smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccccc1[C@@H]1CC(c2ccc3ccccc3c2O)=NN1 96938892 MRRGXPWFZUZLSG-KRWDZBQOSA-N 318.376 3.993 10 1 DHCF Cc1nc(-c2ccc(F)cc2)cc2c1C(=O)c1ccccc1C2=O 96933702 WDJBRCNDZNZREM-UHFFFAOYSA-N 317.319 3.972 10 1 DHCF COc1ccc(/N=N\[C@H]2C(=O)N(c3ccccc3)N=C2C)cc1 102720734 VMIFGCLMTUIMRX-OZNQOIHVSA-N 308.341 3.570 10 1 DHCF C[C@@H]1[C@@H](c2ccc(O)c(O)c2)O[C@@H](c2ccc(O)c(O)c2)[C@@H]1C 35465238 UOYOHSSZOSFAOQ-MOGXELDJSA-N 316.353 3.594 10 1 DHCF biogenic,in-vitro COc1ccc2nc3ccccc3c(NCCn3ccnc3)c2c1 45316954 QIPDQZLNHYTUMR-UHFFFAOYSA-N 318.380 3.705 10 1 DHCF Oc1ccc2[nH]c(-c3ccccc3)nc2c1CNC1CCCC1 84604781 GEKXNHNZPTWHCM-UHFFFAOYSA-N 307.397 3.968 10 1 DHCF O=[N+]([O-])c1cccc2ccc(/C=C/c3ccc(O)c(O)c3)nc12 13780421 SUQHOZYLBZTZAT-QPJJXVBHSA-N 308.293 3.725 10 1 DHCF CCN1CCc2c(cc(O)c(O)c2Cl)[C@@H](c2ccccc2)C1 27108294 CKKXSCMKDYHCMK-OAHLLOKOSA-N 317.816 3.761 10 1 DHCF CCn1c(O)c(/N=N\C(=O)[C@H](O)c2ccccc2)c2ccccc21 102684413 QPCFRTHWZMCHNJ-DVSFIDLUSA-N 323.352 3.711 10 1 DHCF C/C(Cl)=C\Cn1c(O)c(N=NC(N)=S)c2ccccc21 377871790 IWPWSPFNBHWTHL-VOEOTSPJSA-N 308.794 3.817 10 1 DHCF Cc1c(-c2cc3c4c(cccc4n2)CC3)[nH]c2cc(O)nc(O)c12 587211301 DDBPQDKEYDKEPO-UHFFFAOYSA-N 317.348 3.596 10 1 DHCF CC(=O)N1N[C@H](c2ccccc2O)C[C@H]1c1ccc(Cl)cc1 28133214 XGJAVTCLHBKTNX-HOTGVXAUSA-N 316.788 3.585 10 1 DHCF CN(C)c1ccc(/C=C2/C=C(Cc3ccccc3)C(=O)O2)cc1 103219668 KSEFAMKSGPUDAN-UYRXBGFRSA-N 305.377 3.819 10 1 DHCF O=C1c2ccccc2C(=O)c2c(O)cc(-c3ccccc3)cc21 96934743 SCXNWZKFOWETSM-UHFFFAOYSA-N 300.313 3.835 10 1 DHCF CNc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1 96269776 SQVGIBXTRLFNOR-UHFFFAOYSA-N 316.364 3.862 10 1 DHCF COc1cccc2c1N[C@H](C(=O)Nc1ccccc1)[C@@H]1CC=C[C@@H]21 1911577998 SDPYPHRUFXBJFY-GMBSWORKSA-N 320.392 3.788 10 1 DHCF O=[N+]([O-])c1ccc(/N=N/Nc2ccc([N+](=O)[O-])cc2F)c(F)c1 72175880 BUSQAGVWBKYCHU-UHFFFAOYSA-N 323.215 3.892 10 1 DHCF Cc1c(F)ccc2c1[C@@](C)(c1c(O)cccc1Cl)NCC2 962373974 KTYJCGNNZQINLK-KRWDZBQOSA-N 305.780 3.902 10 1 DHCF Nc1ccc(Oc2ccc3nc(CCOCC4CC4)[nH]c3c2)cc1 587783128 GKIRVAHBTHDZOM-UHFFFAOYSA-N 323.396 3.907 10 1 DHCF CO[C@H]1OC(=O)c2ccc(-c3ccccc3)c3c(O)c(O)cc1c23 473103979 NKSXYDIGNYGDJU-IBGZPJMESA-N 322.316 3.733 10 1 DHCF COc1cc([C@@H]2c3cc(O)c(O)cc3C[C@H](C)[C@H]2C)ccc1O 13519558 OOLXLJYOMPTXOB-ZDCWMAILSA-N 314.381 3.772 10 1 DHCF biogenic NCCCN1c2cc(Cl)ccc2Sc2cc(O)c(O)cc21 5162060 DGBZHMALEIDADV-UHFFFAOYSA-N 322.817 3.703 10 3 DHCF in-vitro COc1cc2c(c(O)c1O)C[C@H]1[C@@H](C2=O)c2ccccc2C1(C)C 13383515 WQFABVWRBLAEQK-HOCLYGCPSA-N 324.376 3.536 10 1 DHCF biogenic CCOC(=O)c1nc[nH]c1/N=N/c1ccc(O)c2ccccc12 6024575 SMGYFZSOYSBSPT-FMQUCBEESA-N 310.313 3.861 10 1 DHCF CCCC[C@@H]1NC[C@H]2c3ccc(O)c(O)c3Cc3cccc1c32 13479456 JESNJOJDSRVNBV-IRXDYDNUSA-N 309.409 3.968 10 1 DHCF CCCCC[C@H]1C[C@@H](OC(C)=O)C[C@@H](c2ccc(O)c(O)c2)O1 15113598 LXRSVXSQQNRRCE-DAYGRLMNSA-N 322.401 3.830 10 1 DHCF COc1cc(O)c([C@H]2NCCc3cc(Cl)ccc32)cc1Cl 963390594 LDPJVOLJVACNEQ-INIZCTEOSA-N 324.207 3.943 10 1 DHCF CCCCCc1cc(O)cc(O)c1[C@H]1CCC(=O)N1C(C)C 2356284379 YUBPLBSBFSASJG-OAHLLOKOSA-N 305.418 3.902 10 1 DHCF [N-]=[N+]=NCCCCCCc1nc2cc(F)cc(C(=O)O)c2[nH]1 587260663 YOLANVCINGWAAO-UHFFFAOYSA-N 305.313 3.813 10 1 DHCF CC1(C)C(=O)C(=O)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@](C)(C1)C(=O)C[C@H]32 100823543 KYOFWFWEZCLKDW-OLINKRDDSA-N 314.425 3.512 10 1 DHCF endogenous,in-man Oc1ccc(CC[C@@H](O)CCCCc2ccc(O)c(O)c2)cc1 199860677 WPEUAPAFZISHMD-INIZCTEOSA-N 316.397 3.510 10 1 DHCF CCOc1ccc(N2CCC3=C(N)c4ccccc4N[C]32)cc1 2356838346 JRRXQZSLBDQNHZ-UHFFFAOYSA-N 306.389 3.580 10 1 DHCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cnncc3[nH]1)N2 587078203 KOXFGINZPOVTIH-USBNGQNGSA-N 323.787 3.833 10 1 DHCF O=C(Cn1ccnc1/N=N/c1ccc(Cl)cc1)N1CCCC1 1772586328 SSHKGSFFNVKAGH-VHEBQXMUSA-N 317.780 3.574 10 1 DHCF C[C@@H]([C@H]1CCCc2ccccc21)N1Cc2ccc(O)c(O)c2C1=O 45318986 CMQGHZCIONQBDJ-SWLSCSKDSA-N 323.392 3.562 10 1 DHCF CN(C)/N=N/c1ccc2ncnc(N(C)c3ccccc3)c2c1 13527532 MWEWMNFBPPFBQZ-QZQOTICOSA-N 306.373 3.958 10 1 DHCF Cc1cc2c(nn1)-c1cc(OCc3ccccc3)ccc1C2=O 35787432 OMKKTMGPWJJUAR-UHFFFAOYSA-N 302.333 3.575 10 1 DHCF Cc1cccc2c1C(=O)N1CCc3c([nH]c4ccccc34)[C@@H]1N2C 95557271 SKXIYCHENBZPQU-LJQANCHMSA-N 317.392 3.623 10 1 DHCF Cc1ccc(Nc2scc(O)c2C(=O)NC2CC2)cc1C 169730417 WCJCQXYASLTEEL-UHFFFAOYSA-N 302.399 3.706 10 1 DHCF O=c1cc(/N=N/c2cccc(Br)c2)cccc1O 1857647194 MMHDFBJFIRFCCZ-FOCLMDBBSA-N 305.131 3.930 10 1 DHCF O=C(/N=N/C(=O)Nc1cccc(Cl)c1)NCc1cccnc1 28948528 SFKNPWDDOXSRFI-FMQUCBEESA-N 317.736 3.629 10 1 DHCF O=C(O)c1cccc2c(-c3ccncn3)c(-c3ccccc3)[nH]c12 587637794 AAWODLKYTNNPNE-UHFFFAOYSA-N 315.332 3.990 10 1 DHCF Cc1cccc(COc2ccc3c(c2)-c2nnc(C)cc2C3=O)c1 73196515 DRRZSXLTBMFREF-UHFFFAOYSA-N 316.360 3.884 10 1 DHCF C[C@@]12CCCc3coc(c31)C(=O)c1cc3c(cc12)C(=O)CCC3=O 14885589 WZAJCHCYRGUDNA-FQEVSTJZSA-N 320.344 3.626 10 1 DHCF biogenic COc1ccc(OC)c(-c2ccc(O)c(CNCC(C)C)c2)c1 45298673 UVIUYJNFEMWCTC-UHFFFAOYSA-N 315.413 3.822 10 1 DHCF CCC1=CN(CCc2c(C(=O)O)n(C)c3ccccc23)CC=C1 2356847896 PAIPYZJIGSXMBG-UHFFFAOYSA-N 310.397 3.585 10 1 DHCF COc1cccc2c1C(=O)c1snc(-c3ccccc3)c1C2=O 1911576905 BFRMVYAJACXLCX-UHFFFAOYSA-N 321.357 3.594 10 1 DHCF CON1N[C@@H](c2ccccc2O)C[C@@H]1c1ccc(Cl)cc1 28334449 OPVMUXCJGKXJBK-HUUCEWRRSA-N 304.777 3.600 10 1 DHCF Oc1ccc(CCCC2=NO[C@H](Cc3ccccc3)C2)cc1O 49784338 YJKYTRHFGASDEX-QGZVFWFLSA-N 311.381 3.808 10 1 DHCF Oc1ccc(CCCC[C@H](O)CCc2ccc(O)c(O)c2)cc1 64526958 SENGGJLGUFGNIH-INIZCTEOSA-N 316.397 3.510 10 1 DHCF biogenic,in-vitro C[C@@H]1CC(C)(C)n2c(O)c(N=NC(N)=S)c3cccc1c32 377871795 LHIMHWGGFSPKNN-MRVPVSSYSA-N 302.403 3.917 10 1 DHCF CCCC[C@H]1Cc2cc(O)ccc2-c2n1c1ccc(O)cc1[n+]2C 1662025 OSVUHKUZLTZGSX-AWEZNQCLSA-O 323.416 3.831 10 1 DHCF CN(CCO)c1ccc(-c2nc3cc(C(C)(C)C)ccc3[nH]2)cc1 587192737 ASYHYPPWRJXBDD-UHFFFAOYSA-N 323.440 3.956 10 1 DHCF CCCCCc1ccc2c(c1O)C(=O)c1c(OC)cccc1C2=O 13454726 PYGRQUCSIPOBFI-UHFFFAOYSA-N 324.376 3.909 10 1 DHCF Cc1ccc(CN2CCN(c3ccc(-c4ncco4)cc3)CC2)o1 95586000 XLTNAGBYJGLKKA-UHFFFAOYSA-N 323.396 3.565 10 1 DHCF Cc1cc(O)c(C2=NN[C@@H](c3cccc(O)c3)C2)c(C)c1Cl 299867463 YBOFMOGGNYQEEI-CYBMUJFWSA-N 316.788 3.807 10 1 DHCF CN1c2ccccc2C(=S)N2CCc3c([nH]c4ccccc34)[C@@H]21 95553029 XMXAXHZSVLMMTQ-GOSISDBHSA-N 319.433 3.850 10 1 DHCF O=C1NC(=S)S/C1=C\c1cc2cc(F)ccc2nc1Cl 1772619210 JRWZRGQJPGYAMT-YHYXMXQVSA-N 324.789 3.516 10 1 DHCF COc1ccc(C2=N[C@H](C(C)C)N[C@H](c3ccccc3O)C2)cc1 4729356 WYKAPJFLVOOMKV-ICSRJNTNSA-N 324.424 3.907 10 1 DHCF Cc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2N(C)[C@@H]31 95557343 DMPZIQBCIITUPA-LJQANCHMSA-N 317.392 3.623 10 1 DHCF COc1cc2nc(CCCCCCN=[N+]=[N-])[nH]c2cc1OC 587259652 GYPAWFICYMCJLZ-UHFFFAOYSA-N 303.366 3.993 10 1 DHCF CCOC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@H]12 169365816 PUEWEHOAOWONJT-UHIISALHSA-N 311.303 3.722 10 3 DHCF C[C@@H](c1cc2c(o1)C(=O)c1ccccc1C2=O)N1CCCCC1 1857767298 YLORNKJFUFXLIZ-LBPRGKRZSA-N 309.365 3.602 10 1 DHCF O=c1c2c(O)cccc2oc2cccc(-c3ccc(O)c(O)c3)c12 653723566 AZCBIFLCUIPKNE-UHFFFAOYSA-N 320.300 3.730 10 1 DHCF CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C2 5574939 NOYGOWYVUFENNY-OJBHXIBPSA-N 316.397 3.869 10 1 DHCF Cc1cc(C(=O)N=Nc2c(O)n(C(C)C)c3ccccc23)n[nH]1 253995367 WNFIXNFHDRMTJC-UHFFFAOYSA-N 311.345 3.883 10 1 DHCF Cc1oc(C(=O)O)cc1COc1ccc(-c2ccncc2)cc1 169343490 NWSMDWQJARXADD-UHFFFAOYSA-N 309.321 3.927 10 1 DHCF CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC[C@@H]1C[C@H]2OC3=O 2356671247 RTLQYLIGFFIVKK-AJAPIDPKSA-N 302.370 3.651 10 1 DHCF O=[S@](/C=C/c1ccc(O)c(O)c1)CCCCc1ccccc1 169337038 FLMAEIMNFOVVIL-SDNYCIMKSA-N 316.422 3.840 10 1 DHCF CN(C)c1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1 28824603 OBBXDMUVNYZBPW-UHFFFAOYSA-N 307.184 3.998 10 1 DHCF C[C@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc2c(c1)OCO2 238771088 QCBADAYUZALFHP-CHWSQXEVSA-N 314.381 3.884 10 1 DHCF CC1=NN(C(=O)CCc2ccccc2)[C@H](c2ccccc2O)C1 653718471 BXHCTKZTCQMHEO-KRWDZBQOSA-N 308.381 3.674 10 1 DHCF Cc1cc2[nH]c(-c3ccc(N(C)CCO)cc3)nc2cc1Cl 587192889 IPJSKCCGAJUEAA-UHFFFAOYSA-N 315.804 3.620 10 1 DHCF Cc1ccc2cccc(OC(=O)/C=C/c3ccc(O)c(O)c3)c2n1 5931196 UMTKJZMUVSNGQY-JXMROGBWSA-N 321.332 3.573 10 1 DHCF Oc1c(O)c(Cl)c2c(c1Cl)CCNC[C@H]2c1ccccc1 26390143 YSXNPYVYCGILOS-NSHDSACASA-N 324.207 3.682 10 1 DHCF O=c1ccc2ccc3oc4cc(O)c(O)cc4c4c(O)cc1c2c34 238745204 BTVFLABQTPZHFJ-UHFFFAOYSA-N 318.284 3.807 10 1 DHCF O=C1C2=Cc3ccccc3OCC2=NN1c1cccc(Cl)c1 103256983 TWBUKSUYYZBYII-UHFFFAOYSA-N 310.740 3.519 10 1 DHCF O=C(/N=N/C(=O)Nc1ccc(Cl)cc1)NCc1cccnc1 40874201 KYVPPSITOWJQRI-FMQUCBEESA-N 317.736 3.629 10 1 DHCF O=C1c2ccccc2C(=O)c2c(O)cc(-c3ccc(F)cc3)cc21 96934745 WAXWOWSHXSNQOH-UHFFFAOYSA-N 318.303 3.974 10 1 DHCF O=C1c2ccc(Br)cc2C(=O)[C@@]1(F)c1ccccc1 28758647 GFVDICSHRKOYBQ-OAHLLOKOSA-N 319.129 3.693 10 1 DHCF CC(=O)N1N[C@H](c2ccccc2O)C[C@@H]1c1ccc(Cl)cc1 28133200 XGJAVTCLHBKTNX-JKSUJKDBSA-N 316.788 3.585 10 1 DHCF CC(C)(C)[C@H](N)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587258652 HWYSMOUPQPETDI-MRXNPFEDSA-N 310.401 3.983 10 1 DHCF CCn1ccc2cc3c(cc21)CCN3C(=O)Nc1cccnc1 13760584 CBDICMXAVIEZAC-UHFFFAOYSA-N 306.369 3.651 10 1 DHCF CC=C1CN2[C@H]3C[C@H]1[C@H]1CO[C@H](c4c3n(C)c3ccccc43)[C@@H]12 2356537276 NDUXTABOXUQPOS-WPOPLXQKSA-N 306.409 3.571 10 1 DHCF Nc1c(Cc2ccccc2)ccc2c1C(=O)c1ccccc1C2=O 4007414 ULBQUSQYEVFZEX-UHFFFAOYSA-N 313.356 3.635 10 1 DHCF CCCc1scc2c1CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 13762044 WDHPIPIHLLCKBB-KDOFPFPSSA-N 315.438 3.662 10 1 DHCF Nc1cc(Cl)nc(/N=N/Cc2c(O)ccc3ccccc23)n1 169691652 CFKGIOFENUVNJW-DYTRJAOYSA-N 313.748 3.855 10 1 DHCF CCOC(=O)c1c(O)csc1Nc1ccc2c(c1)CCC2 169730431 RYOWAWBOFPBILO-UHFFFAOYSA-N 303.383 3.863 10 1 DHCF Oc1cc2c3ccc(O)c(O)c3n(Cc3ccccc3)c2cc1O 1916187 GNTMXISSMHDCFP-UHFFFAOYSA-N 321.332 3.665 10 1 DHCF CCc1ccc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2c1 587786271 SFIQYQCUQLBBHC-ALCCZGGFSA-N 310.353 3.716 10 1 DHCF O=C1c2ccccc2C(=O)c2c(-c3ccccc3[N+](=O)[O-])coc21 1857750114 NXARMQFGIYKUEY-UHFFFAOYSA-N 319.272 3.630 10 1 DHCF Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C(=O)O)cc1 299849229 AUDGVCULJUKVBZ-UHFFFAOYSA-N 322.324 3.588 10 1 DHCF O=c1oc2ccc(Cl)cc2c2oc3c(F)c(O)c(O)cc3c12 1772589118 AMKIELNGAAODHG-UHFFFAOYSA-N 320.659 3.896 10 1 DHCF CCCCCCc1cc2c(=O)n(CCN=[N+]=[N-])cnc2s1 653726661 YCDFRXLAVLFTDY-UHFFFAOYSA-N 305.407 3.891 10 1 DHCF Oc1cc2c(c(Cl)c1O)CCNC[C@H]2c1ccc(Cl)cc1 27181296 ZEMAAQJTJMZECU-ZDUSSCGKSA-N 324.207 3.682 10 1 DHCF COc1ccc(/N=N/c2c(-c3cccc(OC)c3)[nH][nH]c2=O)cc1 