smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features [N-]=[N+]=NCCCCCCc1nc2cc(Cl)c(Cl)nc2[nH]1 587260268 PIFCNHLQEDAEPP-UHFFFAOYSA-N 313.192 4.678 10 1 DJCF NCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26845013 NOYBATCSJVAFRM-UHFFFAOYSA-N 313.404 4.633 10 1 DJCF O=C1NC(=S)/C(=C/c2cc(Cl)cc(Cl)c2Cl)S1 42921469 LYEMMPWMYSZZDD-UQCOIBPSSA-N 324.641 4.772 10 1 DJCF Cc1cc(CNCc2ccccc2)c(C)n1-c1ccc(F)cc1 653856819 GIODCIWWLQJTRC-UHFFFAOYSA-N 308.400 4.523 10 1 DJCF Clc1ccc(-c2nnc(-c3ccc(-n4cccc4)cc3)o2)cc1 103185111 TYXFKELLPCUOBJ-UHFFFAOYSA-N 321.767 4.848 10 1 DJCF CCc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)O)cc1)N2 2478183 XSXZVZNFOJWNCU-QKLQHJQFSA-N 319.404 4.774 10 1 DJCF CC(C)c1c(O)c(O)cc2c1[C@@]1(C)CCCC(C)(C)[C@H]1CC2=O 13483635 LMJBIFCLJPOYLS-QRWLVFNGSA-N 316.441 4.892 10 1 DJCF biogenic Oc1[nH]c2ccccc2c1N=Nc1ccc(C(F)(F)F)cn1 254036050 WVEQWVOAKZWPSP-UHFFFAOYSA-N 306.247 4.703 10 1 DJCF CC(C)c1c(O)c(O)cc2c1C(=O)C[C@H]1C(C)(C)CCC[C@]21C 15117831 ZFRQAKIJVKSVOT-MGPUTAFESA-N 316.441 4.892 10 1 DJCF biogenic CC(C)c1cc2c(c(O)c1O)C[C@@]13CCCC(C)(C)C1=C[C@@H]2O3 15166902 VXUXNHPMVRNGFN-YWZLYKJASA-N 314.425 4.724 10 1 DJCF CCN(CC)CCCCNc1c2ccccc2nc2ccccc12 29563724 OALXTIRPFIITPC-UHFFFAOYSA-N 321.468 4.922 10 1 DJCF in-vivo CC(C)=CCC[C@H](C)[C@H]1CC[C@@H](CO)c2c1cc(C)c(O)c2O 14696805 LWFPJVMLFNTYQP-CWRNSKLLSA-N 318.457 4.742 10 1 DJCF biogenic CC[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCC(=O)C(=O)[C@]4(C)[C@H]3CC[C@]12C 118914042 BEKNXRBHZGEANG-GSYKORLESA-N 316.485 4.803 10 1 DJCF in-vitro Nc1ccc(-n2c(-c3ccc(Cl)cc3)nc3ccccc32)cc1 1911581168 KGRXQVKFEZVJFL-UHFFFAOYSA-N 319.795 4.928 10 1 DJCF CN(C)CC/C=C1\c2ccccc2CCc2c(Cl)cccc21 5957447 CMGZPJIHOZMOKL-LICLKQGHSA-N 311.856 4.822 10 1 DJCF COc1ccc2nc3ccccc3c(NCc3ccco3)c2c1 45319653 NFKSIROXMGSOTO-UHFFFAOYSA-N 304.349 4.602 10 1 DJCF S=C1/C(=C/c2ccccc2)Oc2cc(Br)ccc21 1772655475 DCVJNKREJFVDFR-ZSOIEALJSA-N 317.207 4.601 10 1 DJCF COc1ccc2cc(/C=C/c3ccc(N(C)C)c(OC)c3)oc2c1 40952039 XUBJIZPIJGVYEF-VMPITWQZSA-N 323.392 4.686 10 1 DJCF COc1ccc(-c2cc3c(c4c2ccn4C)[C@@H]2CC[C@@H]3C2)cn1 102864094 YWMQPDWPVWONCI-CHWSQXEVSA-N 304.393 4.614 10 1 DJCF O=C(O)c1ccc(N=Nc2c(O)[nH]c3cc(Cl)ccc23)cc1 253961052 NSMSPIJRSJUKMM-UHFFFAOYSA-N 315.716 4.641 10 1 DJCF CN(C)Cc1ccc2n1-c1ccccc1S[C@@H]2c1ccccc1 13651947 FDBYIIBXPLWFTK-HXUWFJFHSA-N 320.461 4.734 10 1 DJCF O=C1C(=O)c2cc(-c3ccccc3F)ccc2-c2ccccc21 13862843 LNJBKOCRJULNLN-UHFFFAOYSA-N 302.304 4.539 10 1 DJCF CCc1sc(/N=N/[C@H](C)COc2ccccc2)nc1S 169728452 ZJGYXTHHKZIUHI-ONJZUOQNSA-N 307.444 4.545 10 1 DJCF CC(=O)N1c2ccccc2[C@H]2C=CC[C@H]2[C@H]1c1ccccc1C 1857641436 TWZCVZNYNIUSNP-YFVAEKQCSA-N 303.405 4.763 10 1 DJCF Nc1ccc(Oc2ccc3nc([C@@H]4C[C@H]5C=C[C@@H]4C5)[nH]c3c2)cc1 587966865 HMJIRFFVPUAKPB-OGHNNQOOSA-N 317.392 4.617 10 1 DJCF Cc1sc2ncnc(N=Nc3c(O)[nH]c4ccccc34)c2c1C 253961411 VVJGAJMVPRSHSR-UHFFFAOYSA-N 323.381 4.910 10 1 DJCF Cc1ccc([C@H]2Nc3c(ccc(C(=O)O)c3C)[C@H]3C=CC[C@@H]32)cc1 478733 