/C(=N\Nc2cccc(Cl)c2)C1=O 13125173 LTELTHPAKDHILV-KGENOOAVSA-N 362.220 3.659 30 30 FHEC CCCCCC(=O)/C=C/[C@H]1[C@@H]2CC(=O)O[C@@H]2C[C@H]1OC(=O)c1ccccc1 263584264 OCWSJGXEQPXXSZ-HBUMYLOMSA-N 370.445 3.869 30 30 FHEC COc1ccc(-n2cnc3c(C#N)c(C#N)c(-c4ccccc4)nc32)cc1 39140266 FVXZACMZCAHCRY-UHFFFAOYSA-N 351.369 3.839 30 30 FHEC CS/C(=N/S(=O)(=O)c1ccccc1)NCCc1ccc(Cl)cc1 4323225 ORQRZOGDZWCIBZ-UHFFFAOYSA-N 368.911 3.580 30 30 FHEC COc1cccc(C(=O)/C(C#N)=N/Nc2cccc(-c3ccnc(C)n3)c2)c1 15919739 PRCHBSXXKSNQKI-LHLOQNFPSA-N 371.400 3.635 30 30 FHEC Cc1cc(C)c2c(n1)sc1c(=O)n(/N=C/c3ccc(F)cc3)cnc12 1035728 KPCOJPRHEWVUEP-ODCIPOBUSA-N 352.394 3.644 30 30 FHEC COc1cc(OC)c2c(c1Cl)O[C@@]1(C2=O)C(SC)=CC(=O)C[C@@H]1C 1701881 DCCZLOASKLQMQQ-WNWIJWBNSA-N 368.838 3.527 30 30 FHEC biogenic,in-vitro CC(=O)C1=NN(c2ccc(C)cc2)C(=C2C(=O)c3ccccc3C2=O)S1 1034761 KVOKZOVBVGGBNK-UHFFFAOYSA-N 362.410 3.742 30 30 FHEC CCN(CC)c1ccc2c(c1)Oc1cc(=C(C#N)C#N)c3ccccc3c1=N2 641988 KBUOXJASBLFQRF-UHFFFAOYSA-N 366.424 3.941 30 30 FHEC Cc1ccc(NC(=O)C[N+](C)(C)CC(=O)Nc2c(C)cccc2C)c(C)c1 2038039 YWYQEZONDHBNPS-UHFFFAOYSA-O 368.501 3.574 30 30 FHEC CCOC(=O)NC(Nc1ccc(C#N)cc1)(C(F)(F)F)C(F)(F)F 3183343 JULDNSSXHRVJJF-UHFFFAOYSA-N 355.238 3.537 30 30 FHEC Cc1ccc(S(=O)(=O)N2CCC(C#N)(c3ccc(Cl)cc3)CC2)cc1 33506639 ZEGYIHGGFOWHNZ-UHFFFAOYSA-N 374.893 3.895 30 30 FHEC Cc1ccc(S(=O)(=O)NN=C(Cc2ccccc2)c2ccccc2)cc1 254293620 INMYHVHTZKDKDK-UHFFFAOYSA-N 364.470 3.920 30 30 FHEC CC(C)CC[C@H](O)[C@]1(O)C(O)=C(C(=O)CC(C)C)C(=O)[C@@H]1CCC(C)C 114647679 FUTYYOXQMQKWGM-WJPUGNRLSA-N 368.514 3.577 30 30 FHEC