169723220 SKQPRAJXTCGWDU-CZIZESTLSA-N 324.340 3.803 10 1 DHCF CN(C)c1ccc(/C=C/C=C2\C(=O)Nc3ccc(O)cc32)cc1 474608989 NFDDJDICAZYTCY-MJPUSMOISA-N 306.365 3.507 10 1 DHCF Nc1ccc(Oc2ccc3nc(C4CCC(N)CC4)[nH]c3c2)cc1 587256177 BZHKGSFZPHWCIO-UHFFFAOYSA-N 322.412 3.922 10 1 DHCF COC(=O)c1coc(-c2cc(C)n(-c3ccc(F)cc3)c2C)n1 95615559 PMPFPBFKDATMLY-UHFFFAOYSA-N 314.316 3.675 10 1 DHCF COc1cccc(-c2ccc(O)c(CN3CCC[C@@H](C)C3)c2)n1 45386740 YBDAZZAUYYWRTF-CQSZACIVSA-N 312.413 3.695 10 1 DHCF O=c1c(-c2ccc(F)c(Cl)c2)coc2c(O)c(O)ccc12 1857654511 CFBPPOTVUDFQNI-UHFFFAOYSA-N 306.676 3.664 10 1 DHCF CN1c2ccccc2C(=S)N2CCc3c([nH]c4ccccc34)[C@H]21 95553030 XMXAXHZSVLMMTQ-SFHVURJKSA-N 319.433 3.850 10 1 DHCF Cc1nc2ccccn2c1C(=O)N=Nc1c(O)[nH]c2ccccc12 253979216 HCHLRGQSYJIQHE-UHFFFAOYSA-N 319.324 3.754 10 1 DHCF COc1ccc2nc3ccccc3c(N3N=C(C)CC3=O)c2c1 49050954 YATUOXCQFRDMBH-UHFFFAOYSA-N 305.337 3.509 10 1 DHCF CC(C)(C)c1ccc(Cn2cc(-c3ccc(O)c(O)c3)nn2)cc1 473129570 HSGWPNAYQARQCZ-UHFFFAOYSA-N 323.396 3.702 10 1 DHCF Cc1ccc(S(=O)(=O)/N=N\c2c(O)[nH]c3ccccc23)cc1 96901861 VSSQXOURQLCLKF-ZCXUNETKSA-N 315.354 3.655 10 1 DHCF Cc1c(-c2ccc(O)c(O)c2)c(=O)oc2ccc(Cl)cc12 53276411 NBPXVOSSMHRDJZ-UHFFFAOYSA-N 302.713 3.833 10 1 DHCF CCOC(=O)c1nc[nH]c1/N=N\c1c(O)ccc2ccccc12 13121994 QFGQXFPLOJFEDK-VXPUYCOJSA-N 310.313 3.861 10 1 DHCF CCCN1CCc2cc(O)c(O)c3c2[C@@H]1Cc1ccccc1C3 29041749 DOVBELPPXZSOPX-KRWDZBQOSA-N 309.409 3.554 10 1 DHCF C[C@H]1Cc2cc(O)c(O)cc2-c2cc(O)c(O)cc2C[C@@H]1C 1643189 QAIDKUGAYKKTCT-UWVGGRQHSA-N 300.354 3.547 10 1 DHCF biogenic Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc2c(c1)OCO2 261138283 MOOCVPIIYVOPOM-UHFFFAOYSA-N 322.324 3.618 10 1 DHCF Cc1cc(C(=O)/N=N\c2c(O)n(C(C)C)c3ccccc23)n[nH]1 18122030 WNFIXNFHDRMTJC-VXPUYCOJSA-N 311.345 3.883 10 1 DHCF COc1ccc(N(C)Cc2coc(-c3ccc(O)cc3)n2)cc1 72101345 JHOKUIIXXJZGIX-UHFFFAOYSA-N 310.353 3.692 10 1 DHCF Oc1cc2c3cc(O)c(O)cc3n(Cc3ccccc3)c2cc1O 13737758 QAUTVCUKPGQWEQ-UHFFFAOYSA-N 321.332 3.665 10 1 DHCF O=C1C[C@@H](c2cccc(O)c2O)Oc2c1ccc1c2CCCC1 587531588 HGBRCWODVHNZLA-KRWDZBQOSA-N 310.349 3.683 10 1 DHCF Nc1ccc(Oc2ncnc3c2ccn3Cc2ccccc2)cc1 95556060 QMTUBHOTUQQAFF-UHFFFAOYSA-N 316.364 3.854 10 1 DHCF O=[S@@](/C=C/c1ccc(O)c(O)c1)CCCCc1ccccc1 169337036 FLMAEIMNFOVVIL-UFSNDUKISA-N 316.422 3.840 10 1 DHCF Cc1ccnc2c1CCN[C@H]2c1ccc(N2CCC(C)CC2)cc1 963091211 UFVJCDBRPVWJPF-FQEVSTJZSA-N 321.468 3.861 10 1 DHCF Cc1cc(C)c2c3c1[C@H]1C=CC[C@@H]1[C@@H](C(=O)O)N3C[C@@H]1CC=C[C@@H]21 4132328 JAJKMVIDKDCQDH-SPCJURDBSA-N 321.420 3.910 10 1 DHCF O=C1C2=Cc3ccccc3OCC2=NN1c1ccc(Cl)cc1 103256981 IGNDJGHHESZJIA-UHFFFAOYSA-N 310.740 3.519 10 1 DHCF COc1ccc2nc3cc(Cl)ccc3c(NCCCO)c2c1 4427553 SKLTYFULQBSOSK-UHFFFAOYSA-N 316.788 3.844 10 1 DHCF COc1ccc2[nH]c(O)c(/N=N/C(=O)Cc3cccs3)c2c1 101956094 WVSZVFXTFKGPSP-ISLYRVAYSA-N 315.354 3.797 10 1 DHCF C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc2c(c1)OCO2 2356614330 QCBADAYUZALFHP-QWHCGFSZSA-N 314.381 3.884 10 1 DHCF COC(=O)CCC(=O)Nc1ccc(/N=N\c2ccccc2)cc1 101425586 YHJCZDRJNFPONS-VXPUYCOJSA-N 311.341 3.994 10 1 DHCF Cc1cc(C(F)(F)F)n2[nH]c(=O)c(N=Nc3ccccc3)c2n1 263592123 MSDKABSMDASZQT-UHFFFAOYSA-N 321.262 3.765 10 3 DHCF Nc1ccc(Oc2ccc3nc(-c4cncc(N)c4)[nH]c3c2)cc1 587253995 JPKFIMZWTPFDLV-UHFFFAOYSA-N 317.352 3.582 10 1 DHCF C[C@]1(c2ccc(O)c(O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587532799 NYMKDRQIQOQOOF-HXUWFJFHSA-N 324.376 3.857 10 1 DHCF Fc1ccc(NCCCn2c3c(c4ccccc42)CCNC3)cc1 1857600801 WYPRMOQNNBLBSJ-UHFFFAOYSA-N 323.415 3.928 10 1 DHCF CC(C)CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3 27518476 NVFJFPLZIORLGC-MRXNPFEDSA-N 309.409 3.876 10 1 DHCF COc1cccc(C2=N[C@@H](C(C)C)N[C@H](c3ccccc3O)C2)c1 4729681 FTHZZMSVKMCFGJ-AZUAARDMSA-N 324.424 3.907 10 1 DHCF CC(=O)N1N[C@@H](c2ccccc2O)C[C@H]1c1ccc(Cl)cc1 28133206 XGJAVTCLHBKTNX-CVEARBPZSA-N 316.788 3.585 10 1 DHCF Cc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccccc34)[C@@H]1N2C 95555299 MZWABRRIUFTTQU-LJQANCHMSA-N 317.392 3.623 10 1 DHCF CC(C)=CCc1c(O)cc(O)c2c1CCc1cc(O)c(O)cc1-2 5854460 UEXOPXIMQJMWKA-UHFFFAOYSA-N 312.365 3.783 10 1 DHCF endogenous,in-man O=C(O)c1cccc2ccc(/C=C/c3ccc(O)c(O)c3)nc12 27524784 YPXWTCFVOOSATI-QPJJXVBHSA-N 307.305 3.515 10 1 DHCF CCCNC(=O)c1c(O)csc1Nc1ccc(C)c(C)c1 169730419 KJFKVVYZHXNSKX-UHFFFAOYSA-N 304.415 3.954 10 1 DHCF COc1cc(/C=C\c2nc3ccc(C)c(C)c3[nH]2)cc(O)c1O 587785600 OBDPHKMCNNJXCW-ALCCZGGFSA-N 310.353 3.770 10 1 DHCF C[C@@H](c1cccc2ccccc12)N1Cc2ccc(O)c(O)c2C1=O 45245079 XTZMVWLJNQCKMJ-LBPRGKRZSA-N 319.360 3.968 10 1 DHCF COc1ccc(/C=C2\SC(c3cccc(F)c3)=NC2=O)cc1 71329522 HJPRUBRUVXSWSI-DHDCSXOGSA-N 313.353 3.895 10 1 DHCF Cc1cc(C)n2nc(N)c(/N=N\c3cccc(Cl)c3)c2n1 13116689 AYTMKTRTLCIZGP-HNENSFHCSA-N 300.753 3.997 10 1 DHCF CN(/N=N\c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 102540085 HZAKFGZJEPYHIC-PFONDFGASA-N 301.262 3.638 10 1 DHCF CC(C)c1ccc(Cn2cc(-c3ccc(O)c(O)c3)nn2)cc1 473130754 LLEWMHCIOFGAJM-UHFFFAOYSA-N 309.369 3.528 10 1 DHCF O=S(=O)(/C=C/c1ccc(O)c(O)c1)CCCC1CCCCC1 1857552747 SBTOEYZRNHTQQU-ZRDIBKRKSA-N 324.442 3.844 10 1 DHCF O=c1c(-c2ccc(C(F)(F)F)cc2)coc2c(O)c(O)ccc12 1857772579 FEGBEJXAMVWAFV-UHFFFAOYSA-N 322.238 3.890 10 1 DHCF O=C1C(c2ccccc2)=S(O)c2ccccc2-n2cccc21 169714212 UFEIYDWGAFHVQL-UHFFFAOYSA-N 307.374 3.995 10 1 DHCF O=c1oc2cc(NCc3ccccc3O)ccc2c2c1CCC2 299854720 AHWJOKMXZXPFMM-UHFFFAOYSA-N 307.349 3.599 10 1 DHCF CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC[C@H]1C[C@H]2OC3=O 2356671248 RTLQYLIGFFIVKK-CRPGXEFLSA-N 302.370 3.651 10 1 DHCF CO[C@]12CCCC[C@H]1[C@H]1O[C@H](C)[C@@H](C)c3c(O)c(O)cc(c31)O2 299867503 YDRQQUSYQSDEOI-OPIPNKKXSA-N 320.385 3.586 10 1 DHCF Cc1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](C(=O)O)N3C[C@H]1CC=C[C@H]21 4132297 MWQDELXFQPFTJG-QWHKOUAISA-N 307.393 3.601 10 1 DHCF CN1N=C(c2ccc(O)cc2O)C[C@@H]1c1cccc(Cl)c1 96921788 HRDLYKLTNMIJLI-OAHLLOKOSA-N 302.761 3.532 10 1 DHCF O=C(/N=N/C(=O)Nc1cccc(Cl)c1)NCc1ccncc1 28948530 LJCNGRZPFCIZRA-FMQUCBEESA-N 317.736 3.629 10 1 DHCF Cc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2N(C)[C@H]31 95557344 DMPZIQBCIITUPA-IBGZPJMESA-N 317.392 3.623 10 1 DHCF CC(=O)N1c2ccccc2N(Cc2ccccc2O)C[C@@H]1C1CC1 1857763931 WMZULNMVYKYGTR-LJQANCHMSA-N 322.408 3.544 10 1 DHCF Cc1cc(C)n2[nH]c(=O)c(/N=N\c3cccc(Cl)c3)c2n1 18126159 VIOLTJJTQCXMOC-ZCXUNETKSA-N 301.737 3.708 10 1 DHCF Oc1ccc(CCCC2=NO[C@@H](Cc3ccccc3)C2)cc1O 49784339 YJKYTRHFGASDEX-KRWDZBQOSA-N 311.381 3.808 10 1 DHCF O=C(/C=C/c1ccc(O)c(O)c1)OC12CC3CC(CC(C3)C1)C2 299828086 HAPQWLDFIIDCDG-DUXPYHPUSA-N 314.381 3.623 10 1 DHCF O=C1c2ccccc2C(=O)c2[nH]c(-c3cccc(Cl)c3)nc21 1857655582 HLLNEXVBZMXHSA-UHFFFAOYSA-N 308.724 3.506 10 1 DHCF CSc1cc2c3c(c1)-c1c(ccc(O)c1O)C[C@H]3N(C)CC2 40392887 OTNVAWFTTKQJMY-CQSZACIVSA-N 313.422 3.572 10 1 DHCF Cc1ccnc2c1CCN[C@]2(C)c1ccc(C(F)(F)F)cc1O 963068332 KJTFUQHYQFDQOY-MRXNPFEDSA-N 322.330 3.524 10 1 DHCF CCCN(CCC)[C@@H]1CCc2ccc3c(c(C=O)cn3C)c2C1 13741722 WZFMGRURRVAGFE-QGZVFWFLSA-N 312.457 3.970 10 1 DHCF CN1N=C(c2ccc(O)cc2O)C[C@H]1c1ccc(Cl)cc1 96921789 HFHWYLAUMSLTRE-HNNXBMFYSA-N 302.761 3.532 10 1 DHCF COc1c(O)c(O)cc(-c2ccc(O)cc2)c1CC=C(C)C 238776949 DEPMDNKIRJLXNM-UHFFFAOYSA-N 300.354 3.988 10 1 DHCF [N-]=[N+]=NCCCCCCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 587259375 DKLBLTOEZYOISX-UHFFFAOYSA-N 312.377 3.861 10 1 DHCF Cc1cc2c(cc1F)[C@@H](c1cc(Cl)cc(C=O)c1O)NCC2 962091130 JORDIEKZLRNDFG-INIZCTEOSA-N 319.763 3.541 10 1 DHCF CC1(C)C(=O)C(=O)C[C@]2(C)[C@@H]1CC[C@]13C=C[C@@](C)(C1)C(=O)C[C@@H]23 100823548 KYOFWFWEZCLKDW-QPDGGIQXSA-N 314.425 3.512 10 1 DHCF endogenous,in-man COc1cc2c(c(O)c1O)C[C@@H]1[C@@H](C2=O)c2ccccc2C1(C)C 13383517 WQFABVWRBLAEQK-ZBFHGGJFSA-N 324.376 3.536 10 1 DHCF biogenic COc1cc([C@@H]2c3cc(O)c(O)cc3C[C@@H](C)[C@H]2C)ccc1O 6031628 OOLXLJYOMPTXOB-XCJKDKRRSA-N 314.381 3.772 10 1 DHCF biogenic O=C(Cc1ccc2ccccc2c1)c1cc(O)c(O)c([N+](=O)[O-])c1 27755697 QYTQZQCANLZZMK-UHFFFAOYSA-N 323.304 3.585 10 1 DHCF CCCC(=O)OCc1ccc2nc3ccc(OC)cc3c(N)c2c1 58576070 JBTSXFSTLWACAY-UHFFFAOYSA-N 324.380 3.822 10 1 DHCF COc1ccccc1N=Nc1c(C)[nH]n(-c2ccccc2)c1=O 299849284 DXOYLNFZQAGRCF-UHFFFAOYSA-N 308.341 3.898 10 1 DHCF Cc1ccc(Nc2scc(O)c2C(=O)NCC2CC2)cc1C 169730416 JYTAUDVCWAVAQG-UHFFFAOYSA-N 316.426 3.954 10 1 DHCF [N-]=[N+]=NCCCCCCc1nc2cnc(C(F)(F)F)[nH]c-2n1 587260655 YBUYJHMWUCUQHV-UHFFFAOYSA-N 313.287 3.737 10 1 DHCF COc1cc(/C=C\c2nc3ccc(F)c(C)c3[nH]2)cc(O)c1O 587784553 ACMZHIYXIICCAV-UTCJRWHESA-N 314.316 3.601 10 1 DHCF Oc1ccc(CN=c2c3c([nH]c4ccccc24)CCCC3)cc1O 1857588750 DHQHCSROVOIZIA-UHFFFAOYSA-N 320.392 3.559 10 1 DHCF Fc1ccccc1OCCCn1c2c(c3ccccc31)CCNC2 1857618528 SYKATAWBWFCLHD-UHFFFAOYSA-N 324.399 3.895 10 1 DHCF CC(C)=CCCC(C)=CCOC(=O)c1cc(O)c(O)c(O)c1 2356341378 MSJJHLNDRMIKET-UHFFFAOYSA-N 306.358 3.653 10 1 DHCF CCC(=O)c1cc2c(s1)C(=O)c1c(Cl)cccc1C2=O 653700242 BODQMOAWRSNNIC-UHFFFAOYSA-N 304.754 3.770 10 1 DHCF Cc1ccc(NCc2nc3c(o2)-c2ccccc2C(=O)C3=O)cc1 653700773 DTYDWSRLQOYQRW-UHFFFAOYSA-N 318.332 3.641 10 1 DHCF CN(C)/N=N/c1ccc2ncnc(NCc3ccccc3)c2c1 13527544 OIRWZNNJKRUVCD-QURGRASLSA-N 306.373 3.802 10 1 DHCF C=C(c1ccc(N(C)C)cc1)c1cc(OC)c(OC)c(OC)c1 473110952 YJPWCOSTJRVORJ-UHFFFAOYSA-N 313.397 3.840 10 1 DHCF Cc1ccc([C@H]2CN(C)CCc3c2cc(O)c(O)c3Cl)cc1 89464570 WGXCRBHBCVCFFQ-OAHLLOKOSA-N 317.816 3.679 10 1 DHCF COc1ccc2[nH]cc(/C=C3/C(=O)Nc4ccc(F)cc43)c2c1 1772640858 DNRRGJOKYJRSRC-GIDUJCDVSA-N 308.312 3.808 10 1 DHCF Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1cccc(C(=O)O)c1 169330554 ZSFHBUZPDGQFJX-VHEBQXMUSA-N 322.324 3.588 10 1 DHCF CO[C@@]1(C)CCCc2c1ccc1c2C(=O)C(=O)c2c(C)coc2-1 2356355591 UQINOKJCWAILFO-IBGZPJMESA-N 310.349 3.832 10 1 DHCF CC(=O)c1ccc(-c2cc3c(nn2)-c2ccccc2C3=O)cc1 13743561 XKOKLLKEPCSCSE-UHFFFAOYSA-N 300.317 3.558 10 1 DHCF CN(Cc1c(O)c(Cl)cc(Cl)c1Cl)C[C@H]1CCCO1 27858734 XMOSWDKYSXJTAQ-MRVPVSSYSA-N 324.635 3.963 10 1 DHCF Cc1cc(C)n2cc(/C=C/c3nc(-c4ccco4)cn3C)nc2n1 117859745 HRLHFIWVVVFFOZ-VOTSOKGWSA-N 319.368 3.510 10 1 DHCF COc1cc(Cl)c2c(c1O)CN1CCc3sccc3[C@H]1C2 1857747189 UZQVLKNOGUDHLE-CYBMUJFWSA-N 321.829 3.771 10 1 DHCF CCCCCC(=O)N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12 253928471 JWHRRKNXOIGTOI-UHFFFAOYSA-N 304.306 3.972 10 1 DHCF aggregator CCC(=O)N[C@@H](c1cc(Cl)c2cccnc2c1O)C(C)C 36388627 FNQGVPNQTPYWCH-CQSZACIVSA-N 306.793 3.817 10 3 DHCF O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c1ccc1ccccc12 73291895 VPXQCFYCRKTFHT-UHFFFAOYSA-N 320.300 3.730 10 1 DHCF C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4C(=O)C(=O)CC[C@@]43C)[C@@H]1CCCC2=O 169712907 