PTVNBGNXUYSSTK-ABSDTBQOSA-N 319.404 4.828 10 1 DJCF C[C@]12CC[C@H](N=NN)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C=CC[C@H]12 2356852403 JAFZFYKKDJXTTP-CYAHPCQSSA-N 301.478 4.890 10 1 DJCF Cc1ccc2c3c(c(CCN=[N+]=[N-])cnc13)-c1ccccc1C2=O 587098618 RCHYYCRBZUSNRT-UHFFFAOYSA-N 314.348 4.607 10 1 DJCF COc1ccc(-c2ccc([C@H](C)N=O)c(O)c2Cl)cc1F 169730502 VLYKKCRMOOICBX-QMMMGPOBSA-N 309.724 4.688 10 1 DJCF Cc1nn(-c2ccccc2)c(N)c1/N=N/c1ccc(Cl)cc1 6796148 MXXIRNYHESNMPI-FMQUCBEESA-N 311.776 4.832 10 1 DJCF Cc1cccc(N=Nc2c(C)nn(-c3ccccc3)c2N)c1C 253928526 PJMWKABOWUBKAB-UHFFFAOYSA-N 305.385 4.795 10 1 DJCF Cc1cc(-n2c(C)ccc2C(C)C)nn1Cc1ccccc1F 587945347 MNIVAQYCLZZSLW-UHFFFAOYSA-N 311.404 4.601 10 1 DJCF C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3C[C@@H](N=NN)CC[C@]3(C)[C@H]1CC2 2356852404 JAFZFYKKDJXTTP-LOVVWNRFSA-N 301.478 4.890 10 1 DJCF [N-]=[N+]=NCCCCCCc1nc2c(Cl)cnc(Cl)c2[nH]1 587260702 ZIGGXKPRHGXPMQ-UHFFFAOYSA-N 313.192 4.678 10 1 DJCF Cc1cccc2c1C(=Cc1sc3ccccc3[n+]1C)C=CN2C 1857541444 MWIYQJYJVYQYCI-UHFFFAOYSA-N 319.453 4.538 10 1 DJCF CCN(CC)c1ccc(/C=C/c2ccc3ccccc3n2)c(O)c1 1772594183 MMODGRRBRUIVOP-JLHYYAGUSA-N 318.420 4.957 10 1 DJCF O=C(/N=N/C1=C(O)c2cccc3cccc1c23)c1ccc(O)cc1 101497162 PKZMVMBJLHLJTG-QZQOTICOSA-N 316.316 4.535 10 1 DJCF CC(C)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 28754679 SRQIBPBMNBFKND-UHFFFAOYSA-N 309.369 4.754 10 1 DJCF CCCN1[C@H](C)Cc2ccccc2[C@]1(CN=[N+]=[N-])c1ccccc1 963241696 NIAUFCRVFMZGQX-UZLBHIALSA-N 320.440 4.897 10 1 DJCF Cc1c2cccc3c2c(c2ccc4c(O)c(O)ccc4c12)CC3 29328074 GMGOZSFOYQZPFZ-UHFFFAOYSA-N 300.357 4.964 10 1 DJCF CCCCN1C=CC=CC1=Cc1sc2ccccc2[n+]1CC 4301872 RBFSIIZMNMFBME-UHFFFAOYSA-N 311.474 4.735 10 1 DJCF CCCCn1c(O)c(N=NC(=O)c2ccco2)c2ccccc21 253928498 LZVDUKXOLDUJDB-UHFFFAOYSA-N 311.341 4.664 10 1 DJCF c1ccc(-c2nc([C@@H]3CCCCO3)[nH]c2-c2ccccc2)cc1 13755443 PQUPCWQOHLQDSH-KRWDZBQOSA-N 304.393 4.985 10 1 DJCF CC[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCC(=O)C(=O)[C@]4(C)[C@H]3CC[C@]12C 118914040 BEKNXRBHZGEANG-NAHVNDSFSA-N 316.485 4.803 10 1 DJCF in-vitro Oc1ccc(-c2ccc3c(c2)CCC=C3c2ccncc2)cc1O 40976792 CLHXFMXKUDGILL-UHFFFAOYSA-N 315.372 4.538 10 1 DJCF CC1(Oc2ccc(N3CCCC3)cc2)C2CC3CC(C2)CC1C3 169335183 VTIPYVWQQUDEES-UHFFFAOYSA-N 311.469 4.880 10 1 DJCF CC(C)c1sc(/N=N/[C@@H](C)COc2ccccc2)nc1O 169728449 IZCMMUQCFNWAEC-SHYALIGYSA-N 305.403 4.523 10 1 DJCF Oc1ccc(CCNc2c3ccccc3nc3ccccc23)cc1 137869558 IAPQBQRCZSBBLP-UHFFFAOYSA-N 314.388 4.748 10 1 DJCF CCN(CC)CC[C@H](C)Nc1c2ccccc2nc2ccccc12 29561576 RTYLLNIEKXEUOZ-INIZCTEOSA-N 321.468 4.920 10 1 DJCF COc1ccc2c(Nc3ccc(N)cc3)c3ccccc3nc2c1 26939658 IPLTVPCEKRQGGM-UHFFFAOYSA-N 315.376 4.722 10 1 DJCF CC[N+](C)(C)c1ccc(/C=C/c2ccc3ccccc3n2)cc1 36381184 RPYJBQFWBWCOBF-UKTHLTGXSA-N 303.429 4.992 10 1 DJCF CC[C@@H](/N=N/c1ccccc1)c1cnnc(-c2ccccc2)n1 169688356 LCFKSIUTTZYKQR-VNRULFPQSA-N 303.369 4.774 10 1 DJCF CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H](CO)c2c1cc(C)c(O)c2O 14696801 