JZBWRIMACSWPDT-LBWJTHHXSA-N 316.441 3.736 10 1 DHCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCC[C@@]2(C)CCO 2356590042 CBDSKLLQLAJFPN-FQEVSTJZSA-N 324.376 3.610 10 1 DHCF Oc1cc2c(c(Cl)c1O)CCNC[C@H]2c1cccc(Cl)c1 27182401 OQZFIWXXTFHXFY-ZDUSSCGKSA-N 324.207 3.682 10 1 DHCF COc1cc(/C=C\c2nc3ccc(Cl)cc3[nH]2)cc(O)c1O 587785624 OHHHKKRGVWORLH-DJWKRKHSSA-N 316.744 3.807 10 1 DHCF CCN(Cc1coc(-c2ccco2)n1)c1ccc2c(c1)OCO2 72184761 MHXNSJPRCAKFFF-UHFFFAOYSA-N 312.325 3.690 10 1 DHCF COc1cc(/N=N/c2ccc(O)c(O)c2)cc(OC)c1OC 1857629077 HREOQXKSSXJSDK-WUKNDPDISA-N 304.302 3.539 10 1 DHCF O=C(/N=N/c1c(O)[nH]c2ccccc12)c1ccc2c(c1)OCO2 13126773 LNHIHSORYNAWNR-VHEBQXMUSA-N 309.281 3.526 10 1 DHCF COc1ccc2[nH]cc(/C=C3\C(=O)Nc4ccc(F)cc43)c2c1 1772640859 DNRRGJOKYJRSRC-UUASQNMZSA-N 308.312 3.808 10 1 DHCF COc1cccc(C2=N[C@H](C(C)C)N[C@@H](c3ccccc3O)C2)c1 4729682 FTHZZMSVKMCFGJ-QUCCMNQESA-N 324.424 3.907 10 1 DHCF CCCCNC1=NC(=O)/C(=C/c2ccc3ncccc3c2)S1 28821251 MULHGWOKCNVHOA-PTNGSMBKSA-N 311.410 3.595 10 1 DHCF COc1cc(/N=N\c2ccccc2C(=O)O)cc(OC)c1O 103550048 OUUSCQGLQHBVJX-MSUUIHNZSA-N 302.286 3.523 10 1 DHCF in-vitro C=C/[N+]([O-])=N/CCCCCCCCn1cc(CC(C)C)nn1 1857551960 CQCMGWJKKUVFBX-FXBPSFAMSA-N 307.442 3.923 10 1 DHCF CC/C=C/c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 45394112 YWEMTWDMXIHWLL-FPYGCLRLSA-N 302.333 3.762 10 1 DHCF CC(=O)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccccc1Cl 13560418 KDUPADFOIVGVKY-KRWDZBQOSA-N 314.772 3.743 10 1 DHCF CN1N=C(c2ccc(O)cc2O)C[C@@H]1c1ccccc1Cl 96921786 FOKCUXSBXKVVKH-OAHLLOKOSA-N 302.761 3.532 10 1 DHCF Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1cccc([N+](=O)[O-])c1 299849692 QJYIAHAHHKCDRF-UHFFFAOYSA-N 323.312 3.798 10 1 DHCF CCOc1cccc2c1C(=O)c1c(OCC)cc(C)cc1C2=O 169343707 YLTSEZHZSHGSNM-UHFFFAOYSA-N 310.349 3.568 10 1 DHCF O=C(/C=C/c1cc(O)c(O)c(Cl)c1)OCCc1ccccc1 299826580 DQDQETVSKXIFBN-VOTSOKGWSA-N 318.756 3.550 10 1 DHCF Oc1ccc(-c2cc3c(Br)ccc(O)c3o2)cc1O 299864399 MKENOQJOWSJRDW-UHFFFAOYSA-N 321.126 3.979 10 1 DHCF CCn1c(O)c(N=NC(=O)[C@H](O)c2ccccc2)c2ccccc21 253993229 QPCFRTHWZMCHNJ-MRXNPFEDSA-N 323.352 3.711 10 1 DHCF Cc1cc(Br)c(-n2c(C)ccc2C)c(C(=O)O)c1 1857613453 TWPIJRHHKDBEJW-UHFFFAOYSA-N 308.175 3.863 10 1 DHCF COc1ccc2nc3ccccc3c(NC[C@@H]3CCCO3)c2c1 45318906 ZUWQXXNGQCIRGT-AWEZNQCLSA-N 308.381 3.988 10 1 DHCF COc1cc(/C=C\c2nc3cc(C)cc(C)c3[nH]2)cc(O)c1O 587785908 PQSKWRHTRVOWLF-PLNGDYQASA-N 310.353 3.770 10 1 DHCF Cc1cc(C)nc(/N=N/Cc2cc(Br)ccc2O)n1 169689573 CTEZXZPCYABFAF-OBGWFSINSA-N 321.178 3.845 10 1 DHCF CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC[C@@H]1C[C@@H]2OC3=O 238777204 RTLQYLIGFFIVKK-SBOFIZKASA-N 302.370 3.651 10 1 DHCF c1cc(N2CCCCC2)ccc1OCCCN1CCCCC1 72179514 UBMOUNGQOGVEEQ-UHFFFAOYSA-N 302.462 3.932 10 1 DHCF Cc1cc2oc(=O)c3c4cc(O)c(O)c(F)c4oc3c2cc1C 1772616252 IANGIUOCVLHPMH-UHFFFAOYSA-N 314.268 3.860 10 1 DHCF Oc1c(O)c(Cl)c2c(c1Cl)CCNC[C@@H]2c1ccccc1 26390140 YSXNPYVYCGILOS-LLVKDONJSA-N 324.207 3.682 10 1 DHCF Oc1cccc(-c2nnc(-c3ccc4[nH]ccc4c3)s2)c1O 1911581000 ZBPFKPAHAGNLNO-UHFFFAOYSA-N 309.350 3.765 10 1 DHCF Oc1ccc(-c2cc3cc(Br)cc(O)c3o2)cc1O 299864105 LXVYGGMNBMCKMV-UHFFFAOYSA-N 321.126 3.979 10 1 DHCF O=C1COC(c2ccc(/N=N/c3cccc(Cl)c3)cc2)=NN1 1772616984 RSJDPJRFUFROTK-ISLYRVAYSA-N 314.732 3.563 10 1 DHCF CCc1ccc2c(c1)c(/N=N/C1=NC(=O)CS1)c(O)n2CC 101864081 PSQRPUNVKZWTEY-ISLYRVAYSA-N 316.386 3.642 10 1 DHCF Cc1nc2ccccn2c1C(=O)/N=N/c1c(O)[nH]c2ccccc12 101848768 HCHLRGQSYJIQHE-QZQOTICOSA-N 319.324 3.754 10 1 DHCF COc1cc2c(c(O)c1C/C=C(/C)CCC=C(C)C)CNC2=O 214873383 AXUYTAQZPXNVBF-JYRVWZFOSA-N 315.413 3.879 10 1 DHCF C[C@]1(c2c(O)cccc2O)c2c(F)cccc2C[C@H]2CCCN21 963099874 IQPXWQYDKNQIOJ-BFUOFWGJSA-N 313.372 3.521 10 1 DHCF Cc1c(CN2CCCCC2)oc2c1C(=O)C(=O)c1ccccc1-2 169353275 MBGZKFFIUFYKGZ-UHFFFAOYSA-N 309.365 3.620 10 1 DHCF CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)C=Cc1ccc(O)c(O)c1)C2 2356483529 NOYGOWYVUFENNY-AXHNFQJDSA-N 316.397 3.869 10 1 DHCF C[C@@]1(c2c(O)cccc2O)c2c(F)cccc2C[C@H]2CCCN21 963099881 IQPXWQYDKNQIOJ-YJYMSZOUSA-N 313.372 3.521 10 1 DHCF Nc1ccc(Oc2ccc3[nH]c(/C=C/C=C\C(=O)O)nc3c2)cc1 587969108 QBJZLOBBNDKPLW-TZFCGSKZSA-N 321.336 3.591 10 1 DHCF Oc1cccc(/C=C/c2cc(/C=C/c3ccc(O)c(O)c3)n[nH]2)c1 299837045 OEJYMAFBTRUKKB-NSLJXJERSA-N 320.348 3.867 10 1 DHCF O=C(O)c1cccc2nc(/C=C/c3ccc(O)c(O)c3)ccc12 27523254 HEWUUAKZKQGOTR-GQCTYLIASA-N 307.305 3.515 10 1 DHCF Cc1cc(Br)cc2c(/N=N/C(=N)S)c(O)[nH]c12 103960117 JYTPBAUVTOKKHL-CCEZHUSRSA-N 313.180 3.893 10 1 DHCF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cc(CO)ccc1O 963230737 AEJBKMRQLGXHQC-JLTOFOAXSA-N 311.425 3.631 10 1 DHCF Cc1c(/N=N/c2ccc(O)cc2)c(=O)n(-c2ccccc2)n1C 101498556 DCCUAOUTZOLKIT-VHEBQXMUSA-N 308.341 3.605 10 1 DHCF CO[C@@H]1OC(=O)c2ccc(-c3ccccc3)c3c(O)c(O)cc1c23 473103980 NKSXYDIGNYGDJU-LJQANCHMSA-N 322.316 3.733 10 1 DHCF COc1cc(/C=C\c2nc3c(C)ccc(C)c3[nH]2)cc(O)c1O 587785154 IHJLJGGENHJRKP-SREVYHEPSA-N 310.353 3.770 10 1 DHCF CCCN(CCC)[C@H]1CCc2ccc3c(c(C=O)cn3C)c2C1 13741723 WZFMGRURRVAGFE-KRWDZBQOSA-N 312.457 3.970 10 1 DHCF C[C@@H]1[C@H](c2ccc(O)cc2)O[C@@H](c2ccc(O)c(O)c2)[C@@H]1C 87529833 HKSHEXWQPGOEAT-ZKINDDDQSA-N 300.354 3.888 10 1 DHCF in-vitro CC1(C)C(=O)C(=O)C[C@]2(C)[C@@H]1CC[C@]13C=C[C@](C)(C1)C(=O)C[C@H]23 104366598 KYOFWFWEZCLKDW-MOPYOMAISA-N 314.425 3.512 10 1 DHCF in-man COc1ccc2c(c1)C(=O)c1c(cc3c(c1C)CC=C3C)C2=O 14715622 OUZOLRKHSBVVKN-UHFFFAOYSA-N 304.345 3.738 10 1 DHCF biogenic,in-vitro O=C(Cc1cccc2ccccc12)c1cc(O)c(O)c([N+](=O)[O-])c1 27755705 BIDJYWKATHEJFF-UHFFFAOYSA-N 323.304 3.585 10 1 DHCF C[C@H](c1ccc2ccccc2c1)N1Cc2ccc(O)c(O)c2C1=O 45321205 NQEOPTDQEMMYIR-GFCCVEGCSA-N 319.360 3.968 10 1 DHCF CN(C)c1ccc([C@H]2COC(c3c(F)cccc3F)=N2)cc1 98082151 DPGXDGSUWNJVNX-OAHLLOKOSA-N 302.324 3.549 10 1 DHCF O=c1oc2ccc(Cl)cc2nc1/C=C(\O)c1cccs1 101958802 CHBXMWOMGIWOGQ-XFFZJAGNSA-N 305.742 3.959 10 1 DHCF COc1cc(-c2ccc(O)cc2)c(O)c(O)c1-c1ccc(O)cc1 1857762544 HDXIDAAYQIUQQS-UHFFFAOYSA-N 324.332 3.852 10 1 DHCF CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C2 105377928 NOYGOWYVUFENNY-FAQVLDFUSA-N 316.397 3.869 10 1 DHCF CCCCCc1cc(O)cc(O)c1[C@@H]1CCC(=O)N1C(C)C 2356284378 YUBPLBSBFSASJG-HNNXBMFYSA-N 305.418 3.902 10 1 DHCF Cc1cc(C(=O)/N=N/c2c(O)n(C(C)C)c3ccccc23)n[nH]1 101957544 WNFIXNFHDRMTJC-FMQUCBEESA-N 311.345 3.883 10 1 DHCF Nc1ccc(Oc2ccc3nc(-c4csc(O)n4)[nH]c3c2)cc1 587017265 KAGGGTMQWWSRFW-UHFFFAOYSA-N 324.365 3.767 10 1 DHCF Oc1ccc(-c2n[nH]cc2-c2ccc(Cl)cc2)c(O)c1O 1857767664 OTCNTHCKKGEUQP-UHFFFAOYSA-N 302.717 3.514 10 1 DHCF CCC(=O)N[C@H](c1cc(Cl)c2cccnc2c1O)C(C)C 36380890 FNQGVPNQTPYWCH-AWEZNQCLSA-N 306.793 3.817 10 3 DHCF Cc1cccc2c1N(C)[C@@H]1c3[nH]c4ccccc4c3CCN1C2=O 95552967 QMQQAASOQCCEOB-IBGZPJMESA-N 317.392 3.623 10 1 DHCF CC=C1CN2[C@H]3C[C@H]1[C@@H]1CO[C@H](c4c3n(C)c3ccccc43)[C@@H]12 2356537275 NDUXTABOXUQPOS-PJMNMZBVSA-N 306.409 3.571 10 1 DHCF CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C2 1567094 NOYGOWYVUFENNY-BPZFTQGSSA-N 316.397 3.869 10 1 DHCF COc1ccc2[nH]c(O)c(/N=N\C(=O)Cc3cccs3)c2c1 13123041 WVSZVFXTFKGPSP-ZCXUNETKSA-N 315.354 3.797 10 1 DHCF Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1ccc2c(c1)OCO2 169325759 MOOCVPIIYVOPOM-VHEBQXMUSA-N 322.324 3.618 10 1 DHCF COc1cc(/C=C/c2nc3c(C)ccc(C)c3[nH]2)cc(O)c1O 587785158 IHJLJGGENHJRKP-VOTSOKGWSA-N 310.353 3.770 10 1 DHCF CCN1CCc2c(cc(O)c(O)c2Cl)[C@H](c2ccccc2)C1 27108297 CKKXSCMKDYHCMK-HNNXBMFYSA-N 317.816 3.761 10 1 DHCF CN1N=C(c2ccc(O)cc2O)C[C@@H]1c1ccc(Cl)cc1 96921790 HFHWYLAUMSLTRE-OAHLLOKOSA-N 302.761 3.532 10 1 DHCF CCCCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 45349361 DSPOAQONKLYCKM-UHFFFAOYSA-N 304.349 3.681 10 1 DHCF in-vivo Cc1nc(-c2cc(O)c(O)c([N+](=O)[O-])c2)c(-c2ccccc2)o1 49070468 OLMCYPHXZJNAFN-UHFFFAOYSA-N 312.281 3.636 10 1 DHCF CC(=O)N1c2ccccc2N(Cc2ccccc2O)C[C@H]1C1CC1 1857763930 WMZULNMVYKYGTR-IBGZPJMESA-N 322.408 3.544 10 1 DHCF COc1cc(N=Nc2ccc(C(=O)N(C)C)cc2)c(C)cc1N 263591600 QVGOZIMKODUACB-UHFFFAOYSA-N 312.373 3.703 10 3 DHCF C[C@H](c1cccc2ccccc12)N1Cc2ccc(O)c(O)c2C1=O 45302673 XTZMVWLJNQCKMJ-GFCCVEGCSA-N 319.360 3.968 10 1 DHCF O=[N+]([O-])c1ccc(O)c(CNc2ccc(C(F)(F)F)cc2)c1 1857545337 UGPMOUWDVIKROI-UHFFFAOYSA-N 312.247 3.931 10 1 DHCF CC(C)=CCCc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 14491137 HYYBBHOZHJSIKO-UHFFFAOYSA-N 322.360 3.772 10 1 DHCF biogenic,in-vitro CCC(=O)N[C@@H](c1cc(Cl)c2cccnc2c1O)C1CC1 36388628 UMRBXTIKWRIUQJ-CQSZACIVSA-N 304.777 3.571 10 3 DHCF Oc1ccc(CCCC[C@@H](O)CCc2ccc(O)c(O)c2)cc1 64503775 SENGGJLGUFGNIH-MRXNPFEDSA-N 316.397 3.510 10 1 DHCF biogenic,in-vitro CCC(=O)N[C@H](c1ccccc1)c1ccc2cccnc2c1O 102541 ZFUPNSFODRGWDL-QGZVFWFLSA-N 306.365 3.556 10 1 DHCF COc1ccc(C[C@@H](C)[C@@H](C)Cc2ccc(O)c(O)c2)cc1O 6487282 AQFBDCAGEIMHAX-QWHCGFSZSA-N 316.397 3.869 10 1 DHCF biogenic,in-vitro Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1N=Nc1cccnc1 299847390 HDBDVNKRGBYKDX-UHFFFAOYSA-N 313.748 3.938 10 1 DHCF O=C(C(=O)c1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(F)c1 13642867 FMFHXBPXDZLEKC-UHFFFAOYSA-N 318.172 3.587 10 1 DHCF in-vivo CCCC[C@@H]1Cc2cc(O)ccc2-c2n1c1ccc(O)cc1[n+]2C 1662026 OSVUHKUZLTZGSX-CQSZACIVSA-O 323.416 3.831 10 1 DHCF O=C1Nc2cc(-c3ccc(O)cc3)ccc2/C1=C/c1cc[nH]c1 14956264 CYPOVAOPGUUDEH-MFOYZWKCSA-N 302.333 3.880 10 1 DHCF COc1ccc(N2CCC[C@@H]2/C=C/C(=O)OC(C)(C)C)cc1 206036348 KFNHACBKXXRNOA-BRADTZPFSA-N 303.402 3.562 10 3 DHCF Cc1ccccc1OCC(=O)/N=N/c1c(O)n(C)c2ccccc12 18265211 UPNHELQLKIPDPQ-FMQUCBEESA-N 323.352 3.882 10 1 DHCF Nc1ccc(-c2nc3ccccc3n2-c2ccc(N)cc2)cc1 1911578652 XJZVQYHVUAKCDH-UHFFFAOYSA-N 300.365 3.857 10 1 DHCF O=C(OCCc1ccccc1)c1ccc2c(O)c(O)ccc2c1 1642019 OFPFJSWYCBDRHK-UHFFFAOYSA-N 308.333 3.651 10 1 DHCF CC1=NN(C(=O)/C=C/c2ccccc2)[C@H](c2ccccc2O)C1 653736059 LKLKDEHWEJOHLX-FLVLSHQESA-N 306.365 3.755 10 1 DHCF Oc1ccc([C@@H]2CCN(c3ccnc4ccccc34)C2)cc1O 169341957 DHDSHSAOFZRHRS-CQSZACIVSA-N 306.365 3.640 10 3 DHCF O=C(CCCCc1ccccc1)c1cc(O)c(O)c([N+](=O)[O-])c1 27761107 QOFPEZMTPLIVBB-UHFFFAOYSA-N 315.325 3.602 10 1 DHCF COc1cc(/C=C/c2nc3cc(C)cc(F)c3[nH]2)cc(O)c1O 587784635 BRBBAEDBPDIDCI-ONEGZZNKSA-N 314.316 3.601 10 1 DHCF CCn1c(/C=C2/C(=O)Nc3ccc(C)cc32)nc2ccccc21 1772604730 VRWAXJOCNDZVCV-SDNWHVSQSA-N 303.365 3.857 10 1 DHCF Cc1cc(-c2ccc(O)c(CNC3CCCCC3)c2)cnc1N 45167297 JBGZVCNGAFNORC-UHFFFAOYSA-N 311.429 3.767 10 1 DHCF CC[C@H](C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 45351023 OZUIWXOLMHKQDE-JTQLQIEISA-N 304.349 3.852 10 1 DHCF Cc1ccc(NCC(=O)N=Nc2c(O)n(C)c3ccccc23)cc1 253961327 SOSRITDZNRCDEF-UHFFFAOYSA-N 322.368 3.915 10 1 DHCF Oc1ccc(C=Cc2cc(O)c(O)c3c(O)cccc23)cc1O 2356356237 KXUJTXMFXWIYGH-UHFFFAOYSA-N 310.305 3.538 10 1 DHCF Cc1ccccc1[C@H]1CN(C)CCc2c1cc(O)c(O)c2Cl 89464590 SXTBQXMNBBGFOM-OAHLLOKOSA-N 317.816 3.679 10 1 DHCF Oc1ccccc1CNc1n[nH]c2ccc(Br)cc12 621430559 ZWBDWFOTPPSUGF-UHFFFAOYSA-N 318.174 3.643 10 1 DHCF CN(C)CC(C)(C)CNCc1cc(-c2ccccc2)ccc1O 12078803 SGMOJLRVKUSXSP-UHFFFAOYSA-N 312.457 3.737 10 1 DHCF Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1cccc([N+](=O)[O-])c1 169330703 QJYIAHAHHKCDRF-ISLYRVAYSA-N 323.312 3.798 10 1 DHCF COc1ccc(N2CCC[C@H]2/C=C/C(=O)OC(C)(C)C)cc1 206036375 KFNHACBKXXRNOA-TZIYXEQSSA-N 303.402 3.562 10 3 DHCF CN1CCc2cc(Cl)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 29481710 PJHOITVCPYOEFT-CYBMUJFWSA-N 301.773 3.503 10 1 DHCF [N-]=[N+]=NCCCCCCc1nc2ccc([C@@H](N)N=O)cc2[nH]1 587259589 FJXAIQJCODLOPI-AWEZNQCLSA-N 301.354 3.700 10 1 DHCF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cc(CO)ccc1O 963230739 AEJBKMRQLGXHQC-VBKZILBWSA-N 311.425 3.631 10 1 DHCF COc1cc2c(/C=C3/C(=O)Nc4ccccc43)c[nH]c2cc1C 58576482 CNRYKOGHRMEXKZ-OVCLIPMQSA-N 304.349 3.978 10 1 DHCF C[C@@]12CC[C@@H]3[C@@H](CC[C@@H]4C(=O)C(=O)CC[C@@]43C)[C@@H]1CCCC2=O 169712906 JZBWRIMACSWPDT-SOUBZWKWSA-N 316.441 3.736 10 1 DHCF Oc1ccc(C=CCC[C@@H](O)CCc2ccc(O)c(O)c2)cc1 2356692970 RECNHCLFPNYLCU-MRXNPFEDSA-N 314.381 3.591 10 1 DHCF c1ccc2[nH]c3c(/N=N/C4=NCCN4)c4ccccc4c-3nc2c1 5939841 QUUPDPCXJSZYEL-WCWDXBQESA-N 314.352 3.864 10 1 DHCF O=C(O)c1ccc2nc(/C=C/c3ccc(O)c(O)c3)ccc2c1 27524783 SGCGDTZRELNLOP-ORCRQEGFSA-N 307.305 3.515 10 1 DHCF C[C@@H]([C@@H]1CCCc2ccccc21)N1Cc2ccc(O)c(O)c2C1=O 45318982 CMQGHZCIONQBDJ-WFASDCNBSA-N 323.392 3.562 10 1 DHCF O[C@@H]1CCCc2nc(-c3ccc(N4CCCC4)cc3)sc21 53313770 NUFXTMJBLNDXDM-OAHLLOKOSA-N 300.427 3.780 10 1 DHCF COc1cc(C)c2c(c1)CN1CN2Cc2cc(OC)cc(C)c21 1618124 JLHJRMAJUMSEBE-UHFFFAOYSA-N 310.397 3.618 10 1 DHCF Cc1ccc2c(c1)N(C)/C(=C/C=C/c1oc3ccccc3[n+]1C)O2 169323873 NTLUTWFOCOYOIV-UHFFFAOYSA-N 319.384 3.949 10 1 DHCF O=C1Nc2ccccc2/C1=C/c1c[nH]c2cc([N+](=O)[O-])ccc12 28563629 KEWSPHFGYMQVFN-AUWJEWJLSA-N 305.293 3.569 10 1 DHCF O=C1c2c(ccc(O)c2O)CN1Cc1ccc(Cl)c(Cl)c1 43025194 BKVFAAGPOJCBHT-UHFFFAOYSA-N 324.163 3.561 10 1 DHCF COc1ccc2nc3ccccc3c(NC[C@H]3CCCO3)c2c1 45318910 ZUWQXXNGQCIRGT-CQSZACIVSA-N 308.381 3.988 10 1 DHCF COc1ccc(C[C@H](C)[C@@H](C)Cc2ccc(O)c(O)c2)cc1O 14760173 AQFBDCAGEIMHAX-STQMWFEESA-N 316.397 3.869 10 1 DHCF biogenic CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C2 101635134 NOYGOWYVUFENNY-RSVVIEAHSA-N 316.397 3.869 10 1 DHCF Nc1ccc(Oc2ccc3nc([C@H]4CC[C@@H](O)CC4)[nH]c3c2)cc1 586898603 JAAGMTMSNSMMGW-XBXGTLAGSA-N 323.396 3.956 10 1 DHCF COc1cc2cc(-c3ccc(O)c(O)c3)nc(C)c2cc1OC 45287552 RRKNZHFUXIBZLE-UHFFFAOYSA-N 311.337 3.639 10 1 DHCF COc1ccc(-c2cnnc(/N=N/Cc3ccc(O)cc3)n2)cc1 59789664 RRCNLQSHEMFUQC-DYTRJAOYSA-N 321.340 3.537 10 1 DHCF O=c1c2ccc(O)cc2oc2cccc(-c3ccc(O)c(O)c3)c12 653719625 SXFVOTBBPHMRLG-UHFFFAOYSA-N 320.300 3.730 10 1 DHCF CCCN1Cc2c(C)ccc3c2[C@@H](C1)c1ccc(O)c(O)c1C3 13478213 WBHGBBBSTOWRHE-KRWDZBQOSA-N 309.409 3.668 10 1 DHCF COc1ccc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 13814428 DEDWJTYEDQCEEJ-WIYYLYMNSA-N 322.452 3.621 10 1 DHCF O=C(COC(=O)C1CC1)Nc1ccc(/N=N\c2ccccc2)cc1 102451811 UEGFVGOEWBSEFF-MRCUWXFGSA-N 323.352 3.994 10 1 DHCF CC(C)(C)c1cc(C(=O)N=Nc2c(O)[nH]c3ccccc23)[nH]n1 617960091 XEHDVTYFHBDSRH-UHFFFAOYSA-N 311.345 3.818 10 1 DHCF CC(C)(C)CC(=O)Nc1cccc(C(=O)C(=O)c2ccccn2)c1 66259897 AXGAEKSDZGRRBZ-UHFFFAOYSA-N 324.380 3.522 10 1 DHCF CCOC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@@H]21 59888940 PUEWEHOAOWONJT-COPLHBTASA-N 311.303 3.722 10 3 DHCF CCN(CC)c1ccc(/N=N\c2nn(C)c(C)c2[N+](=O)[O-])cc1 18158023 CBTVICGCXKAORE-MSUUIHNZSA-N 316.365 3.898 10 1 DHCF COc1ccc(N2CCN(Sc3ccccc3)CC2)cc1 27734786 HFRRJCSDYFMTTP-UHFFFAOYSA-N 300.427 3.525 10 1 DHCF [N-]=[N+]=NCCCCCCc1nc2cc3c(cc2[nH]1)OCCO3 587259145 APFURBNBWDRCFM-UHFFFAOYSA-N 301.350 3.747 10 1 DHCF Cc1ccccc1Nc1nc2c(s1)C(=O)c1ccccc1C2=O 1617389 ZLWPEZFJCGSXES-UHFFFAOYSA-N 320.373 3.971 10 1 DHCF CCCSc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 103264499 LEYZKIDOGLXHAF-UHFFFAOYSA-N 322.389 3.840 10 1 DHCF CCOC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@H]21 15952397 PUEWEHOAOWONJT-MISXGVKJSA-N 311.303 3.722 10 3 DHCF CCCC=C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 27648642 LFSPRCNNTHTFOX-UHFFFAOYSA-N 306.365 3.708 10 1 DHCF CC(C)[C@](C)(O)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586891519 UAOPIINGAUBUCC-SFHVURJKSA-N 311.385 3.801 10 1 DHCF COc1ccc(C[C@H](C)[C@H](C)Cc2ccc(O)c(O)c2)cc1O 14760177 AQFBDCAGEIMHAX-OLZOCXBDSA-N 316.397 3.869 10 1 DHCF biogenic Cc1c(N=Nc2ccc(O)cc2)c(=O)n(-c2ccccc2)n1C 299813196 DCCUAOUTZOLKIT-UHFFFAOYSA-N 308.341 3.605 10 1 DHCF CC(=O)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccccc1Cl 13560417 KDUPADFOIVGVKY-QGZVFWFLSA-N 314.772 3.743 10 1 DHCF CCCc1cc2c(s1)CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 19656 REHAKLRYABHSQJ-KDOFPFPSSA-N 315.438 3.662 10 1 DHCF CC(C)(C)c1cc(C(=O)/N=N/c2c(O)[nH]c3ccccc23)[nH]n1 5093099 XEHDVTYFHBDSRH-QZQOTICOSA-N 311.345 3.818 10 1 DHCF O=C(O)c1cccc2c(-c3ccccn3)c(-c3cccnc3)[nH]c12 587639454 WOVWNRASAGLLDV-UHFFFAOYSA-N 315.332 3.990 10 1 DHCF COc1cccc2c1N[C@H](C(=O)Nc1ccccc1)[C@@H]1CC=C[C@H]21 1911577999 SDPYPHRUFXBJFY-OGWOLHLISA-N 320.392 3.788 10 1 DHCF Oc1ccc(/C=C/c2cc(/C=C/c3ccccc3O)[nH]n2)cc1O 299821213 BUFQNHMGPKINGF-OCIXRKKMSA-N 320.348 3.867 10 1 DHCF COc1cc(O)c([C@@H]2NCCc3cc(Cl)ccc32)cc1Cl 963390595 LDPJVOLJVACNEQ-MRXNPFEDSA-N 324.207 3.943 10 1 DHCF CCn1c(O)c(/N=N/C(=O)[C@@H](O)c2ccccc2)c2ccccc21 101925744 QPCFRTHWZMCHNJ-QBNCKDSPSA-N 323.352 3.711 10 1 DHCF O=c1c(O)c(-c2ccc(O)c(O)c2)oc2ccc3ccccc3c12 73199232 HZALMTCPZUUANX-UHFFFAOYSA-N 320.300 3.730 10 1 DHCF CC1(C)[C@@H]2CC[C@]1(C)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C2 101494297 NOYGOWYVUFENNY-JAJCIGHNSA-N 316.397 3.869 10 1 DHCF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccccc1 3814551 VKXXAEDUKIIITF-UHFFFAOYSA-N 311.406 3.856 10 1 DHCF CCCN1CCc2cc(C)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 43014509 IQXHLUBOFQZZLM-MRXNPFEDSA-N 309.409 3.939 10 1 DHCF in-vivo C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)C(=O)CC[C@@]43C)[C@@H]1CCCC2=O 169712909 JZBWRIMACSWPDT-ZDUVPWEXSA-N 316.441 3.736 10 1 DHCF Oc1ccccc1CNc1ncccc1-c1ccc2nonc2c1 621430370 RJUCWBCPSQYTBH-UHFFFAOYSA-N 318.336 3.603 10 1 DHCF CCCSC(=S)c1c(C)nn(-c2ccc(OC)cc2)c1O 1857653012 SIVOHXDUOOJVGC-UHFFFAOYSA-N 322.455 3.714 10 1 DHCF CN(C)c1ccc(/C=C/C=C/C=C/C(=O)N2CCCCC2)cc1 1772581137 KSCFVSCDAMLGMI-VXDDTBQRSA-N 310.441 3.891 10 1 DHCF C[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)/N=N/N(C)C 64417197 TZTDRSHGCUYEFB-PIFPLSHESA-N 319.408 3.985 10 1 DHCF Cn1c(CO)ccc1-c1nn(Cc2ccccc2)c2ccccc12 38355893 GQXFDHVXUNRBTF-UHFFFAOYSA-N 317.392 3.582 10 1 DHCF CC(C)=CCc1cc(CCc2cc(O)cc(O)c2)cc(O)c1O 15115156 OLUUBKULUYLOQV-UHFFFAOYSA-N 314.381 3.803 10 1 DHCF biogenic,in-vitro Nc1ccc(Nc2ncnc3c2sc2ccc(N)cc23)cc1 64532173 XVZJZCMOBXPVKG-UHFFFAOYSA-N 307.382 3.753 10 1 DHCF CN(CCO)c1ccc(-c2nc3c4c(ccc3[nH]2)CCCC4)cc1 587192813 FAMUJFMABNGPOY-UHFFFAOYSA-N 321.424 3.537 10 1 DHCF CCc1c(-c2cc(O)c(O)cc2O)nc2cccc3c2c1CC3 587215334 FYHCHYUWKDSYTI-UHFFFAOYSA-N 307.349 3.680 10 1 DHCF COc1cccc2c1N[C@H](C(=O)Nc1ccccc1)[C@H]1CC=C[C@@H]21 1911578000 SDPYPHRUFXBJFY-QOKNQOGYSA-N 320.392 3.788 10 1 DHCF Oc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)N(CC1CC1)CC3 2000209 OXQZCFBTWSWVNN-MRXNPFEDSA-N 307.393 3.630 10 1 DHCF CCC(=O)N[C@H](c1cccs1)c1ccc2cccnc2c1O 319140 LKWVVCSJBMZGAM-INIZCTEOSA-N 312.394 3.618 10 3 DHCF COc1cc(/C=C/c2nc3ccc(F)c(C)c3[nH]2)cc(O)c1O 587784554 ACMZHIYXIICCAV-ZZXKWVIFSA-N 314.316 3.601 10 1 DHCF COc1cccc2c1N[C@H](C(=O)Nc1ccccc1)[C@H]1CC=C[C@H]21 1911577997 SDPYPHRUFXBJFY-ALKREAHSSA-N 320.392 3.788 10 1 DHCF O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccc(Cl)cc1 1772578230 RAJKQHZYWGTAEW-XBXARRHUSA-N 318.756 3.550 10 1 DHCF Oc1cc(O)c2c(=S)cc(-c3ccc(O)c(O)c3)oc2c1 1772654470 JWOUBTGIVZRYHF-UHFFFAOYSA-N 302.307 3.652 10 1 DHCF COc1cc2c(c(O)c1C/C=C(\C)CCC=C(C)C)CNC2=O 200556267 AXUYTAQZPXNVBF-MDWZMJQESA-N 315.413 3.879 10 1 DHCF Oc1cc(-c2cc3ccccc3o2)c(Br)c(O)c1O 299871800 ZISAFDWHTODXQO-UHFFFAOYSA-N 321.126 3.979 10 1 DHCF Nc1c(C(=O)O)sc2nc3c(cc12)C[C@@H](c1ccccc1)CC3 33766493 WNYMCFNFMXXNKL-NSHDSACASA-N 324.405 3.849 10 1 DHCF O=[S@](/C=C/c1ccc(O)c(O)c1)Cc1ccc(Cl)cc1 169337042 MCURAGAWMOVGIJ-AQKVLALTSA-N 308.786 3.671 10 1 DHCF COc1cc(/C=C/c2nc3cc(C)c(C)cc3[nH]2)cc(O)c1O 587785458 MDQQQSSFUXZUGV-SNAWJCMRSA-N 310.353 3.770 10 1 DHCF Cc1cc(O)c(C2=NN[C@H](c3cccc(O)c3)C2)c(C)c1Cl 299867467 YBOFMOGGNYQEEI-ZDUSSCGKSA-N 316.788 3.807 10 1 DHCF CCCC[N+]1(CCCC)CCN(c2ccc(OC)cc2)CC1 66075638 RVQAEMQQGMTGDA-UHFFFAOYSA-N 305.486 3.932 10 1 DHCF CCCc1ccc(Oc2cc(C(=O)OC)cc(O)c2O)cc1 141282529 OVPIFUFRIAOKTC-UHFFFAOYSA-N 302.326 3.629 10 1 DHCF in-vivo COc1ccc(C2=N[C@H](C(C)C)N[C@@H](c3ccccc3O)C2)cc1 4729359 WYKAPJFLVOOMKV-QUCCMNQESA-N 324.424 3.907 10 1 DHCF CC1=NN(C(=O)CCc2ccccc2)[C@@H](c2ccccc2O)C1 653718472 BXHCTKZTCQMHEO-QGZVFWFLSA-N 308.381 3.674 10 1 DHCF COc1cc(/C=C\c2ccc(N(C)C)cc2)cc(OC)c1OC 13823935 PHDDAWSHQWUPPP-SREVYHEPSA-N 313.397 3.949 10 1 DHCF Cc1ccc([C@@H]2CN(C)CCc3c2cc(O)c(O)c3Cl)cc1 89464567 WGXCRBHBCVCFFQ-HNNXBMFYSA-N 317.816 3.679 10 1 DHCF COC(=O)c1ccc2nc(CCCCCCN=[N+]=[N-])[nH]c2c1 587259937 JEUKKCLTEFRRMY-UHFFFAOYSA-N 301.350 3.763 10 1 DHCF O=C(OC1CCCCC1)c1cc2c(o1)C(=O)c1ccccc1C2=O 95556878 SLRAIJKPIHVQCU-UHFFFAOYSA-N 324.332 3.545 10 1 DHCF Oc1cc(Br)c(-c2cc3cccc(O)c3o2)cc1O 299871248 YENJBWYFWGKWAF-UHFFFAOYSA-N 321.126 3.979 10 1 DHCF CCCSC(=S)c1c(C)nn(-c2ccc(F)cc2)c1O 1857655727 WYKGQPMHTOWAKS-UHFFFAOYSA-N 310.419 3.844 10 1 DHCF CC(=O)N1N[C@@H](c2ccccc2O)C[C@@H]1c1ccc(Cl)cc1 28133193 XGJAVTCLHBKTNX-HZPDHXFCSA-N 316.788 3.585 10 1 DHCF O[C@H]1CCCc2nc(-c3ccc(N4CCCC4)cc3)sc21 53313772 NUFXTMJBLNDXDM-HNNXBMFYSA-N 300.427 3.780 10 1 DHCF O=[N+]([O-])c1c(Oc2cc(F)cc(Cl)c2)ccc2nonc12 95597458 PBQPESZUWLTKMI-UHFFFAOYSA-N 309.640 3.716 10 1 DHCF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cc(CO)ccc1O 963230742 AEJBKMRQLGXHQC-XOBRGWDASA-N 311.425 3.631 10 1 DHCF O=C1c2ccccc2C(=O)c2[nH]c(-c3ccccc3Cl)nc21 1857766192 NOSBUVNHSVAZAW-UHFFFAOYSA-N 308.724 3.506 10 1 DHCF O=c1cc(/C=C/C=C/c2ccc(O)c(O)c2)oc2cc(O)ccc12 653725333 AZVILMNOEOBUOW-ZPUQHVIOSA-N 322.316 3.636 10 1 DHCF Cc1cc2c(nn1)-c1cc(OCCCC(F)(F)F)ccc1C2=O 13479537 NWMJGRUHWFROPM-UHFFFAOYSA-N 