LWFPJVMLFNTYQP-BPUTZDHNSA-N 318.457 4.742 10 1 DJCF biogenic O=C1NC(=S)/C(=C/c2ccc(-c3ccccc3)s2)S1 95556496 KKMBBTIZENIADR-WQLSENKSSA-N 303.433 4.540 10 1 DJCF [N-]=[N+]=NCCCCCCc1nc2cccc(C(F)(F)F)c2[nH]1 587259306 CFLRLLNYLRSULM-UHFFFAOYSA-N 311.311 4.995 10 1 DJCF CC(C)Oc1ccc2nc(CCCCCCN=[N+]=[N-])[nH]c2c1 587260323 RFXIVHAFHWLUCC-UHFFFAOYSA-N 301.394 4.763 10 1 DJCF CC1=CC(C)(C)n2c(O)c(/N=N/C(=N)S)c3c(C)ccc1c32 101702920 VFGNCQWEYISYNG-VHEBQXMUSA-N 314.414 4.756 10 1 DJCF CC[C@@]1(C)C[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586889105 LAGHVEODGZVUGK-KXBFYZLASA-N 307.397 4.841 10 1 DJCF Fc1ccc(-c2csc(/N=N/Cc3ccco3)n2)c(F)c1 169728124 CJXRUIAFMGAFMF-HTXNQAPBSA-N 305.309 4.965 10 1 DJCF CCN1C(C)=C(C)S/C1=C\c1ccc2cc(C)ccc2[n+]1C 5123922 RYSFFZHDVWYDQG-UHFFFAOYSA-N 311.474 4.591 10 1 DJCF CC(C)c1cc2c(c(O)c1O)C(=O)[C@@H]1CCCC(C)(C)[C@H]1CC2 13328438 WIEOUDNBMYRSRD-HIFRSBDPSA-N 316.441 4.793 10 1 DJCF endogenous,in-man CC(C)(C)c1ccc2nc(CCCCCCN=[N+]=[N-])[nH]c2n1 587260288 QCSBYPVTAXZFIT-UHFFFAOYSA-N 300.410 4.669 10 1 DJCF CCCCC(=O)N[C@H](c1ccco1)c1c(O)ccc2ccccc12 2921289 POOWNGNRDKDSLB-HXUWFJFHSA-N 323.392 4.534 10 3 DJCF c1csc(C/N=N/c2ncnc3sc4c(c23)CCC4)c1 169689451 MKYPHYAKUBLXLU-ISLYRVAYSA-N 300.412 4.525 10 1 DJCF Cc1cc(C)c2[nH]c(O)c(N=Nc3ccc([N+](=O)[O-])cc3)c2c1 617960035 XYJJLVMPLNGMSC-UHFFFAOYSA-N 310.313 4.814 10 1 DJCF CC(C)c1c(O)c(O)cc2c1C(=O)C[C@@H]1C(C)(C)CCC[C@]21C 15117829 ZFRQAKIJVKSVOT-FOIQADDNSA-N 316.441 4.892 10 1 DJCF biogenic Cc1ccc2c(c1)c(/N=N/c1ccc([N+](=O)[O-])cc1)c(O)n2C 101773922 HUIPOOCZSULAKZ-ISLYRVAYSA-N 310.313 4.516 10 1 DJCF CC(C)c1c(O)c(O)cc2c1C(=O)C[C@H]1C(C)(C)CCC[C@@]21C 15117835 ZFRQAKIJVKSVOT-YWZLYKJASA-N 316.441 4.892 10 1 DJCF biogenic Cc1ccc(C2=NC(=O)/C(=C/c3c[nH]c4ccccc34)S2)cc1 299833374 KSDKHWQGRAPYGV-YVLHZVERSA-N 318.401 4.537 10 1 DJCF Cc1ccc(NC(=S)N=Nc2c(O)[nH]c3ccccc23)cc1 253987368 RBMZNGCBFOXSBC-UHFFFAOYSA-N 310.382 4.663 10 1 DJCF c1ccc2c(NCCCN3CCCCC3)c3ccccc3nc2c1 13472658 NXTOUTQSWQTEPN-UHFFFAOYSA-N 319.452 4.676 10 1 DJCF Oc1cccc(O)c1Nc1c2ccccc2nc2ccccc12 26843760 PDRKAPNNLQRLDN-UHFFFAOYSA-N 302.333 4.543 10 1 DJCF CCOc1ccc(-n2c(C)nc(O)c2/N=N\c2ccccc2)cc1 102372642 ROFRXCLSWKEWTN-MRCUWXFGSA-N 322.368 4.700 10 1 DJCF [N-]=[N+]=NCCCCCCc1nc2c(Cl)c(Cl)cnc2[nH]1 587260714 ZOZOADMIUZCGAZ-UHFFFAOYSA-N 313.192 4.678 10 1 DJCF CC(C)c1cc2c(c(O)c1O)[C@]1(C)CCCC(C)(C)[C@@H]1C[C@@H]2O 13302639 XBFPSGWGBRXCFV-AUSJPIAWSA-N 318.457 4.742 10 1 DJCF biogenic O=C(/N=N/c1c(F)c(F)c(F)c(F)c1F)Nc1ccccc1 103259004 YWRWYEOQURICLZ-QZQOTICOSA-N 315.201 4.698 10 1 DJCF Cc1ccc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 39207453 VFJPKHIQEBNDMV-UHFFFAOYSA-N 306.796 4.790 10 1 DJCF CN(C)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 587922730 YIMMOXOLCLTERL-UHFFFAOYSA-N 316.376 4.821 10 1 DJCF CC(C)N(C)Cc1cc(-c2nc3ccccc3s2)ccc1O 19148444 KFYKHSVELCCNII-UHFFFAOYSA-N 312.438 4.509 10 1 DJCF CC(C)c1cc2c(c(O)c1O)C(=O)[C@@H]1CCCC(C)(C)[C@@H]1CC2 13328434 