322.286 3.718 10 1 DHCF C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)/N=N/N(C)C 58638441 TZTDRSHGCUYEFB-IZCGWQCVSA-N 319.408 3.985 10 1 DHCF CC(C)C[C@]1(CCO)C[C@H](CN=[N+]=[N-])ON1Cc1ccccc1 49089166 IOUZAKOZNDIRHM-IAGOWNOFSA-N 318.421 3.670 10 1 DHCF COc1c(C)c(C)c(CN=O)c(O)c1C/C=C(\C)CCC(=O)O 169714853 XKRYHEFOMGCUBU-BJMVGYQFSA-N 321.373 3.638 10 1 DHCF Nc1ccc(Oc2ccc3[nH]c(/C=C/C=C/C(=O)O)nc3c2)cc1 587969109 QBJZLOBBNDKPLW-ZPUQHVIOSA-N 321.336 3.591 10 1 DHCF Cc1c(F)ccc2c1[C@](C)(c1c(O)cccc1Cl)NCC2 962373975 KTYJCGNNZQINLK-QGZVFWFLSA-N 305.780 3.902 10 1 DHCF Cc1ccc(/N=N/c2c(N)nn3c(O)c4c(nc23)CCCC4)cc1 102745829 IGRBISRMLBUORW-QZQOTICOSA-N 322.372 3.620 10 1 DHCF COc1ccc(-c2nc(CN(C)c3ccc(OC)cc3)co2)cc1 72185372 HLEVAVDDABVCEM-UHFFFAOYSA-N 324.380 3.995 10 1 DHCF CCc1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@H]2OC3=O 2356506578 MMFRMKXYTWBMOM-QHRIQVFBSA-N 316.397 3.726 10 1 DHCF O=C(O)c1ccc(/N=N/C=C/Cc2ccc([N+](=O)[O-])o2)cc1 169691742 CSWJYIZLDMPEJM-NACKWSSRSA-N 301.258 3.726 10 1 DHCF O=C1c2ccccc2C(=O)c2c(-c3ccc4[nH]ccc4c3)noc21 84704651 OHBFYDVQBXWGNH-UHFFFAOYSA-N 314.300 3.598 10 1 DHCF COc1cc(/N=N/c2ccccc2C(=O)O)cc(OC)c1O 38311600 OUUSCQGLQHBVJX-WUKNDPDISA-N 302.286 3.523 10 1 DHCF in-vivo O=C(C(=O)c1c(F)ccc(F)c1F)c1cc(F)cc(F)c1F 28713888 NHBDBTHCQQXYBY-UHFFFAOYSA-N 318.172 3.587 10 1 DHCF in-vivo Cc1oc(C(=O)O)cc1COc1ccc(-c2cccnc2)cc1 169343491 WDOWVAIBEKIXMS-UHFFFAOYSA-N 309.321 3.927 10 1 DHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(C=C3CCC3)[nH]c21 587965781 XMRGLJULUICMMH-UHFFFAOYSA-N 314.344 3.906 10 1 DHCF COc1cc2c(cc1C)NC(=O)/C2=C/c1c[nH]c2ccccc12 58563891 DJZCQLOTDSVFMB-OVCLIPMQSA-N 304.349 3.978 10 1 DHCF CCC(=O)N[C@@H](c1cccs1)c1ccc2cccnc2c1O 319145 LKWVVCSJBMZGAM-MRXNPFEDSA-N 312.394 3.618 10 3 DHCF Oc1cc2c(c(Cl)c1O)CCNC[C@@H]2c1cccc(Cl)c1 27182395 OQZFIWXXTFHXFY-CYBMUJFWSA-N 324.207 3.682 10 1 DHCF N=C(N)c1ccc(/N=N/c2c(O)ccc3cc(O)ccc23)cc1 5518720 DZPCPDXVMGRYJN-QZQOTICOSA-N 306.325 3.950 10 1 DHCF Cc1ccc(C)n1-c1cc2cnccc2c(Br)n1 587939375 CLJPGVDBZBDDPM-UHFFFAOYSA-N 302.175 3.800 10 1 DHCF CC[C@]1(C)CC[C@@]2(C)[C@@H]3C(=O)CC[C@@]3(CC[C@H]2C)C(=O)C1=O 26401743 KRSHXAGBHPBWJV-JEKTVJEGSA-N 304.430 3.736 10 1 DHCF CCCN(CCCc1ccccc1)CCc1ccc(O)c(O)c1 169323514 AOIBHFJFRMXAEH-UHFFFAOYSA-N 313.441 3.985 10 1 DHCF CCOC(=O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 15952395 PUEWEHOAOWONJT-JTNHKYCSSA-N 311.303 3.722 10 3 DHCF CCCCCc1ccc2c(c1O)C(=O)c1c(O)cccc1C2=O 13454745 SPWVECRQDUMETQ-UHFFFAOYSA-N 310.349 3.606 10 1 DHCF CCOC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@@H]12 15952396 PUEWEHOAOWONJT-GYSYKLTISA-N 311.303 3.722 10 1 DHCF CN(C)c1ccc(-c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)N4)cc1 29310916 GFGLRLPLKUMFAB-UHFFFAOYSA-N 320.396 3.526 10 1 DHCF C[C@@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)C(=O)CC[C@@]43C)[C@@H]1CCCC2=O 169712908 JZBWRIMACSWPDT-BISJRSAGSA-N 316.441 3.736 10 1 DHCF Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1cccc(C(=O)O)c1 261192678 ZSFHBUZPDGQFJX-UHFFFAOYSA-N 322.324 3.588 10 1 DHCF CCC(=O)N[C@H](c1cc(Cl)c2cccnc2c1O)C1CC1 36380891 UMRBXTIKWRIUQJ-AWEZNQCLSA-N 304.777 3.571 10 3 DHCF Cc1ccnc2c1CCN[C@@H]2c1ccc(N2CCC(C)CC2)cc1 963091213 UFVJCDBRPVWJPF-HXUWFJFHSA-N 321.468 3.861 10 1 DHCF COc1ccc(/N=N/c2cc(OC)c(OC)c(OC)c2)cc1O 1857636437 AIRZFEKQGRSBNX-ISLYRVAYSA-N 318.329 3.842 10 1 DHCF O=[N+]([O-])c1ccc(O)c(CNc2ccccc2C(F)(F)F)c1 1857611604 DODFTCGODCXCRI-UHFFFAOYSA-N 312.247 3.931 10 1 DHCF CCCCN(C)Cc1cc(-c2cccc(OC)n2)ccc1O 14982657 BGARDPDMMATAOM-UHFFFAOYSA-N 300.402 3.695 10 1 DHCF CCOC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@H]12 59888935 PUEWEHOAOWONJT-MJVIPROJSA-N 311.303 3.722 10 1 DHCF CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C2 107924473 NOYGOWYVUFENNY-KTNDXEENSA-N 316.397 3.869 10 1 DHCF COc1cc(/C=C/c2nc3ccc(Cl)cc3[nH]2)cc(O)c1O 587785626 OHHHKKRGVWORLH-GORDUTHDSA-N 316.744 3.807 10 1 DHCF Cc1cc2c(/N=N/C(=N)S)c(O)[nH]c2cc1Br 103960691 FXHMJYFZGUNVJC-CCEZHUSRSA-N 313.180 3.893 10 1 DHCF O=C(CCCCc1ccc(O)c(O)c1)CCc1ccc(O)cc1 238784741 XAUMQAAPZJIOPX-UHFFFAOYSA-N 314.381 3.718 10 1 DHCF C[C@@H](Cc1ccc2c(c1)OCO2)[C@H](C)Cc1ccc(O)c(O)c1 2356614329 QCBADAYUZALFHP-OLZOCXBDSA-N 314.381 3.884 10 1 DHCF COc1ccc(/N=N/c2c(-c3ccc(OC)cc3)[nH][nH]c2=O)cc1 169723221 GGSZSNYQEPCTPP-CZIZESTLSA-N 324.340 3.803 10 1 DHCF C[C@@H]1Cc2cc(O)c(O)cc2-c2cc(O)c(O)cc2C[C@H]1C 1643188 QAIDKUGAYKKTCT-NXEZZACHSA-N 300.354 3.547 10 1 DHCF biogenic COc1cccc(C2=N[C@@H](C(C)C)N[C@@H](c3ccccc3O)C2)c1 4729683 FTHZZMSVKMCFGJ-UYAOXDASSA-N 324.424 3.907 10 1 DHCF COc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2cccc(OC)c2)cc1 169723237 AXEQDNRVEUBEKN-CZIZESTLSA-N 324.340 3.803 10 1 DHCF CN(C)c1ccc(/C=C/C=C2\CCN=C2c2cccnc2)cc1 103186225 NIUISXMKWGHQOB-NWMDFGRSSA-N 303.409 3.980 10 1 DHCF COc1ccc(C/N=N/c2nncc3ccccc23)c(OC)c1 169691649 GQOYYTMYDZHQBS-XUTLUUPISA-N 308.341 3.931 10 1 DHCF COc1cc(/C=C/c2nc3cc(C)c(F)cc3[nH]2)cc(O)c1O 587785924 PTQSDMMSSUKXCO-ONEGZZNKSA-N 314.316 3.601 10 1 DHCF Oc1ccccc1CNc1ncccc1-c1ccc2nc[nH]c2c1 621430509 XQMAQFWTQQBBEE-UHFFFAOYSA-N 316.364 3.943 10 1 DHCF COc1ccc(/N=N\[C@@H]2C(=O)N(c3ccccc3)N=C2C)cc1 12413006 VMIFGCLMTUIMRX-NXDJFEHLSA-N 308.341 3.570 10 1 DHCF Cc1cc(C)c2c3c1[C@H]1C=CC[C@@H]1[C@@H](C(=O)O)N3C[C@@H]1CC=C[C@H]21 4132330 JAJKMVIDKDCQDH-GMHRPJKWSA-N 321.420 3.910 10 1 DHCF Cc1ccc(NCC(=O)/N=N/c2c(O)n(C)c3ccccc23)cc1 102429322 SOSRITDZNRCDEF-QZQOTICOSA-N 322.368 3.915 10 1 DHCF CCn1c(O)c(N=NC(=O)[C@@H](O)c2ccccc2)c2ccccc21 253993226 QPCFRTHWZMCHNJ-INIZCTEOSA-N 323.352 3.711 10 1 DHCF Fc1cccc(OCCCn2c3c(c4ccccc42)CCNC3)c1 1857580356 RBQBLEAWRGTDFW-UHFFFAOYSA-N 324.399 3.895 10 1 DHCF COc1ccc(CSc2cc(Cl)c(N)c3nonc23)cc1 1857593468 WOYWUMUEDQTGHB-UHFFFAOYSA-N 321.789 3.759 10 1 DHCF COc1ccc(N(CC[C@H]2CCCCN2C)C(C)C)cc1OC 473123873 VUXBEOJEZYNHQZ-MRXNPFEDSA-N 320.477 3.793 10 1 DHCF O=c1ccc2ccc3c4cc(O)c(O)cc4oc4c(O)cc1c2c43 15266307 BYHDKLSOSWINLG-UHFFFAOYSA-N 318.284 3.807 10 1 DHCF biogenic CN(CCO)c1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1 587193258 WNIKQRKVQANXCG-UHFFFAOYSA-N 317.392 3.812 10 1 DHCF Cc1ccc2[nH]c(O)c(/N=N/C(=N)S)c2c1Br 103960669 YHSREZLVKHKMSO-CCEZHUSRSA-N 313.180 3.893 10 1 DHCF O=C(O)[C@H]1Nc2c(C(F)(F)F)ccc(Cl)c2[C@@H]2C=CC[C@@H]12 13140584 ANQJNJFYWVQYNR-AMXGMDGSSA-N 317.694 3.897 10 1 DHCF CC1(C)C(=O)C(=O)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@](C)(C1)C(=O)C[C@@H]32 104366605 KYOFWFWEZCLKDW-RJBJQPCJSA-N 314.425 3.512 10 1 DHCF in-man C[C@H]1[C@H](c2ccc(O)c(O)c2)O[C@@H](c2ccc(O)c(O)c2)[C@@H]1C 238788282 UOYOHSSZOSFAOQ-UBVDWCKXSA-N 316.353 3.594 10 1 DHCF COc1ccc(/N=N\c2cc(OC)c(OC)c(OC)c2)cc1O 1857631236 AIRZFEKQGRSBNX-ZCXUNETKSA-N 318.329 3.842 10 1 DHCF Cc1cc(C)n2cc(/C=C/c3nc(-c4ccoc4)cn3C)nc2n1 117849231 RLSQUACJBCMZAE-SNAWJCMRSA-N 319.368 3.510 10 1 DHCF Cc1ccc(NCC(=O)/N=N\c2c(O)n(C)c3ccccc23)cc1 102429317 SOSRITDZNRCDEF-MRCUWXFGSA-N 322.368 3.915 10 1 DHCF O=C(N=Nc1c(O)[nH]c2ccccc12)c1ccc2c(c1)OCO2 253981676 LNHIHSORYNAWNR-UHFFFAOYSA-N 309.281 3.526 10 1 DHCF COc1cc(/C=C/c2ccc(N(C)C)cc2)cc(OC)c1OC 13823939 PHDDAWSHQWUPPP-VOTSOKGWSA-N 313.397 3.949 10 1 DHCF CN(C)c1cc(/N=N/Cc2ccc(Cl)cc2)nc(N(C)C)n1 169686963 LVYCSJYADFYICP-LVZFUZTISA-N 318.812 3.546 10 1 DHCF Cc1nc(O)c(/N=N/c2ccccc2C(=O)O)n1-c1ccccc1 169689889 KIPNVJWIJYGDSD-FMQUCBEESA-N 322.324 4.000 10 1 DHCF COc1c(O)c(O)c(O)c(-c2ccc(O)cc2)c1CC=C(C)C 14648147 TYQDIMAUEKKDNH-UHFFFAOYSA-N 316.353 3.693 10 1 DHCF biogenic,in-vitro Cc1ccc(O)c(C2=NN(C(=S)Cc3ccccc3)CC2)c1 27899684 NQFSEEIIJHPDMQ-UHFFFAOYSA-N 310.422 3.681 10 1 DHCF CN(C)C(=O)c1ccc2nc(CCCCCCN=[N+]=[N-])[nH]c2c1 587259288 BUQRUQFZQPOANY-UHFFFAOYSA-N 314.393 3.678 10 1 DHCF O=S(=O)(c1ccc(/N=N/O)nc1)c1ccc2ccccc2c1 6229423 PMXXZYWRDRBKCQ-UHFFFAOYSA-N 313.338 3.541 10 1 DHCF CCn1c(O)c(/N=N\C(=O)[C@@H](O)c2ccccc2)c2ccccc21 102684416 QPCFRTHWZMCHNJ-JVMRMLDLSA-N 323.352 3.711 10 1 DHCF Cc1c(/N=N\c2ccc(O)cc2)c(=O)n(-c2ccccc2)n1C 6383608 DCCUAOUTZOLKIT-HNENSFHCSA-N 308.341 3.605 10 1 DHCF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=N)C(=O)CC[C@]34C)[C@@H]1CCC2=O 169684353 VPEMVIXWAGVSOI-LZBOESDWSA-N 301.430 3.797 10 1 DHCF O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1ccc(Cl)cc1 84738654 SKDZDWQIIWQUEP-UHFFFAOYSA-N 303.701 3.598 10 1 DHCF Nc1ccc(-c2ccc3c(c2)NC(=O)/C3=C\c2cc[nH]c2)cc1 14956269 YHADXIQLZZVQEE-MFOYZWKCSA-N 301.349 3.757 10 1 DHCF COc1cccc2c1c(Cl)c1c3c(cc(O)c(O)c32)C(=O)N1 45368397 QAOHRJLCWLORBL-UHFFFAOYSA-N 315.712 3.632 10 1 DHCF O=c1c(-c2cccc(C(F)(F)F)c2)coc2c(O)c(O)ccc12 28875628 VKTSPNMYQKLXBD-UHFFFAOYSA-N 322.238 3.890 10 1 DHCF Oc1ccc(-c2nnc(-c3ccc4[nH]ccc4c3)s2)cc1O 1911585936 CTVULZKIMQYSME-UHFFFAOYSA-N 309.350 3.765 10 1 DHCF Cc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccccc34)[C@H]1N2C 95555300 MZWABRRIUFTTQU-IBGZPJMESA-N 317.392 3.623 10 1 DHCF N=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc(N)cc1 1772574171 MCWWYROBIGSRKH-UHFFFAOYSA-N 312.376 3.754 10 1 DHCF Oc1ccc(/C=C/c2cc(O)c(O)c3c(O)cccc23)cc1O 85569233 KXUJTXMFXWIYGH-GQCTYLIASA-N 310.305 3.538 10 1 DHCF biogenic,in-vitro Cc1ccccc1OCC(=O)N=Nc1c(O)n(C)c2ccccc12 253947750 UPNHELQLKIPDPQ-UHFFFAOYSA-N 323.352 3.882 10 1 DHCF Cc1cc(C)n2nc(N)c(/N=N\c3ccc(Cl)cc3)c2n1 13118218 AFJLACUIYWFSSW-HNENSFHCSA-N 300.753 3.997 10 1 DHCF CC1(C)C(=O)C(=O)C[C@]2(C)[C@H]1CC[C@@]13C=C[C@](C)(C1)C(=O)C[C@@H]32 104366601 KYOFWFWEZCLKDW-WHHUABKHSA-N 314.425 3.512 10 1 DHCF in-man COC(=O)/C=C/c1ccc(NCc2cc(Cl)ccc2O)cc1 653894883 YGKCZGNIQZQRCN-RUDMXATFSA-N 317.772 3.844 10 1 DHCF Cc1cc(C(F)(F)F)n2[nH]c(=O)c(/N=N/c3ccccc3)c2n1 15962423 MSDKABSMDASZQT-FMQUCBEESA-N 321.262 3.765 10 1 DHCF CC(=O)N1N=C(c2ccc(O)cc2)C[C@@H]1c1cccc(Cl)c1 13560419 NFNIZHGTFPKXQX-QGZVFWFLSA-N 314.772 3.743 10 1 DHCF CC1(C)C(=O)C(=O)C[C@]2(C)[C@H]1CC[C@]13C=C[C@](C)(C1)C(=O)C[C@H]23 104366594 KYOFWFWEZCLKDW-LZOZONPPSA-N 314.425 3.512 10 1 DHCF in-man CCCc1cc2c(s1)[C@H]1c3cc(O)c(O)cc3CC[C@@H]1NC2 13762006 PAUUVJVIWWLQGB-YOEHRIQHSA-N 315.438 3.662 10 1 DHCF O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2c1ccc1c2CCCC1 587529388 BCWIRNKTJQSDOW-SFHVURJKSA-N 310.349 3.683 10 1 DHCF O=C1c2ccccc2C(=O)c2c(NC3CC3)ccc(NC3CC3)c21 26468860 AOILTZFOSVYWPF-UHFFFAOYSA-N 318.376 3.611 10 1 DHCF COc1cc(/C=C\c2nc3cccc(Cl)c3[nH]2)cc(O)c1O 587785290 KQCJXXFVAPBUOT-WAYWQWQTSA-N 316.744 3.807 10 1 DHCF O=C(O)c1[nH]c2cc(O)c(O)cc2c1-c1cccc(Cl)c1 84732595 KRXIDEWTHYLAES-UHFFFAOYSA-N 303.701 3.598 10 1 DHCF O=C(OCCc1ccccc1)c1ccc2cc(O)c(O)cc2c1 1642256 MOGIFRACYVVYAG-UHFFFAOYSA-N 308.333 3.651 10 1 DHCF COc1cccc2c(NC[C@@H]3CCCO3)c3ccccc3nc12 45260737 XEKUGLCGONWFBJ-ZDUSSCGKSA-N 308.381 3.988 10 1 DHCF Cn1nc(-c2ccc(Cl)cc2)s/c1=N\c1ccccc1O 28374441 HZCCNMVBAFUWEF-ICFOKQHNSA-N 317.801 3.740 10 1 DHCF CCCN1[C@H](c2cc(CO)ccc2O)c2ccccc2C[C@H]1C 963230740 AEJBKMRQLGXHQC-VLIAUNLRSA-N 311.425 3.631 10 1 DHCF Cc1cccc2c1N(C)[C@H]1c3[nH]c4ccccc4c3CCN1C2=O 95552968 QMQQAASOQCCEOB-LJQANCHMSA-N 317.392 3.623 10 1 DHCF C/C(=C\c1ccc(O)c(O)c1)C(=O)OC/C=C/c1ccccc1 103245082 RELYZENLCUKPCR-LNNJPWRLSA-N 310.349 3.758 10 1 DHCF O=C(Cc1ccc(Cl)c(Cl)c1)c1ccc(O)c(O)c1O 1857773336 WENRLGCJQNYXDC-UHFFFAOYSA-N 313.136 3.536 10 1 DHCF CC=C1CN2[C@H]3C[C@H]1[C@@H]1CO[C@@H](c4c3n(C)c3ccccc43)[C@@H]12 2356537273 NDUXTABOXUQPOS-BPUCUNMVSA-N 306.409 3.571 10 1 DHCF CC(C)c1ccccc1Cn1cc(-c2ccc(O)c(O)c2)nn1 473132438 SKYSQEFGXHEYQP-UHFFFAOYSA-N 309.369 3.528 10 1 DHCF C[C@H]1Cc2cc(O)c(O)cc2-c2cc(O)c(O)cc2C[C@H]1C 17253923 QAIDKUGAYKKTCT-AOOOYVTPSA-N 300.354 3.547 10 1 DHCF biogenic CCc1ccc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2c1 587786273 SFIQYQCUQLBBHC-FNORWQNLSA-N 310.353 3.716 10 1 DHCF O=C(NCc1c(O)c(Cl)cc(Cl)c1Cl)C(F)(F)F 27864554 YWGCHUGNQRPXQE-UHFFFAOYSA-N 322.497 3.531 10 1 DHCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cncnc3[nH]1)N2 587079173 APVLXWLUNSVUPI-RWSFTLGLSA-N 323.787 3.833 10 1 DHCF COc1ccc(CNCC23CC4CC(CC(C4)C2)C3)c(O)c1 299866599 PCROGDMEVMQFAT-UHFFFAOYSA-N 301.430 3.707 10 1 DHCF CCCc1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 1539970 REHAKLRYABHSQJ-KBXCAEBGSA-N 315.438 3.662 10 1 DHCF CN(C)c1ccc([C@@H]2COC(c3c(F)cccc3F)=N2)cc1 98082150 DPGXDGSUWNJVNX-HNNXBMFYSA-N 302.324 3.549 10 1 DHCF C[C@@H]1[C@@H](c2ccc(O)c(O)c2)O[C@@H](c2ccc(O)c(O)c2)[C@H]1C 35465232 UOYOHSSZOSFAOQ-LXQUVBGXSA-N 316.353 3.594 10 1 DHCF CN(CCO)c1ccc(-c2nc3c(C(C)(C)C)cccc3[nH]2)cc1 587193129 TZUODPLFARQYQP-UHFFFAOYSA-N 323.440 3.956 10 1 DHCF CN(C)c1ccc(-c2nc(C(=O)c3ccc(F)cc3)c[nH]2)cc1 64526951 SSFFVCWGAKLDOB-UHFFFAOYSA-N 309.344 3.513 10 1 DHCF COC(=O)c1cccc2nc(CCCCCCN=[N+]=[N-])[nH]c12 587259984 LIRRHDXDKNKNCZ-UHFFFAOYSA-N 301.350 3.763 10 1 DHCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3ncc[nH]c-3n1)N2 587079625 FDEMLKOZPWCZLF-WDMOLILDSA-N 323.787 3.784 10 1 DHCF CCCCCC(=O)/N=N\c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 102465373 JWHRRKNXOIGTOI-MSUUIHNZSA-N 304.306 3.972 10 1 DHCF Fc1cccc(NCCCn2c3c(c4ccccc42)CCNC3)c1 1857573949 WIOXQMYIDIIYOF-UHFFFAOYSA-N 323.415 3.928 10 1 DHCF O=C1CC(=O)N(c2cccc(Cl)c2)N1c1cccc(Cl)c1 101066865 RATWLGHYRIQFQW-UHFFFAOYSA-N 321.163 3.678 10 1 DHCF CC1=CC(C)(C)n2c(O)c(N=NC(N)=S)c3cccc1c32 377871801 MYFRLZPLVLTIKG-UHFFFAOYSA-N 300.387 3.826 10 1 DHCF O=c1cc(/C=C/C=C/c2ccc(O)c(O)c2)oc2ccccc12 653725384 OLJUVRZHMNZHLW-IJIVKGSJSA-N 306.317 3.931 10 1 DHCF CCCC[C@H]1Cc2cc(O)ccc2-c2n1c1cc(O)ccc1[n+]2C 5838441 DOIVZAAKZIBBPB-AWEZNQCLSA-O 323.416 3.831 10 1 DHCF CC1(C)C(=O)C(=O)C[C@@]2(C)[C@@H]1CC[C@]13C=C[C@@](C)(C1)C(=O)C[C@H]32 257469500 KYOFWFWEZCLKDW-ZIPFVXQXSA-N 314.425 3.512 10 1 DHCF endogenous,in-man COc1ccc([C@H]2CC(c3c(O)ccc4ccccc34)=NN2)cc1 96938883 QTUIYOWSYGRGCB-QGZVFWFLSA-N 318.376 3.993 10 1 DHCF COc1ccc(C2=N[C@@H](C(C)C)N[C@H](c3ccccc3O)C2)cc1 4729358 WYKAPJFLVOOMKV-AZUAARDMSA-N 324.424 3.907 10 1 DHCF O=c1ccc2cc(O)c3oc4cc(O)c(O)cc4c4ccc1c2c34 15266303 AIAFSDUWOGVVBR-UHFFFAOYSA-N 318.284 3.807 10 1 DHCF biogenic CC1(C)C(=O)C(=O)C[C@]2(C)[C@@H]1CC[C@]13C[C@H](CC[C@@H]21)[C@]1(C)O[C@H]31 103554002 QIWFJOONKZIJEL-MIJBDROYSA-N 316.441 3.545 10 1 DHCF biogenic,in-vitro Nc1ccc(Nc2c3ccc(N)cc3nc3cc(N)ccc23)cc1 5161890 UWOVKSLBXBRCJZ-UHFFFAOYSA-N 315.380 3.878 10 1 DHCF CCCN1C[C@H](CSC)C[C@@H]2c3cc(O)c(O)cc3CC[C@H]21 28092499 QDQUCDNSPXERBH-DAXOMENPSA-N 321.486 3.591 10 1 DHCF O=c1c([N+](=O)[O-])ccc[c-]1C/N=N/c1ccc2ccccc2n1 169691924 WQKHSNQUCQGTJB-HTXNQAPBSA-N 307.289 3.506 10 1 DHCF CC1(C)C=Cc2c(cc3c(c2O)Cc2ccc(O)c(O)c2O3)O1 238745272 QKSMBWFKFWNPHZ-UHFFFAOYSA-N 312.321 3.684 10 1 DHCF c1cc(N2CCOCC2)ccc1OC12CC3CC(CC(C3)C1)C2 39239949 LUBIRHPUYMCNQW-UHFFFAOYSA-N 313.441 3.871 10 1 DHCF Cc1cc(C)c2c3c1[C@H]1C=CC[C@@H]1CN3[C@H](C(=O)O)[C@H]1CC=C[C@H]21 4132327 JAJKMVIDKDCQDH-CUGJGTHOSA-N 321.420 3.910 10 1 DHCF Oc1ccc(-c2cc(O)c(-c3ccc(O)c(O)c3)c(O)c2)cc1 96930196 UYKJZEFTPCBTFN-UHFFFAOYSA-N 310.305 3.549 10 1 DHCF COc1cccc(N=Nc2c(C)[nH]n(-c3ccccc3)c2=O)c1 299849925 XSIPXSHPJSZZAP-UHFFFAOYSA-N 308.341 3.898 10 1 DHCF Oc1ccc(C/N=N/c2ccc(Br)cc2)c(O)c1O 169721407 UTRRBIHSUZGFEQ-FOCLMDBBSA-N 323.146 3.850 10 1 DHCF CC1(C)C(=O)C(=O)C[C@]2(C)[C@@H]1CC[C@]13C=C[C@@](C)(C1)C(=O)C[C@H]23 257469499 KYOFWFWEZCLKDW-HROFAYACSA-N 314.425 3.512 10 1 DHCF endogenous,in-man COc1ccc(-c2cnnc(/N=N/C=C/Cc3ccco3)n2)cc1 169688694 LKCGYAYIKSZFET-ZJNDWVKNSA-N 321.340 3.980 10 1 DHCF C[C@@H](c1ccc2ccccc2c1)N1Cc2ccc(O)c(O)c2C1=O 45291351 NQEOPTDQEMMYIR-LBPRGKRZSA-N 319.360 3.968 10 1 DHCF Oc1ccc(-c2ccc(-c3ccc(O)c(O)c3)c(O)c2O)cc1 96930197 MWPLCSJZNAXQEB-UHFFFAOYSA-N 310.305 3.549 10 1 DHCF c1ccc2c(c1)Oc1ccccc1N2CCCN1CCOCC1 27072825 URHQOJVGPGLOIB-UHFFFAOYSA-N 310.397 3.653 10 1 DHCF CC1(C)C(=O)C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C[C@]3(CC[C@@H]12)[C@H]1O[C@@]41C 238770915 QIWFJOONKZIJEL-CCASCXMYSA-N 316.441 3.545 10 1 DHCF CC1(C)C(=O)C(=O)C[C@]2(C)[C@@H]1CC[C@]13C=C[C@](C)(C1)C(=O)C[C@@H]23 100823546 KYOFWFWEZCLKDW-ALUGONPKSA-N 314.425 3.512 10 1 DHCF endogenous,in-man Cc1ccc(/N=N\c2c(N)nn3c(O)c4c(nc23)CCCC4)cc1 102745827 IGRBISRMLBUORW-MRCUWXFGSA-N 322.372 3.620 10 1 DHCF Oc1ccc(-c2n[nH]cc2-c2cccc(Cl)c2)c(O)c1O 1857655900 AXXBTFJTRNZBTI-UHFFFAOYSA-N 302.717 3.514 10 1 DHCF Cc1cc(N(C)CCc2ccc(O)c(O)c2)c2ccccc2n1 200243803 HKBDCDOXWOAXPH-UHFFFAOYSA-N 308.381 3.633 10 3 DHCF CCCC[C@H]1NC[C@H]2c3ccc(O)c(O)c3Cc3cccc1c32 13479457 JESNJOJDSRVNBV-DLBZAZTESA-N 309.409 3.968 10 1 DHCF CC(C)(C)[C@@H]1COc2c(O)ccc(C(=O)c3ccccc3)c2N1 27558060 QISQCKQQOPOQFJ-HNNXBMFYSA-N 311.381 3.842 10 1 DHCF Oc1cc2c(cc1O)[C@H](Cc1ccc3ccccc3c1)NCC2 33967820 WTHURCRQFHKJKU-SFHVURJKSA-N 305.377 3.681 10 1 DHCF CON1N[C@H](c2ccccc2O)C[C@@H]1c1ccc(Cl)cc1 28334455 OPVMUXCJGKXJBK-LSDHHAIUSA-N 304.777 3.600 10 1 DHCF Oc1ccc2nc(-c3cccc(F)c3)[nH]c2c1CN1CCCC1 45191860 JKFJPSCGJAEJPR-UHFFFAOYSA-N 311.360 3.670 10 1 DHCF Nc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1 1857558421 APLTZZCFNLSIAW-UHFFFAOYSA-N 317.190 3.520 10 1 DHCF COc1cc(/C=C\c2nc3cc(C)c(F)cc3[nH]2)cc(O)c1O 587785922 PTQSDMMSSUKXCO-ARJAWSKDSA-N 314.316 3.601 10 1 DHCF O=C1C(=O)[C@H](c2cccs2)Nc2cc(C(F)(F)F)ccc21 957626391 OAUAMESSUJNWMK-NSHDSACASA-N 311.284 3.686 10 1 DHCF O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C/c1c[nH]c2ccccc12 45369386 WBRPPHJZABKGEK-AUWJEWJLSA-N 305.293 3.569 10 1 DHCF COc1cc(/C=C\c2nc3cc(C)cc(F)c3[nH]2)cc(O)c1O 587784634 BRBBAEDBPDIDCI-ARJAWSKDSA-N 314.316 3.601 10 1 DHCF Cn1c2c(c3ccccc31)C(=O)c1cnc3ccccc3c1C2=O 84652275 IFXUEPDKPSOJGC-UHFFFAOYSA-N 312.328 3.502 10 1 DHCF Fc1ccccc1NCCCn1c2c(c3ccccc31)CCNC2 1857566932 AUUZYPJPIUSWBI-UHFFFAOYSA-N 323.415 3.928 10 1 DHCF c1ccn(-c2ccc(-c3noc(CCc4ccncc4)n3)cc2)c1 203475006 ZSJPDSUUGKYTRH-UHFFFAOYSA-N 316.364 3.708 10 3 DHCF [N-]=[N+]=NCCCCCCc1nc2ccc([C@H](N)N=O)cc2[nH]1 587259590 FJXAIQJCODLOPI-CQSZACIVSA-N 301.354 3.700 10 1 DHCF Cc1nc2ccccn2c1C(=O)/N=N\c1c(O)[nH]c2ccccc12 17967466 HCHLRGQSYJIQHE-MRCUWXFGSA-N 319.324 3.754 10 1 DHCF [N-]=[N+]=N[C@@H]1C(=O)N(Cc2ccccc2)[C@@H]1/C=C/c1ccccc1 72178347 AGLUHBYMLIRXIU-SFDDJJRUSA-N 304.353 3.790 10 1 DHCF Nc1c(SC=CCl)ccc2c1C(=O)c1ccccc1C2=O 2356611425 WRJHYLHSYARSKH-UHFFFAOYSA-N 315.781 3.846 10 1 DHCF O=C(c1cccc(O)c1)c1ccc(-c2ccc(O)c(O)c2)s1 64437139 VVJATUBFVIMEMR-UHFFFAOYSA-N 312.346 3.763 10 1 DHCF COc1cccc(/N=N/c2c(-c3cccc(OC)c3)[nH][nH]c2=O)c1 169723227 MQHPKEXUVLHSGX-CZIZESTLSA-N 324.340 3.803 10 1 DHCF CCC(CC)CN1C(=O)S/C(=C\c2ccc(O)c(O)c2)C1=O 84711410 XIWOFXACPNHDKB-ZSOIEALJSA-N 321.398 3.570 10 1 DHCF CCOC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2C=CC[C@@H]12 15952398 PUEWEHOAOWONJT-WDMOLILDSA-N 311.303 3.722 10 1 DHCF COc1cccc(C/N=N/c2nn3cnnc3c3ccccc23)c1 169686773 YCLGJWYRCNEOIP-CZIZESTLSA-N 318.340 3.570 10 1 DHCF O=C(O)CCNCCC=C1c2ccccc2CCc2ccccc21 299871200 YAWPAHLIAQXORU-UHFFFAOYSA-N 321.420 3.671 10 1 DHCF COc1ccc(N(CC[C@@H]2CCCCN2C)C(C)C)cc1OC 473123870 VUXBEOJEZYNHQZ-INIZCTEOSA-N 320.477 3.793 10 1 DHCF Cc1cc(N)ccc1/N=N\c1c(C)n(C)n(-c2ccccc2)c1=O 102632608 HRELIOJXTHLJEH-MRCUWXFGSA-N 321.384 3.790 10 1 DHCF O=c1oc2cc(NCc3ccccc3O)ccc2c2c1CCCC2 299865393 NQCAJYOGNIFWNF-UHFFFAOYSA-N 321.376 3.990 10 1 DHCF Oc1ccccc1CNc1cc(Br)cc2[nH]ncc12 1772649000 IWFPHRQZHDYUTC-UHFFFAOYSA-N 318.174 3.643 10 1 DHCF CO[C@]12CCCC[C@@H]1[C@@H]1O[C@@H](C)[C@@H](C)c3c(O)c(O)cc(c31)O2 2356427387 YDRQQUSYQSDEOI-UHCOAAFYSA-N 320.385 3.586 10 1 DHCF O=C(C(=O)c1ccc(F)c(F)c1F)c1ccc(F)c(F)c1F 28713890 PWUSEBWVFQBDEQ-UHFFFAOYSA-N 318.172 3.587 10 1 DHCF in-vivo CC1(C)C(=O)C(=O)C[C@@]2(C)[C@@H]1CC[C@]13C=C[C@@](C)(C1)C(=O)C[C@@H]32 257469498 KYOFWFWEZCLKDW-AHNZJHFUSA-N 314.425 3.512 10 1 DHCF endogenous,in-man C[C@@]1(c2ccc(O)c(O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587532797 NYMKDRQIQOQOOF-FQEVSTJZSA-N 324.376 3.857 10 1 DHCF CCn1c(/C=C2/C(=O)Nc3ccc(F)cc32)nc2ccccc21 1772635460 WALREFVOTWJVOP-JLHYYAGUSA-N 307.328 3.688 10 1 DHCF COc1ccccc1[C@H]1CC(c2ccc3ccccc3c2O)=NN1 96938893 MRRGXPWFZUZLSG-QGZVFWFLSA-N 318.376 3.993 10 1 DHCF O=[N+]([O-])c1cnc(Sc2nc3cc(Cl)ccc3o2)s1 40954535 DCZDSEJKCXETHT-UHFFFAOYSA-N 313.747 3.997 10 1 DHCF Cc1ccc(C2=NC(=O)/C(=C/c3ccc(C(=O)O)cc3)S2)cc1 299818748 CGIUOSPARHYYCM-GDNBJRDFSA-N 323.373 3.754 10 1 DHCF O=C(c1cccc(-c2cccc(O)c2F)c1)c1cccc(O)c1O 1772589970 CLXJPWRKQQRFFZ-UHFFFAOYSA-N 324.307 3.841 10 1 DHCF Cc1ccnc2c1CCN[C@@]2(C)c1ccc(C(F)(F)F)cc1O 963068325 KJTFUQHYQFDQOY-INIZCTEOSA-N 322.330 3.524 10 1 DHCF CCOc1ccc2c(c1)CN1CN2Cc2cc(OCC)ccc21 103179808 PNPFDNWXTXUVJL-UHFFFAOYSA-N 310.397 3.782 10 1 DHCF CCCN1C[C@H](CSC)C[C@@H]2c3ccc(O)c(O)c3CC[C@H]21 28093742 ZMAZRCLJSQUSJS-DAXOMENPSA-N 321.486 3.591 10 1 DHCF COc1cccc2c(-c3ccc(O)c4c3CCNC4)ccc(O)c12 64453848 JFAMKXXVQMYAKF-UHFFFAOYSA-N 321.376 3.572 10 1 DHCF CN(C)c1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1 28824595 WGRWYEJKUYJJOR-UHFFFAOYSA-N 306.291 3.710 10 1 DHCF CCN(CC)/N=N/c1c2ccoc2c(OC)c2oc(=O)ccc12 1857564697 KFAYKOYYOFFOHI-ISLYRVAYSA-N 315.329 3.888 10 1 DHCF O=c1oc2ccc(Cl)cc2c2oc3cc(O)c(O)cc3c12 196694046 LMYULWDTTMPMJV-UHFFFAOYSA-N 302.669 3.757 10 1 DHCF O=[S@@](/C=C/c1ccc(O)c(O)c1)Cc1ccc(Cl)cc1 169337040 MCURAGAWMOVGIJ-DUIUGDAFSA-N 