WIEOUDNBMYRSRD-UKRRQHHQSA-N 316.441 4.793 10 1 DJCF endogenous,in-man CN(CCF)c1ccc(/C=C\c2nc3ccccc3s2)cc1 82151639 XYSMQCKPUBDDNV-FLIBITNWSA-N 312.413 4.872 10 1 DJCF Cc1cc(C)c2[nH]c(O)c(/N=N/c3ccc(C(=O)O)cc3)c2c1 101876787 YNZLLZWHERPJFA-FMQUCBEESA-N 309.325 4.604 10 1 DJCF CCCCn1c(O)c(/N=N/C(=O)c2ccco2)c2ccccc21 101559175 LZVDUKXOLDUJDB-VHEBQXMUSA-N 311.341 4.664 10 1 DJCF [N-]=[N+]=NCCCCCCc1nc2cc(Cl)nc(Cl)c2[nH]1 587260661 YMLZWTKQQRARBN-UHFFFAOYSA-N 313.192 4.678 10 1 DJCF CC(=O)Nc1ccc(C/N=N/c2nc3ccccc3s2)cc1 169687948 YHPDSGONSNFBIC-LVZFUZTISA-N 310.382 4.539 10 1 DJCF Cc1cccc(/N=N\c2c(C)nn(-c3ccccc3)c2N)c1C 96900740 PJMWKABOWUBKAB-MRCUWXFGSA-N 305.385 4.795 10 1 DJCF CN(C)c1ccc(OCCCCCCOc2ccccc2)cc1 45168630 XTKISIXKGWONBZ-UHFFFAOYSA-N 313.441 4.771 10 1 DJCF Cc1cc(CNC2CCCCC2)c(C)n1-c1ccccc1F 1911582293 VRIJRVUZEWDXNO-UHFFFAOYSA-N 300.421 4.656 10 1 DJCF COc1ccc(-c2cc3c(c4c2ccn4C)[C@H]2CC[C@@H]3C2)cn1 72138619 YWMQPDWPVWONCI-OLZOCXBDSA-N 304.393 4.614 10 1 DJCF CCc1sc(/N=N/[C@@H](C)COc2ccccc2)nc1S 169728451 ZJGYXTHHKZIUHI-VXFCLOCWSA-N 307.444 4.545 10 1 DJCF CC(C)NCCC[C@@H](C)Nc1c2ccccc2nc2ccccc12 29555635 MZOLNSCLJIQFDV-MRXNPFEDSA-N 321.468 4.967 10 1 DJCF O=C(/N=N/C1=C(O)c2cccc3cccc1c23)c1cccc(O)c1 101498299 PVGVBMADBWZECV-QZQOTICOSA-N 316.316 4.535 10 1 DJCF CC(C)c1c(O)c(O)cc2c1[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O 13483633 LMJBIFCLJPOYLS-YWZLYKJASA-N 316.441 4.892 10 1 DJCF biogenic C=C/[N+]([O-])=N/CCCCCCCC(=O)CCc1ccccc1 1857573734 JCTLWFKZLVZFOW-VXPUYCOJSA-N 302.418 4.635 10 1 DJCF CCOC(=O)c1cc2n(c1C)-c1ccccc1-c1ccccc1-2 196712790 ZMZNDLDILCMCSH-UHFFFAOYSA-N 303.361 4.610 10 1 DJCF CN(C)c1ccc(/C=C/c2ccc3cc(N(C)C)ccc3n2)cc1 36381127 HHQHGFYAUWBJTH-WEVVVXLNSA-N 317.436 4.537 10 1 DJCF O=C(O)c1cc(/N=N/C=C/Cc2ccccc2)ccc1Cl 169688507 UYZJCOCRKCXRHG-YFXQHFLOSA-N 300.745 4.878 10 1 DJCF Oc1ccc(C/N=N/c2ccnc3cc(Cl)ccc23)c(O)c1 169688598 YPXPUSLAZJGQHK-FMQUCBEESA-N 313.744 4.583 10 1 DJCF CCCCCn1c(C)ccc1C=C1N=CC(n2cccc2)=C1OC 2356477644 CIBWPFGBXKKUDA-UHFFFAOYSA-N 323.440 4.729 10 1 DJCF CN(C)CCCNc1ccc(/N=N/c2cc(F)ccc2F)cc1 45298842 ZSEUKUOIYWTFKD-QURGRASLSA-N 318.371 4.744 10 1 DJCF CN(C)c1ccc(/N=N\c2ccccc2Br)cc1 18168915 GRUMPROWLYTPSY-MSUUIHNZSA-N 304.191 4.931 10 1 DJCF [N-]=[N+]=NCCCCCCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587260264 PDGFZRHLTPEAKQ-UHFFFAOYSA-N 322.756 4.538 10 1 DJCF c1ccc(-c2n[n+]3ccccc3c3ccc4ccccc4c23)cc1 13559572 LHYTWAWTWCJCEN-UHFFFAOYSA-N 307.376 4.794 10 1 DJCF CC1=CC(C)(C)n2c(O)c(N=NC(=N)S)c3cc(C)cc1c32 299872455 YLYYQECETGLXLP-UHFFFAOYSA-N 314.414 4.756 10 1 DJCF aggregator Cc1ccc([C@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@H]23)c(C)c1 49035462 AHKUREVOSVZKAB-FUHIMQAGSA-N 319.404 4.828 10 1 DJCF Cc1nn(-c2ccccc2)c(N)c1/N=N\c1ccc(Cl)cc1 102713416 MXXIRNYHESNMPI-VXPUYCOJSA-N 311.776 4.832 10 1 DJCF Cc1n[nH]c(C)c1/N=N/c1ccc(-c2nc3ccccc3[nH]2)cc1 1772642630 LHSSAZGEFYDSFN-WCWDXBQESA-N 316.368 4.985 10 1 DJCF O=Cc1ccccc1C/N=N/c1nc(-c2ccccc2)cs1 169728278 SFIBUTQUJKIITB-CZIZESTLSA-N 307.378 4.907 10 1 DJCF COc1cccc(-c2ccc(NCc3ccccc3O)cc2)c1 473083082 MJTBCQJOMZDGFJ-UHFFFAOYSA-N 305.377 4.680 10 1 DJCF COc1ccc(N(C)CCCOc2ccc3ccccc3c2)cc1 29132266 CLXOYFWUUNFGCZ-UHFFFAOYSA-N 321.420 4.754 10 1 DJCF CC(C)c1c(O)c(O)cc2c1C(=O)C[C@@H]1C(C)(C)CCC[C@@]21C 15117833 ZFRQAKIJVKSVOT-QRWLVFNGSA-N 316.441 4.892 10 1 DJCF biogenic Cc1ccc([C@H](c2ccccc2O)N2CCc3ccccc32)cc1 1772602089 CDEJNSVTZCDFNK-JOCHJYFZSA-N 315.416 4.853 10 1 DJCF O=C(O)c1cc(/N=N/Cc2c[nH]c3ccccc23)ccc1Cl 169688322 ARUBDOVXSPVXCY-FMQUCBEESA-N 313.744 4.803 10 1 DJCF CCOC(=O)/N=N\c1c(O)n(Cc2ccccc2)c2ccccc12 13544024 ARZPOSGSZYWULA-VXPUYCOJSA-N 323.352 4.635 10 1 DJCF CC(=O)c1ccc(-c2ccc(NCc3ccccc3O)cc2)cc1 473082816 LKAKCIUHNQDKAR-UHFFFAOYSA-N 317.388 4.874 10 1 DJCF COc1ccc2oc(/C=C/c3ccc(N(C)C)c(OC)c3)cc2c1 40424101 QQQCTWMQWZDFOG-FNORWQNLSA-N 323.392 4.686 10 1 DJCF Cc1oc(C(=O)O)cc1COc1cccc(-c2ccccc2)c1 169343478 CPGKLQGURLZCPO-UHFFFAOYSA-N 308.333 4.532 10 1 DJCF CCN(c1ccccn1)c1cc(-c2c(C)noc2C)ccc1C 1857600562 OPZRFIFVMBZUTM-UHFFFAOYSA-N 307.397 4.820 10 1 DJCF [N-]=[N+]=NCCCCCCc1nc2ccc(Br)cc2[nH]1 587259291 BUXANZZLLZZZIG-UHFFFAOYSA-N 322.210 4.739 10 1 DJCF Cc1cc(C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccccc1 1772627257 YZQXPJFHKGVZHE-INIZCTEOSA-N 318.420 4.585 10 1 DJCF Cc1ccc2c(c1)N(C)C=CC2=Cc1sc2ccccc2[n+]1C 1857569599 WAQSZQNTORHGTH-UHFFFAOYSA-N 319.453 4.538 10 1 DJCF COc1cc(Nc2c3ccccc3nc3ccccc23)ccc1N 26849983 NNNDDLZXQMNXLO-UHFFFAOYSA-N 315.376 4.722 10 1 DJCF Cc1ccc(-c2ccc(-n3c(C)ccc3C)cc2C(=O)O)cc1 45393840 NNDKXTNEBORLFJ-UHFFFAOYSA-N 305.377 4.768 10 1 DJCF Cc1cccc(/N=N/c2c(C)nn(-c3ccccc3)c2N)c1C 96900741 PJMWKABOWUBKAB-QZQOTICOSA-N 305.385 4.795 10 1 DJCF CN(C)CCCNc1ccc(/N=N/c2c(F)cccc2F)cc1 45284429 AOWSXBMELKBWEQ-QURGRASLSA-N 318.371 4.744 10 1 DJCF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(O)c(O)c3)c(NC)c2c1 587641905 ILOYPQCZOVWDDT-LLVKDONJSA-N 310.397 4.801 10 1 DJCF Cc1ccc([C@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@@H]23)cc1 16424954 VSRZDWAATYOPFA-GPMSIDNRSA-N 305.377 4.520 10 1 DJCF Oc1ccc2ccccc2c1[C@H](c1cccs1)N1CCCC1 711954 CUBCLFFAHGDDBU-IBGZPJMESA-N 309.434 4.792 10 1 DJCF CCc1ccc(CC)n1-c1cc(F)c(Br)cc1F 587943971 TWIWFPKZNCYAPM-UHFFFAOYSA-N 314.173 4.643 10 1 DJCF CC[n+]1c(/C=C/c2ccc(N(C)C)cc2)sc2ccc(C)cc21 5128441 MRGAUFHSXIXOIK-UHFFFAOYSA-N 323.485 4.754 10 1 DJCF O=C1c2ccccc2-c2nnc(-c3ccc4ccccc4c3)cc21 13743549 XPRGNEBEKZELTC-UHFFFAOYSA-N 308.340 4.508 10 1 DJCF CCCCn1c(O)c(/N=N\C(=O)c2ccco2)c2ccccc21 13842989 LZVDUKXOLDUJDB-HNENSFHCSA-N 311.341 4.664 10 1 DJCF CC(C)c1sc(/N=N/[C@H](C)COc2ccccc2)nc1O 169728450 IZCMMUQCFNWAEC-IEBXDZTQSA-N 305.403 4.523 10 1 DJCF COc1ccc(-c2cc3c(c4c2ccn4C)[C@H]2CC[C@H]3C2)cn1 102864098 YWMQPDWPVWONCI-STQMWFEESA-N 304.393 4.614 10 3 DJCF CCc1cc2c(N=Nc3c(O)[nH]c4ccccc34)ncnc2s1 253996301 XSUZDTDXCBFOBM-UHFFFAOYSA-N 323.381 4.856 10 1 DJCF Oc1ccccc1[C@@H](c1ccccc1)N1CCc2ccccc21 1772645228 IEHJMRHTNKIEQE-OAQYLSRUSA-N 