308.786 3.671 10 1 DHCF Cc1ccccc1OCC(=O)/N=N\c1c(O)n(C)c2ccccc12 102383970 UPNHELQLKIPDPQ-VXPUYCOJSA-N 323.352 3.882 10 1 DHCF CN1N=C(c2ccc(O)cc2O)C[C@H]1c1cccc(Cl)c1 96921787 HRDLYKLTNMIJLI-HNNXBMFYSA-N 302.761 3.532 10 1 DHCF [N-]=[N+]=NCC(=O)NCCc1c(-c2ccccc2)[nH]c2ccccc12 36242979 AMJYHYYNTXTMTI-UHFFFAOYSA-N 319.368 3.804 10 1 DHCF NC(=S)/N=N/c1c(O)n(Cc2ccccc2)c2ccccc12 101914626 KQFHBNWGAOWPRO-VHEBQXMUSA-N 310.382 3.723 10 1 DHCF Cc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\c1ccc(N(C)C)cc1 40866473 QLWDJBTWDYZGAE-ZROIWOOFSA-N 312.394 3.787 10 1 DHCF Cc1ccc([C@H]2CN[C@@H]3CCc4cc(O)c(O)cc4[C@H]3C2)cc1 95565819 BFVQTKZRCBZOSI-KBAYOESNSA-N 309.409 3.582 10 1 DHCF CCc1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@H]1C[C@H]2OC3=O 2356506581 MMFRMKXYTWBMOM-VLXJIEOASA-N 316.397 3.726 10 1 DHCF COc1cccc([C@@H]2CC(c3ccc4ccccc4c3O)=NN2)c1 96938894 PFBLLUKSXSVCLP-SFHVURJKSA-N 318.376 3.993 10 1 DHCF CC(C)(Cl)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587008355 OACHEJNYNFEPMB-UHFFFAOYSA-N 324.767 3.812 10 1 DHCF Cc1c(F)ccc2c1[C@H](c1cc(F)c(Cl)cc1O)NCC2 962091017 KIFJUXLQQSSKQJ-INIZCTEOSA-N 309.743 3.867 10 1 DHCF COc1cc2c(c(O)c1CC=C(C)CCC=C(C)C)CNC2=O 2356481919 AXUYTAQZPXNVBF-UHFFFAOYSA-N 315.413 3.879 10 1 DHCF C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)/N=N/N(C)C 64417195 TZTDRSHGCUYEFB-SPTIJETGSA-N 319.408 3.985 10 1 DHCF CC(C)NCc1cc2c(cc1O)OC=C(c1ccc(O)cc1)C2 473160625 YRQLBXYZHPMWNI-UHFFFAOYSA-N 311.381 3.572 10 1 DHCF CCC(=O)N[C@@H](c1ccccc1)c1ccc2cccnc2c1O 102537 ZFUPNSFODRGWDL-KRWDZBQOSA-N 306.365 3.556 10 1 DHCF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=N)C(=O)CC[C@@]43C)[C@@H]1CCC2=O 169684352 VPEMVIXWAGVSOI-VDRZSPDHSA-N 301.430 3.797 10 1 DHCF C[C@H]([C@@H]1CCCc2ccccc21)N1Cc2ccc(O)c(O)c2C1=O 45245928 CMQGHZCIONQBDJ-DOMZBBRYSA-N 323.392 3.562 10 1 DHCF CN1N=C(c2ccc(O)cc2O)C[C@H]1c1ccccc1Cl 96921785 FOKCUXSBXKVVKH-HNNXBMFYSA-N 302.761 3.532 10 1 DHCF O=C1c2ccsc2C(=O)c2c(-c3cccc(Cl)c3)noc21 1857610656 XCJCXWYIMGRWNU-UHFFFAOYSA-N 315.737 3.832 10 1 DHCF NC(=S)N=Nc1c(O)n(Cc2ccccc2)c2ccccc12 299813293 KQFHBNWGAOWPRO-UHFFFAOYSA-N 310.382 3.723 10 1 DHCF CCc1ccc2c(c1)c(N=NC1=NC(=O)CS1)c(O)n2CC 253982944 PSQRPUNVKZWTEY-UHFFFAOYSA-N 316.386 3.642 10 1 DHCF C[C@H]1CC(C)(C)n2c(O)c(N=NC(N)=S)c3cccc1c32 377871796 LHIMHWGGFSPKNN-QMMMGPOBSA-N 302.403 3.917 10 1 DHCF Cc1cc(-c2nc(C(=O)O)co2)c(C)n1-c1ccc(F)cc1 95615476 PZPDUGQJGPKVEM-UHFFFAOYSA-N 300.289 3.586 10 1 DHCF O=C(C(=O)c1cc(F)cc(F)c1F)c1cc(F)cc(F)c1F 28713889 KLUCLGJNULKHIS-UHFFFAOYSA-N 318.172 3.587 10 1 DHCF in-vivo CCN1CCN(C(C)C)[C@H]2CCn3c(c(C)c4ccccc43)[C@H]21 299812818 WXNVFYIBELASJW-ICSRJNTNSA-N 311.473 3.809 10 1 DHCF C[C@H](c1cc2c(o1)C(=O)c1ccccc1C2=O)N1CCCCC1 1857767297 YLORNKJFUFXLIZ-GFCCVEGCSA-N 309.365 3.602 10 1 DHCF C[C@@]1(c2c(O)cccc2O)c2c(F)cccc2C[C@@H]2CCCN21 963099877 IQPXWQYDKNQIOJ-DJJJIMSYSA-N 313.372 3.521 10 1 DHCF O=C(/C=C/c1ccc(O)c(O)c1)OCCc1cccc(Cl)c1 1772642628 KZAPYQGADACHJI-FNORWQNLSA-N 318.756 3.550 10 1 DHCF CCOC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1ccccc1 96937645 HHYQMNSRTBZUSU-MRXNPFEDSA-N 310.353 3.700 10 1 DHCF CC(C)[C@@](C)(O)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586891516 UAOPIINGAUBUCC-GOSISDBHSA-N 311.385 3.801 10 1 DHCF Cc1cccc2c3c(ccc12)-c1occ(CN(C)C)c1C(=O)C3=O 1772579809 LWMUULZKPWOXHT-UHFFFAOYSA-N 319.360 3.849 10 1 DHCF O=C(CCc1ccc(CN2CCCCC2)c(O)c1)c1ccc[nH]1 473090284 OCXDDMODERLCFJ-UHFFFAOYSA-N 312.413 3.522 10 1 DHCF COc1cc(/C=C/c2nc3cccc(Cl)c3[nH]2)cc(O)c1O 587785289 KQCJXXFVAPBUOT-AATRIKPKSA-N 316.744 3.807 10 1 DHCF CC(C)(c1ccc(O)c(O)c1)C(C)(C)c1ccc(O)c(O)c1 27986923 ZSVWTKSPCSYFBN-UHFFFAOYSA-N 302.370 3.764 10 1 DHCF CO[C@]12CCCC[C@@H]1[C@@H]1O[C@H](C)[C@H](C)c3c(O)c(O)cc(c31)O2 2356427385 YDRQQUSYQSDEOI-GELLBLDSSA-N 320.385 3.586 10 1 DHCF CN1/C(=C/C=C/c2oc3ccccc3[n+]2C)Oc2ccccc21 1500968 XLKQLIAYDLMVLG-UHFFFAOYSA-N 305.357 3.641 10 1 DHCF CCCN1Cc2ccccc2[C@@H]2c3cc(O)c(O)cc3CC[C@H]21 13478187 VNVHTKVGILYCGH-YLJYHZDGSA-N 309.409 3.770 10 1 DHCF O=C1c2ccsc2C(=O)c2c(-c3ccccc3Cl)noc21 1857566097 FEDHVZJMJNTQDM-UHFFFAOYSA-N 315.737 3.832 10 1 DHCF O=C1COC(c2ccc(/N=N/c3ccc(Cl)cc3)cc2)=NN1 1772586475 UCYAFGXWEPZYAI-ISLYRVAYSA-N 314.732 3.563 10 1 DHCF [N-]=[N+]=NCCCCCCc1nc2cc(C(=O)O)c(F)cc2[nH]1 587259773 IHSDHZAVOJHWIF-UHFFFAOYSA-N 305.313 3.813 10 1 DHCF CC(=O)Nc1cnc(SCc2ncc(C(C)(C)C)o2)s1 13490954 VPNZANHNZNKLCG-UHFFFAOYSA-N 311.432 3.679 10 1 DHCF O=C1c2ccccc2C(=O)c2c1cccc2-c1ccc(O)cc1 168657591 RSQFCTICSPONJS-UHFFFAOYSA-N 300.313 3.835 10 1 DHCF C(=C/c1ccnc2ccccc12)\c1ccc(N2CCNCC2)cc1 72137582 MBRHTVLRMGLEAP-VMPITWQZSA-N 315.420 3.815 10 1 DHCF CC(C)(C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 45349570 KUYSUJXFKAJURZ-UHFFFAOYSA-N 304.349 3.636 10 1 DHCF CC1=NN(C(=O)/C=C/c2ccccc2)[C@@H](c2ccccc2O)C1 653736061 LKLKDEHWEJOHLX-FMQWLBJXSA-N 306.365 3.755 10 1 DHCF CCOC(=O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@H]12 169365817 PUEWEHOAOWONJT-SUNKGSAMSA-N 311.303 3.722 10 1 DHCF COc1ccc2[nH]cc(C=C3C(=O)Nc4ccc(F)cc43)c2c1 1857628247 DNRRGJOKYJRSRC-UHFFFAOYSA-N 308.312 3.808 10 1 DHCF Cc1ccccc1[C@@H]1CN(C)CCc2c1cc(O)c(O)c2Cl 89464587 SXTBQXMNBBGFOM-HNNXBMFYSA-N 317.816 3.679 10 1 DHCF NC(=S)/N=N\c1c(O)n(Cc2ccccc2)c2ccccc12 8686872 KQFHBNWGAOWPRO-HNENSFHCSA-N 310.382 3.723 10 1 DHCF O=C(/N=N\c1c(O)[nH]c2ccccc12)c1ccc2c(c1)OCO2 102745334 LNHIHSORYNAWNR-HNENSFHCSA-N 309.281 3.526 10 1 DHCF C[C@@H]1[C@@H](c2ccc(O)cc2)O[C@H](c2ccc(O)c(O)c2)[C@@H]1C 14781697 HKSHEXWQPGOEAT-RJTFECQESA-N 300.354 3.888 10 1 DHCF biogenic,in-vitro CCN(Cc1cnc[nH]1)c1ccc(OC(F)(F)F)c(Cl)c1 96177558 NMOUJFCCZLFUQE-UHFFFAOYSA-N 319.714 3.988 10 1 DHCF Cc1cc(C(F)(F)F)n2[nH]c(=O)c(/N=N\c3ccccc3)c2n1 102716278 MSDKABSMDASZQT-VXPUYCOJSA-N 321.262 3.765 10 1 DHCF Cc1oc2c(c1C(=O)c1ccccc1)C(=O)c1ccccc1C2=O 408471 LNYQSJFKIKAWNL-UHFFFAOYSA-N 316.312 3.594 10 1 DHCF Cc1cccc2c1C(=O)N1CCc3c([nH]c4ccccc34)[C@H]1N2C 95557272 SKXIYCHENBZPQU-IBGZPJMESA-N 317.392 3.623 10 1 DHCF O=C1NC(=S)/C(=C/c2ccccc2Br)S1 43069961 QUEGTYHHTRPMBD-YVMONPNESA-N 300.202 3.574 10 1 DHCF COc1c(OC)c2c(C)c(O)c(O)cc2c2cc(O)c(C)cc12 143510316 KCGXLKUBNUOOMP-UHFFFAOYSA-N 314.337 3.744 10 1 DHCF COc1cc(/C=C\c2nc3cc(C)c(C)cc3[nH]2)cc(O)c1O 587785457 MDQQQSSFUXZUGV-PLNGDYQASA-N 310.353 3.770 10 1 DHCF CCCN1CCc2cc(O)c(O)c3c2[C@H]1Cc1ccccc1C3 29041747 DOVBELPPXZSOPX-QGZVFWFLSA-N 309.409 3.554 10 1 DHCF CCCCCc1cc(O)c([C@H]2CCC(=O)N2C(C)C)c(O)c1 2356284201 RZQPHYXUUPFQID-CQSZACIVSA-N 305.418 3.902 10 1 DHCF Nc1ccc(Oc2ccc3nc(COC(F)(F)F)[nH]c3c2)cc1 587124596 NBLJCXHKTCDLOP-UHFFFAOYSA-N 323.274 3.974 10 1 DHCF CN(Cc1c(O)c(Cl)cc(Cl)c1Cl)C[C@@H]1CCCO1 27858727 XMOSWDKYSXJTAQ-QMMMGPOBSA-N 324.635 3.963 10 1 DHCF Cc1c(Cl)ccc2[nH]c(-c3ccc(N(C)CCO)cc3)nc12 587193237 VRQKZFUKJKXNAK-UHFFFAOYSA-N 315.804 3.620 10 1 DHCF Cc1ccc(N=Nc2c(N)nn3c(O)c4c(nc23)CCCC4)cc1 253531533 IGRBISRMLBUORW-UHFFFAOYSA-N 322.372 3.620 10 1 DHCF CN(C)c1ccc(/C=C2\C(O)=NC(=O)N2Cc2ccccc2)cc1 40424317 MARVQUPYNMUVAM-SFQUDFHCSA-N 321.380 3.686 10 1 DHCF Nc1ccc(Oc2ccc3nc([C@H]4CC[C@@H](N)C4)[nH]c3c2)cc1 587246890 JQXYYBFHQYJCFE-WCQYABFASA-N 308.385 3.532 10 1 DHCF CON1N[C@@H](c2ccccc2O)C[C@H]1c1ccc(Cl)cc1 40533227 OPVMUXCJGKXJBK-CABCVRRESA-N 304.777 3.600 10 1 DHCF Nc1ccc(Nc2n[nH]c(N)c2-c2nc3ccccc3s2)cc1 114401033 PLSYJNIKYWCABG-UHFFFAOYSA-N 322.397 3.594 10 1 DHCF CCCCCC(=O)Nc1cccc(C(=O)C(=O)c2ccccn2)c1 66251833 CTDMQBWHZJEYIN-UHFFFAOYSA-N 324.380 3.666 10 1 DHCF COc1cccc(-c2ccc(O)c(CN3CCC[C@H](C)C3)c2)n1 45386744 YBDAZZAUYYWRTF-AWEZNQCLSA-N 312.413 3.695 10 1 DHCF CC(C)c1cc(CN2CCOCC2)cc(C(C)C)c1N(C)C 28007625 WIPQUJFDHZDVES-UHFFFAOYSA-N 304.478 3.832 10 1 DHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(C3CCC3)[nH]c21 586884612 QJQYCANJUFXSMI-UHFFFAOYSA-N 302.333 3.606 10 1 DHCF Oc1n[nH]c(O)c1/N=N/c1ccc(-c2nc3ccccc3[nH]2)cc1 1772570424 VGWOCQVTADZZAW-FMQUCBEESA-N 320.312 3.780 10 1 DHCF CC(=O)N1N=C(c2ccc(O)cc2)C[C@H]1c1cccc(Cl)c1 13560420 NFNIZHGTFPKXQX-KRWDZBQOSA-N 314.772 3.743 10 1 DHCF CSC1=NN(c2ccccc2)C(=O)C1=C(SC)SC 1858370 NJEYDNKKBDHAJX-UHFFFAOYSA-N 310.469 3.647 10 1 DHCF C=Cc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1 28769047 HGWVDBLPHYBBTH-UHFFFAOYSA-N 318.424 3.528 10 1 DHCF Cc1cc(C)c2c(O)cc(C3C(=O)c4ccccc4C3=O)nc2c1 101929133 AFJREPFVPWPOCL-UHFFFAOYSA-N 317.344 3.720 10 1 DHCF O=c1cc(/C=C/C=C/c2ccc(O)c(O)c2)oc2cccc(O)c12 653725329 ACQXOEULWKTONG-GRSRPBPQSA-N 322.316 3.636 10 1 DHCF CCCCCc1cc(O)c([C@@H]2CCC(=O)N2C(C)C)c(O)c1 2356284200 RZQPHYXUUPFQID-AWEZNQCLSA-N 305.418 3.902 10 1 DHCF Cc1cc2c(cc1F)[C@H](c1cc(Cl)cc(C=O)c1O)NCC2 962091135 JORDIEKZLRNDFG-MRXNPFEDSA-N 319.763 3.541 10 1 DHCF Cc1c(F)ccc2c1[C@@H](c1cc(F)c(Cl)cc1O)NCC2 962091020 KIFJUXLQQSSKQJ-MRXNPFEDSA-N 309.743 3.867 10 1 DHCF Cn1c(/C=C2/C(=O)Nc3ccc(Cl)cc32)nc2ccccc21 1772585177 GFYLDWHAEZABCO-FMIVXFBMSA-N 309.756 3.719 10 1 DHCF O=[N+]([O-])c1ccc(C/N=N/c2nccc(C(F)(F)F)n2)cc1 169720496 YQFRFAKJHBLBST-HTXNQAPBSA-N 311.223 3.688 10 1 DHCF COc1ccc(-c2nsc3c2C(=O)c2ccccc2C3=O)cc1 1911582267 RXJBRSHJEJTPKQ-UHFFFAOYSA-N 321.357 3.594 10 1 DHCF Fc1ccc(OCCCn2c3c(c4ccccc42)CCNC3)cc1 1857554347 UHGXFSJLHWMKLR-UHFFFAOYSA-N 324.399 3.895 10 1 DHCF C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)/N=N/N(C)C 64417193 TZTDRSHGCUYEFB-SRHMYCKGSA-N 319.408 3.985 10 1 DHCF CCOC(=O)c1c(O)csc1Nc1cnc2ccccc2c1 169730433 OUHCIPFWOOCGNC-UHFFFAOYSA-N 314.366 3.922 10 1 DHCF CCCC[C@@H]1Cc2cc(O)ccc2-c2n1c1cc(O)ccc1[n+]2C 5838350 DOIVZAAKZIBBPB-CQSZACIVSA-O 323.416 3.831 10 1 DHCF Cc1ccc(S(=O)(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1 96901862 VSSQXOURQLCLKF-ISLYRVAYSA-N 315.354 3.655 10 1 DHCF Cc1ccc(S(=O)(=O)N=Nc2c(O)[nH]c3ccccc23)cc1 253989132 VSSQXOURQLCLKF-UHFFFAOYSA-N 315.354 3.655 10 1 DHCF CC[C@]1(c2cccc(Cl)c2O)NCCc2c(C)ccnc21 963072529 SVCHRKKXOBXXQU-QGZVFWFLSA-N 302.805 3.548 10 1 DHCF O=C1C(=O)[C@@H](c2cccs2)Nc2cc(C(F)(F)F)ccc21 957626381 OAUAMESSUJNWMK-LLVKDONJSA-N 311.284 3.686 10 1 DHCF CCOC(=O)c1c(C)[nH]c(N=Nc2ccc3c(c2)OCO3)c1C 618008723 JICZNPTUUIQHQF-UHFFFAOYSA-N 315.329 3.952 10 1 DHCF CCSc1ncc(C/N=N/c2ccc([N+](=O)[O-])cc2)n1C 169688535 KWZROOSEGQYCPQ-FOCLMDBBSA-N 305.363 3.724 10 1 DHCF CC(C)c1cc2c(s1)CN[C@H]1CCc3cc(O)c(O)cc3[C@H]21 13762028 XCVRPMHYLBIKRT-SCLBCKFNSA-N 315.438 3.833 10 1 DHCF COc1ccc(C[C@@H](C)[C@H](C)Cc2ccc(O)c(O)c2)cc1O 14760175 AQFBDCAGEIMHAX-CHWSQXEVSA-N 316.397 3.869 10 1 DHCF biogenic COc1cccc2c(NC[C@H]3CCCO3)c3ccccc3nc12 45260740 XEKUGLCGONWFBJ-CYBMUJFWSA-N 308.381 3.988 10 1 DHCF COc1ccc(/C=C2\SC(c3ccc(F)cc3)=NC2=O)cc1 