301.389 4.544 10 1 DJCF Cc1sc2ncnc(/N=N\c3c(O)[nH]c4ccccc34)c2c1C 13124214 VVJGAJMVPRSHSR-MRCUWXFGSA-N 323.381 4.910 10 1 DJCF COc1ccc2[nH]c(C(=O)O)c(/N=N/c3ccc(C)cc3)c2c1 1857566492 BWWDWEOGDFZPGD-FMQUCBEESA-N 309.325 4.599 10 1 DJCF COc1ccc2nc(C)cc(/N=N/Cc3ccc(F)cc3)c2c1 169688731 NDBCVNCPYASAJY-LSDHQDQOSA-N 309.344 4.975 10 1 DJCF CC[C@H](/N=N/c1ccccc1)c1cnnc(-c2ccccc2)n1 169688357 LCFKSIUTTZYKQR-YWBAYFEHSA-N 303.369 4.774 10 1 DJCF CCc1cc2c(/N=N/c3c(O)[nH]c4ccccc34)ncnc2s1 13125743 XSUZDTDXCBFOBM-QZQOTICOSA-N 323.381 4.856 10 1 DJCF Oc1[nH]c2ccccc2c1/N=N\c1ccc(C(F)(F)F)cn1 13482121 WVEQWVOAKZWPSP-MRCUWXFGSA-N 306.247 4.703 10 1 DJCF O=C(N=NC1=C(O)c2cccc3cccc1c23)c1cccc(O)c1 299813160 PVGVBMADBWZECV-UHFFFAOYSA-N 316.316 4.535 10 1 DJCF CCNCCCCCCNc1c2ccccc2nc2ccccc12 5852963 SECPYEHGAVGHPI-UHFFFAOYSA-N 321.468 4.970 10 1 DJCF Cc1ccc(-n2cc(CN=[N+]=[N-])c(-c3ccccc3)n2)cc1C 1857754831 CUPGMLSYRSSOAX-UHFFFAOYSA-N 303.369 4.966 10 1 DJCF CC(C)c1cc2c(c(O)c1O)C[C@]13CCCC(C)(C)[C@@H]1C[C@H]2O3 34875045 FTWYPGDUWLQFCC-GQIGUUNPSA-N 316.441 4.804 10 1 DJCF CCCCCn1c(C)ccc1/C=C1/N=CC(n2cccc2)=C1OC 14589828 CIBWPFGBXKKUDA-NBVRZTHBSA-N 323.440 4.729 10 1 DJCF C[C@@H]1CC(C)(C)n2c(O)c(/N=N/C(=N)S)c3cccc1c32 101755801 LHIMHWGGFSPKNN-MJABNSBKSA-N 302.403 4.537 10 1 DJCF CCN(CC)c1ccc(/C=C/c2ccc3ccccc3[n+]2C)cc1 100681160 VJWLNNQRIDSKDX-UHFFFAOYSA-N 317.456 4.681 10 1 DJCF Cc1ccc(N=Nc2c(C)[nH]n(-c3ccccc3)c2=O)c(C)c1 299849711 RDMWLMHWWUHBKW-UHFFFAOYSA-N 306.369 4.506 10 1 DJCF CCc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587922063 ISQVEUNMWBJBCB-UHFFFAOYSA-N 300.402 4.919 10 1 DJCF Cc1cc(C2=NN(c3ccccc3)[C@@H](c3ccco3)C2)ccc1O 103283074 BZQAGMFANWMRRV-GOSISDBHSA-N 318.376 4.649 10 1 DJCF [N-]=[N+]=NCCCCCCc1nc2cccc(Br)c2[nH]1 587260270 PLEDBYXIALNVGK-UHFFFAOYSA-N 322.210 4.739 10 1 DJCF CN(C)CCC=C1c2ccccc2CCc2c(Cl)cccc21 1857622059 CMGZPJIHOZMOKL-UHFFFAOYSA-N 311.856 4.822 10 1 DJCF O=C(O)c1ccc(/N=N\c2c(O)[nH]c3cc(Cl)ccc23)cc1 102543743 NSMSPIJRSJUKMM-HNENSFHCSA-N 315.716 4.641 10 1 DJCF O=C(O)c1cccc2c(-c3ccncc3)c(-c3ccccc3)[nH]c12 587639303 QXERAYCVMAUQON-UHFFFAOYSA-N 314.344 4.595 10 1 DJCF CC1(C)CCOc2ccc(/N=N/c3ccc(C(=O)O)cc3)cc21 40465507 IXDMRCQDZUOVOB-FMQUCBEESA-N 310.353 4.860 10 1 DJCF Cc1cccc(C)c1NC(=O)/N=N/c1c(O)[nH]c2ccccc12 28527010 JBVLWEBXQXZNBY-QZQOTICOSA-N 308.341 4.806 10 1 DJCF CCN(CC)CC[C@@H](C)Nc1c2ccccc2nc2ccccc12 29561573 RTYLLNIEKXEUOZ-MRXNPFEDSA-N 321.468 4.920 10 1 DJCF Cc1ccc([C@@H](c2ccccc2O)N2CCc3ccccc32)cc1 1772602093 CDEJNSVTZCDFNK-QFIPXVFZSA-N 315.416 4.853 10 1 DJCF CCCCSC1=N/C(=C\c2ccc(N(C)C)cc2)C(Cl)=N1 5582899 UBJZMMCAZLSXCY-KAMYIIQDSA-N 321.877 4.634 10 1 DJCF Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1cccc(Cl)c1 299849719 RVSHIHOCHANTEL-UHFFFAOYSA-N 312.760 4.543 10 1 DJCF Oc1ccc2cc(-c3ccc(C(F)(F)F)cc3)ccc2c1O 53294999 MXEXLFNABXAKHP-UHFFFAOYSA-N 304.267 4.937 10 1 DJCF Cc1ccc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2 34588297 VAJUOPFCBMPOFV-UHFFFAOYSA-N 324.786 4.929 10 1 DJCF c1ccc(-c2nc([C@H]3CCCCO3)[nH]c2-c2ccccc2)cc1 13755444 PQUPCWQOHLQDSH-QGZVFWFLSA-N 304.393 4.985 10 1 DJCF CN(C)C/C=C1/c2ccccc2Sc2ccc(Cl)cc21 29486547 CPXXVOZJQNCOMZ-LCYFTJDESA-N 301.842 4.798 10 1 DJCF Cc1cc(C)c2[nH]c(O)c(/N=N/c3ccc([N+](=O)[O-])cc3)c2c1 103960176 XYJJLVMPLNGMSC-VHEBQXMUSA-N 310.313 4.814 10 1 DJCF CN(C/C=C/c1ccccc1)Cc1c(O)ccc2ccccc12 28241986 FMLDILSAHPRMEB-JXMROGBWSA-N 303.405 4.691 10 1 DJCF CCCC(CCC)(c1ccc(O)cc1)c1ccc(O)c(O)c1 1772627569 YDHDJISHFXAPMO-UHFFFAOYSA-N 300.398 4.690 10 1 DJCF CC(C)c1cc2c(c(O)c1O)C(=O)[C@H]1CCCC(C)(C)[C@H]1CC2 13328440 WIEOUDNBMYRSRD-ZFWWWQNUSA-N 316.441 4.793 10 1 DJCF endogenous,in-man Cc1ccc(Nc2c3ccc(N)cc3nc3cc(N)ccc23)cc1 29306148 QTVFNPDYMLFHQE-UHFFFAOYSA-N 314.392 4.604 10 1 DJCF CC(C)n1c(O)c(/N=N/c2ccc(Cl)nn2)c2ccccc21 101563395 NIRUMBOUYOLGSH-FMQUCBEESA-N 315.764 4.787 10 1 DJCF OCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26941036 BXEQBHKOIZUBEK-UHFFFAOYSA-N 314.388 4.666 10 1 DJCF Cc1cc(/N=N/Cc2ccccc2)nc(NCc2ccccc2)n1 169693938 OHYYCVLVPSXREP-DARPEHSRSA-N 317.396 4.681 10 1 DJCF Fc1cc(OC23CC4CC(CC(C4)C2)C3)ccc1N1CCCC1 39239935 QPQKXOZZUYXXGE-UHFFFAOYSA-N 315.432 4.774 10 1 DJCF c1ccc(N/N=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)nc1 5939796 SOSOOSUKEWICIL-UHFFFAOYSA-N 314.352 4.736 10 1 DJCF Cc1ccc(C(C)C)n1-c1cc(F)c(Br)cc1F 587944044 XNQJOMMBZAYTQV-UHFFFAOYSA-N 314.173 4.950 10 1 DJCF CC1(C)CC[C@@H]2c3ccc(O)c(O)c3C[C@]3(C)CCC[C@@H]1[C@H]23 1857581296 HPLJRRNFRFRXLS-HMPASCQOSA-N 300.442 4.980 10 1 DJCF Cc1ccc(-c2coc3c2C(=O)C(=O)c2cc(C)cc(C)c2-3)cc1 45319944 AVCCEMNFKIJJJJ-UHFFFAOYSA-N 316.356 4.918 10 1 DJCF Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Cl)cc1 299849263 DGXYYUSACCRKEU-UHFFFAOYSA-N 312.760 4.543 10 1 DJCF O=C(C(=O)c1coc2ccc(Cl)cc12)c1c[nH]c2ccccc12 587275947 IGRCZIPJXBMYGS-UHFFFAOYSA-N 323.735 4.633 10 1 DJCF CC(C)c1c(O)c(O)c2c(c1C=O)C=C1C(C)(C)CCC[C@@]12C 13451924 MLZIUWDMOAACSJ-FQEVSTJZSA-N 314.425 4.899 10 1 DJCF biogenic,in-vitro O=[N+]([O-])c1ccc(-n2c(-c3ccccc3)cc3c2CCC3)cc1 1772648965 DUEOTWQWKCVURZ-UHFFFAOYSA-N 304.349 4.541 10 1 DJCF COc1ccc(-c2ccc(C)n2-c2ccc(C(C)=O)cc2)cc1 29393572 SGBMDUKPELTCTI-UHFFFAOYSA-N 305.377 4.664 10 1 DJCF Cc1ccc(NC(=S)/N=N\c2c(O)[nH]c3ccccc23)cc1 18285256 RBMZNGCBFOXSBC-VXPUYCOJSA-N 310.382 4.663 10 1 DJCF Oc1nc(/N=N/Cc2ccc(F)cc2)sc1-c1ccccc1 169693301 UYVHWIJVLYPGSW-CZIZESTLSA-N 313.357 4.939 10 1 DJCF CCCC[C@@H]1Cc2cc(O)ccc2-c2cc3cc(O)c(O)cc3n21 13606402 KQDXFIBOPCFOPN-CQSZACIVSA-N 323.392 4.713 10 1 DJCF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CN=[N+]=[N-])c1ccccc1 963241694 NIAUFCRVFMZGQX-OXQOHEQNSA-N 320.440 4.897 10 1 DJCF Cc1ccc([C@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@@H]32)cc1 1461843 VSRZDWAATYOPFA-TXPKVOOTSA-N 305.377 4.520 10 1 DJCF CCCC[C@H]1Cc2cc(O)ccc2-c2cc3cc(O)c(O)cc3n21 13606404 KQDXFIBOPCFOPN-AWEZNQCLSA-N 323.392 4.713 10 1 DJCF Oc1ccc(CCCCc2ccc(Cl)c(Cl)c2)cc1O 28896202 HJJVLFKSMNKGPW-UHFFFAOYSA-N 