84651919 HVWOVGHLFFOCPG-GDNBJRDFSA-N 313.353 3.895 10 1 DHCF CCOC(=O)N1N=C(c2ccccc2O)C[C@H]1c1ccccc1 96937644 HHYQMNSRTBZUSU-INIZCTEOSA-N 310.353 3.700 10 1 DHCF Oc1ccc(-c2ccc(-c3ccc(O)c(O)c3)s2)cc1O 142484673 NXMDFVUDNRPFIE-UHFFFAOYSA-N 300.335 3.905 10 1 DHCF Cc1cccc(N/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)n1 1857590880 WUITWUPRLOLNDK-RAXLEYEMSA-N 312.756 3.937 10 1 DHCF CN(C)c1ccc(-c2nc3ncc(-c4cccnc4)cc3[nH]2)cc1 28824601 CYHWQYPQQWNDBU-UHFFFAOYSA-N 315.380 3.753 10 1 DHCF CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)C2 2356483530 NOYGOWYVUFENNY-CRFBAAHOSA-N 316.397 3.869 10 1 DHCF CC=C1CN2[C@H]3C[C@H]1[C@H]1CO[C@@H](c4c3n(C)c3ccccc43)[C@@H]12 2356537274 NDUXTABOXUQPOS-NQYSCPQGSA-N 306.409 3.571 10 1 DHCF Cc1cc2c3c(c1)[C@H]1C=CC[C@H]1[C@H](C(=O)O)N3C[C@H]1CC=C[C@H]21 4132300 MWQDELXFQPFTJG-QHGRHRLRSA-N 307.393 3.601 10 1 DHCF CN1Cc2c(ccc(O)c2O)-c2ccc3cc4c(cc3c21)OCO4 2356810050 AVKPULNOCBICDB-UHFFFAOYSA-N 321.332 3.597 10 1 DHCF CCCCN(CCc1ccccc1)CCc1ccc(O)c(O)c1 33865238 PZZWEXJGFWHIDV-UHFFFAOYSA-N 313.441 3.985 10 1 DHCF COc1ccc2[nH]c(O)c(N=NC(=O)Cc3cccs3)c2c1 253928638 WVSZVFXTFKGPSP-UHFFFAOYSA-N 315.354 3.797 10 1 DHCF COc1cccc([C@H]2CC(c3ccc4ccccc4c3O)=NN2)c1 96938895 PFBLLUKSXSVCLP-GOSISDBHSA-N 318.376 3.993 10 1 DHCF O=[N+]([O-])c1ccc(O)c(CNc2cccc(C(F)(F)F)c2)c1 1857546391 XALNDMHVVLBJLT-UHFFFAOYSA-N 312.247 3.931 10 1 DHCF COc1cc2c(cc1OC)[C@@]1(C)CCCC(C)(C)[C@H]1C(=O)C2=O 28568754 KIFIEXHVQNVMNB-IEBWSBKVSA-N 316.397 3.553 10 1 DHCF Cc1cc(Cl)cc2[nH]c(-c3ccc(N(C)CCO)cc3)nc12 587193125 SZVXOVOHFFHRQU-UHFFFAOYSA-N 315.804 3.620 10 1 DHCF CN(C)/N=N/c1c(Br)cccc1Br 18067150 WBWICXLJINWSOO-VAWYXSNFSA-N 306.989 3.772 10 1 DHCF C[C@H]([C@H]1CCCc2ccccc21)N1Cc2ccc(O)c(O)c2C1=O 45245929 CMQGHZCIONQBDJ-IUODEOHRSA-N 323.392 3.562 10 1 DHCF COc1ccc([C@@H]2CC(c3c(O)ccc4ccccc34)=NN2)cc1 96938882 QTUIYOWSYGRGCB-KRWDZBQOSA-N 318.376 3.993 10 1 DHCF Nc1ccc(Oc2ccc3nc(C4CC5(COC5)C4)[nH]c3c2)cc1 586915751 RHELPYIDUKLXHU-UHFFFAOYSA-N 321.380 3.831 10 1 DHCF Oc1cc2c(cc1O)[C@@H](Cc1ccc3ccccc3c1)NCC2 33967819 WTHURCRQFHKJKU-GOSISDBHSA-N 305.377 3.681 10 1 DHCF CC(C)c1cccc(Cn2cc(-c3ccc(O)c(O)c3)nn2)c1 473132379 QXTQUIRURWXJGT-UHFFFAOYSA-N 309.369 3.528 10 1 DHCF CCCN1CCc2cc(C)cc3c2[C@@H]1Cc1ccc(O)c(O)c1-3 43014506 IQXHLUBOFQZZLM-INIZCTEOSA-N 309.409 3.939 10 1 DHCF in-vitro COc1cccc(-c2ccc(O)c(CN3CCC(C)CC3)c2)n1 12243667 YEGASIONUNJYDP-UHFFFAOYSA-N 312.413 3.695 10 1 DHCF CCSc1nc2cc3c(cc2o1)C(=O)c1ccccc1C3=O 299824451 LEABIPOFLSVOPG-UHFFFAOYSA-N 309.346 3.715 10 1 DHCF COc1cc(OC)c2[nH]c(CCCCCCN=[N+]=[N-])nc2c1 587259335 CWAQWVXOENYSFD-UHFFFAOYSA-N 303.366 3.993 10 1 DHCF COc1cc(Cl)c2c(c1O)CN1CCc3sccc3[C@@H]1C2 1857747190 UZQVLKNOGUDHLE-ZDUSSCGKSA-N 321.829 3.771 10 1 DHCF COc1cc(C)cc(CN2CC=C(c3ccccc3)CC2)c1O 6077397 FUDLNKZLVWDZKX-UHFFFAOYSA-N 309.409 3.999 10 3 DHCF CNc1c(OC)cc2ccnc3c2c1C(=O)c1cc(OC)ccc1-3 13432681 YRFCNSUMOFQEFS-UHFFFAOYSA-N 320.348 3.505 10 1 DHCF biogenic,in-vitro C[n+]1c(/C=C/c2c[nH]c3ccccc23)cc(N)c2ccccc21 96910889 RQNKQWXJUNBHII-UHFFFAOYSA-O 300.385 3.898 10 1 DHCF CO[C@]12CCCC[C@@H]1[C@@H]1O[C@@H](C)[C@H](C)c3c(O)c(O)cc(c31)O2 2356427386 YDRQQUSYQSDEOI-NBUZNBITSA-N 320.385 3.586 10 1 DHCF COc1ccc(-c2coc3c2C(=O)c2ccccc2C3=O)cc1 1857744562 DWIJEFQDVDRKED-UHFFFAOYSA-N 304.301 3.731 10 1 DHCF O=C1NC(=S)S/C1=C\c1ccc(SCc2ccco2)o1 5025801 CWSMJZATCCRPAQ-POHAHGRESA-N 323.420 3.654 10 3 DHCF aggregator O=C(O)c1cccc2c(-c3cnccn3)c(-c3ccccc3)[nH]c12 587638965 LFBQJXMOPGCJRB-UHFFFAOYSA-N 315.332 3.990 10 1 DHCF Nc1c(C(=O)O)sc2nc3c(cc12)C[C@H](c1ccccc1)CC3 33766492 WNYMCFNFMXXNKL-LLVKDONJSA-N 324.405 3.849 10 1 DHCF C[C@@H](Cc1ccc(O)c(O)c1)[C@@H](C)Cc1ccc2c(c1)OCO2 2356614331 QCBADAYUZALFHP-STQMWFEESA-N 314.381 3.884 10 1 DHCF O=C(/C=C/c1ccc(O)c(O)c1)Oc1ccc2ccccc2c1 40919154 GONMLSWFZFPACZ-UXBLZVDNSA-N 306.317 3.870 10 1 DHCF CCOC(=O)n1c(O)c(/N=N/C(=N)S)c2cc(C)ccc21 101607371 VSFGLACRFIEPIO-FOCLMDBBSA-N 306.347 3.608 10 1 DHCF CCc1ccc2c(c1)c(/N=N\C1=NC(=O)CS1)c(O)n2CC 13125661 PSQRPUNVKZWTEY-ZCXUNETKSA-N 316.386 3.642 10 1 DHCF CC(C)=CCC/C(C)=C/COC(=O)c1cc(O)c(O)c(O)c1 13513126 MSJJHLNDRMIKET-KPKJPENVSA-N 306.358 3.653 10 1 DHCF O=C1CC(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 100488801 OOCOGUZUPHKGOY-UHFFFAOYSA-N 321.163 3.678 10 1 DHCF CCCc1csc2c1CN[C@@H]1CCc3cc(O)c(O)cc3[C@@H]21 13762046 KORFPJPKHFBFSL-RHSMWYFYSA-N 315.438 3.662 10 1 DHCF Nc1ccc(Cn2ccc3nc(-c4ccccc4F)nc-3c2)cc1 100068512 QPHQWNDLBOMYJN-UHFFFAOYSA-N 318.355 3.820 10 1 DHCF COc1cccc(C2=N[C@H](C(C)C)N[C@H](c3ccccc3O)C2)c1 4729679 FTHZZMSVKMCFGJ-ICSRJNTNSA-N 324.424 3.907 10 1 DHCF CCn1c(O)c(/N=N/C(=O)[C@H](O)c2ccccc2)c2ccccc21 101925738 QPCFRTHWZMCHNJ-ZBBYCGENSA-N 323.352 3.711 10 1 DHCF CO[C@]12CCCC[C@@H]1[C@@H]1O[C@H](C)[C@@H](C)c3c(O)c(O)cc(c31)O2 2356427384 YDRQQUSYQSDEOI-BJYUQMTGSA-N 320.385 3.586 10 1 DHCF NCCCCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 84710188 AILQXGWFOZVNHL-UHFFFAOYSA-N 324.384 3.837 10 1 DHCF CCc1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O 238748107 MMFRMKXYTWBMOM-WTOJCKNJSA-N 316.397 3.726 10 1 DHCF CC1(C)[C@H]2CC[C@]1(C)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C2 29123831 NOYGOWYVUFENNY-VNQYAIOASA-N 316.397 3.869 10 1 DHCF Cc1cc2c3c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)O)N3C[C@H]1CC=C[C@H]21 4132298 MWQDELXFQPFTJG-ZEKKIGMLSA-N 307.393 3.601 10 1 DHCF O=c1c2cc(Cc3ccccc3)ccc2oc2ccc(O)c(O)c12 13493126 IZPBVSQWSQZLOP-UHFFFAOYSA-N 318.328 3.948 10 1 DHCF CC(C)(C)[C@H]1COc2c(O)ccc(C(=O)c3ccccc3)c2N1 27558062 QISQCKQQOPOQFJ-OAHLLOKOSA-N 311.381 3.842 10 1 DHCF CCN(CC)c1ccc(/C=C2/C(=O)Nc3ccc(N)cc32)cc1 45358862 JNHVMHWMHFDUIC-GZTJUZNOSA-N 307.397 3.608 10 1 DHCF COc1ccc(/C(C)=C2\SC(c3ccc(N)cc3)=NC2=O)cc1 84652253 MHLOBOPVOQOLGQ-WJDWOHSUSA-N 324.405 3.729 10 1 DHCF C[C@H]1[C@H](c2ccc(O)cc2)O[C@@H](c2ccc(O)c(O)c2)[C@@H]1C 95912038 HKSHEXWQPGOEAT-LWCUXCJMSA-N 300.354 3.888 10 1 DHCF biogenic,in-vitro O=C1c2ccccc2C(=O)c2c(/C=C/c3ccccc3)noc21 84704654 FREOOBMDIZKBIY-ZHACJKMWSA-N 301.301 3.620 10 1 DHCF COc1cc(/C=C/c2nc3ccc(C)c(C)c3[nH]2)cc(O)c1O 587785603 OBDPHKMCNNJXCW-FNORWQNLSA-N 310.353 3.770 10 1 DHCF CN(C)c1ccc(/C=C/C=C2\C(=O)N(C)c3ccccc32)cc1 474609973 YJAAMQCVFGGTKS-MTOANXPYSA-N 304.393 3.826 10 1 DHCF C[C@]1(c2c(O)cccc2O)c2c(F)cccc2C[C@@H]2CCCN21 963099880 IQPXWQYDKNQIOJ-ORAYPTAESA-N 313.372 3.521 10 1 DHCF CCCCCC(=O)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 13122590 JWHRRKNXOIGTOI-WUKNDPDISA-N 304.306 3.972 10 1 DHCF Oc1cc2c(c(Cl)c1O)CCNC[C@@H]2c1ccc(Cl)cc1 27181290 ZEMAAQJTJMZECU-CYBMUJFWSA-N 324.207 3.682 10 1 DHCF CON1N[C@H](c2ccccc2O)C[C@H]1c1ccc(Cl)cc1 299806012 OPVMUXCJGKXJBK-GJZGRUSLSA-N 304.777 3.600 10 1 DHCF Oc1ccc(-c2ccc(-c3cc(O)c(O)c(O)c3)s2)cc1O 203670931 MFNMURUUYQGPJF-UHFFFAOYSA-N 316.334 3.610 10 1 DHCF CC[C@@]1(c2cccc(Cl)c2O)NCCc2c(C)ccnc21 963072526 SVCHRKKXOBXXQU-KRWDZBQOSA-N 302.805 3.548 10 1 DHCF Oc1ccc2oc(Cc3ccccc3)cc2c1CN1CCOCC1 103262330 JIKNFYUPWCTCED-UHFFFAOYSA-N 323.392 3.561 10 1 DHCF Nc1ccc(Nc2cc(=O)oc3c4c(ccc23)CCCC4)cc1 84615944 YDEFIHKAJYXSPH-UHFFFAOYSA-N 306.365 3.998 10 1 DHCF CCCCCCc1ccc2c(c1O)C(=O)c1c(O)cccc1C2=O 13454748 SEMCWGFHMAHXMF-UHFFFAOYSA-N 324.376 3.996 10 1 DHCF CC1(C)[C@@H]2CC[C@]1(C)[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C2 101494299 NOYGOWYVUFENNY-CHBDYXMTSA-N 316.397 3.869 10 1 DHCF Nc1ccc(OCCCOc2ccc(-n3cccc3)cc2)cc1 473112987 GYUGGULDONXDMZ-UHFFFAOYSA-N 308.381 3.907 10 1 DHCF CS(C)=C(C(=O)CCc1ccccc1)C(=O)c1ccccc1 45498217 VVLRNKLPXWNHOZ-UHFFFAOYSA-N 312.434 3.772 10 1 DHCF CC[C@@H](C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 45351019 OZUIWXOLMHKQDE-SNVBAGLBSA-N 304.349 3.852 10 1 DHCF Cc1cc2cc(C(=O)N3CCCCC3)c(=O)oc2c2ccccc12 73164473 WEWWZHAIYCPZHL-UHFFFAOYSA-N 321.376 3.881 10 1 DHCF CC1(C)C(=O)C(=O)C[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@]1(C)O[C@@H]13 238761888 QIWFJOONKZIJEL-YUFKQLNMSA-N 316.441 3.545 10 1 DHCF O=C1c2ccsc2C(=O)c2c1ccc(Cc1ccccc1)c2O 299831722 DVDDYTZBTFAJLF-UHFFFAOYSA-N 320.369 3.820 10 1 DHCF COc1cccc2c(NCCn3ccnc3)c3ccccc3nc12 45303300 RWCFWMDDOHHOQL-UHFFFAOYSA-N 318.380 3.705 10 1 DHCF O=C1C[C@H](c2ccc(O)c(O)c2)Oc2c1ccc1c2CCCC1 587529387 BCWIRNKTJQSDOW-GOSISDBHSA-N 310.349 3.683 10 1 DHCF Cc1nc(O)c(/N=N/c2cccc(C(=O)O)c2)n1-c1ccccc1 64736827 ORUBCBWGYIJEPT-FMQUCBEESA-N 322.324 4.000 10 1 DHCF O=C(c1ccccc1)c1ccc(O)c2c1NC1(CCCC1)CO2 27557670 DMQXTDWHOHCGSV-UHFFFAOYSA-N 309.365 3.740 10 1 DHCF CO[C@]1(C)CCCc2c1ccc1c2C(=O)C(=O)c2c(C)coc2-1 70454951 UQINOKJCWAILFO-LJQANCHMSA-N 310.349 3.832 10 1 DHCF biogenic,in-vitro CCCN1Cc2ccccc2[C@H]2c3cc(O)c(O)cc3CC[C@@H]21 87723273 VNVHTKVGILYCGH-PXNSSMCTSA-N 309.409 3.770 10 1 DHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(C3=CCCC3)[nH]c21 586883525 KQTDAHXKVGOYFS-UHFFFAOYSA-N 314.344 3.906 10 1 DHCF Oc1ccc(-c2n[nH]cc2-c2ccccc2Cl)c(O)c1O 1857766302 UDYIWEVVIXVJLZ-UHFFFAOYSA-N 302.717 3.514 10 1 DHCF Oc1ccc([C@H]2CCN(c3ccnc4ccccc34)C2)cc1O 169341959 DHDSHSAOFZRHRS-AWEZNQCLSA-N 306.365 3.640 10 3 DHCF COc1cc(/C=C/c2nc3cc(C)cc(C)c3[nH]2)cc(O)c1O 587785910 PQSKWRHTRVOWLF-SNAWJCMRSA-N 310.353 3.770 10 1 DHCF O=C(CCCCc1ccccc1)c1ccc(O)c(O)c1[N+](=O)[O-] 25991167 OXTFPJHLIHCXNG-UHFFFAOYSA-N 315.325 3.602 10 1 DHCF O=C1c2ccc(Br)cc2C(=O)[C@]1(F)c1ccccc1 28758644 GFVDICSHRKOYBQ-HNNXBMFYSA-N 319.129 3.693 10 1 DHCF Oc1csc(/N=N/Cc2cc(Br)ccc2O)n1 169723069 RVNYRYCNOIAMAM-WYMLVPIESA-N 314.164 3.601 10 1 DHCF C[C-](/N=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccnc1 169693886 HKKGKJZJSSNQRO-FOCLMDBBSA-N 300.254 3.582 10 1 DHCF CC1(C)C=Cc2c(ccc3c(=O)c4ccc(O)c(O)c4oc23)O1 238788063 LNRWSTMNCVPBDX-UHFFFAOYSA-N 310.305 3.542 10 1 DHCF C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(N)cc1 13740362 UNGDXQOVOLJOEM-OREJSRFESA-N 322.452 3.699 10 1 DHCF CC(=O)CCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1 207684596 FEDCZUMZENXUPU-UHFFFAOYSA-N 309.433 3.580 10 1 DHCF in-vitro O=C1C[C@H](c2cccc(O)c2O)Oc2c1ccc1c2CCCC1 587531594 HGBRCWODVHNZLA-QGZVFWFLSA-N 310.349 3.683 10 1 DHCF O=C1NC(=S)/C(=C/c2cccc(Br)c2)S1 5756871 QTLRJJODRZUIPD-YVMONPNESA-N 300.202 3.574 10 1 DHCF COc1ccc(C2=N[C@@H](C(C)C)N[C@@H](c3ccccc3O)C2)cc1 4729360 WYKAPJFLVOOMKV-UYAOXDASSA-N 324.424 3.907 10 1 DHCF CC1(C)C(=O)C(=O)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(C1)C(=O)C[C@H]32 100823545 KYOFWFWEZCLKDW-LZBRZJJGSA-N 314.425 3.512 10 1 DHCF endogenous,in-man Oc1ccc(-c2n[nH]cc2-c2ccc(F)c(Cl)c2)c(O)c1O 1857656630 OBVOASPQYAHMEY-UHFFFAOYSA-N 320.707 3.653 10 1 DHCF