311.208 4.970 10 1 DJCF [N-]=[N+]=NCCCCCCc1nc2ccc(C(F)(F)F)cc2[nH]1 587260612 WCKDQGYCTAXHFF-UHFFFAOYSA-N 311.311 4.995 10 1 DJCF O=C(O)c1cccc(-n2c(-c3ccccc3)cc3c2CCCC3)c1 39194349 UKBQGDXFASMLHR-UHFFFAOYSA-N 317.388 4.721 10 1 DJCF Oc1ccc(-c2ccccc2)cc1CNCCc1ccc(F)cc1 45367906 KDIKUYUQBKRQIC-UHFFFAOYSA-N 321.395 4.531 10 1 DJCF O=C(O)c1ccc(C/N=N/c2cccc(C(F)(F)F)c2)cc1 169693285 GGFRZKCFVGYCBX-FMQUCBEESA-N 308.259 4.688 10 1 DJCF Cc1cc(C)c2c(c1)C(=O)C(=O)c1c(-c3ccc(F)cc3)coc1-2 45286497 ISKLBTUGUSMATE-UHFFFAOYSA-N 320.319 4.749 10 1 DJCF Cc1c(C/N=N/c2nc3ccccc3[nH]2)c2ccccc2n1C 169691105 KHPSJVBYXYSYLY-ZBJSNUHESA-N 303.369 4.647 10 1 DJCF Fc1cc(N2CCCC2)ccc1OC12CC3CC(CC(C3)C1)C2 39239934 JYTUPRBXCNLVSV-UHFFFAOYSA-N 315.432 4.774 10 1 DJCF Cc1cc(C)c2[nH]c(O)c(/N=N\c3ccc(C(=O)O)cc3)c2c1 13120079 YNZLLZWHERPJFA-VXPUYCOJSA-N 309.325 4.604 10 1 DJCF CN(CCF)c1ccc(/C=C/c2nc3ccccc3s2)cc1 82152663 XYSMQCKPUBDDNV-DHZHZOJOSA-N 312.413 4.872 10 1 DJCF O=C(O)c1cccc2c(-c3ccccc3)c(-c3ccccn3)[nH]c12 587639320 RIWITSBJGOINND-UHFFFAOYSA-N 314.344 4.595 10 1 DJCF CCCCNc1nc2c(c3ccccc13)C(=O)c1ccccc1-2 66079464 ZIHZVINYBHWPJY-UHFFFAOYSA-N 302.377 4.658 10 1 DJCF c1ccc2c(c1)Oc1ccccc1N2CCCN1CCCCC1 8405 VIOXGDDWUXTAJH-UHFFFAOYSA-N 308.425 4.806 10 1 DJCF Oc1ccc2cc(-c3cccc(C(F)(F)F)c3)ccc2c1O 53294996 CBPOFFRNURXZFR-UHFFFAOYSA-N 304.267 4.937 10 1 DJCF C/C(=C1\C(=O)Nc2ccccc21)c1ccc(N2CCCCC2)cc1 13780176 DNHCCOIAADOQFR-HMMYKYKNSA-N 318.420 4.560 10 1 DJCF CC[N+](C)(C)c1ccc(/C=C/c2ccnc3ccccc23)cc1 36381183 NAVZZYNBHAEOCB-FMIVXFBMSA-N 303.429 4.992 10 1 DJCF CC[C@]1(C)C[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586889104 LAGHVEODGZVUGK-HNAYVOBHSA-N 307.397 4.841 10 1 DJCF Cc1ccc(CCCc2ccc(CN3CCCCC3)c(O)c2)cc1 473097059 CTMWCBWYLMQUDC-UHFFFAOYSA-N 323.480 4.862 10 1 DJCF CCCCOC(=O)c1c(O)csc1Nc1ccc(C)c(C)c1 169730423 LTJURBRXHXTRTG-UHFFFAOYSA-N 319.426 4.771 10 1 DJCF CCOC(=O)/N=N/c1c(O)n(Cc2ccccc2)c2ccccc12 101860996 ARZPOSGSZYWULA-FMQUCBEESA-N 323.352 4.635 10 1 DJCF Cc1ccc(/N=N/NCCCCN/N=N/c2ccc(C)cc2)cc1 6487163 UNWWRHHZUPRHQS-UHFFFAOYSA-N 324.432 4.960 10 1 DJCF CCc1cc2c(/N=N\c3c(O)[nH]c4ccccc34)ncnc2s1 102774660 XSUZDTDXCBFOBM-MRCUWXFGSA-N 323.381 4.856 10 1 DJCF Fc1ccc(-c2csc(/N=N/Cc3ccncc3)n2)c(F)c1 169728169 LCTQZPHDJLLSDF-XUTLUUPISA-N 316.336 4.767 10 1 DJCF COc1ccccc1-c1ccc(NCc2ccccc2O)cc1 473083695 PHCAMXGRGFMFAC-UHFFFAOYSA-N 305.377 4.680 10 1 DJCF Cc1cc(/N=N/Cc2ccc3c(c2)OCO3)nc2ccccc12 169691665 BPXPAHUBMBJDIK-XUTLUUPISA-N 305.337 4.556 10 1 DJCF COc1ccc(-c2ccc([C@@H](C)N=O)c(O)c2Cl)cc1F 169730501 VLYKKCRMOOICBX-MRVPVSSYSA-N 309.724 4.688 10 1 DJCF CCN(CC)c1ccc(Cc2ccc(N(C)C)c(Cl)c2)cc1 2042715 LKHVVRCPEAMHFX-UHFFFAOYSA-N 316.876 4.843 10 1 DJCF C[C@H]1CC(C)(C)n2c(O)c(/N=N/C(=N)S)c3cccc1c32 101755809 LHIMHWGGFSPKNN-BZQGDAOHSA-N 302.403 4.537 10 1 DJCF Cc1cc(C)cc(C(=O)N=Nc2c(O)[nH]c3ccc(F)cc23)c1 617960056 KYMBKFMQFHXSNX-UHFFFAOYSA-N 311.316 4.554 10 1 DJCF COc1ccc(-c2cc3c(c4c2ccn4C)[C@@H]2CC[C@H]3C2)cn1 72138618 YWMQPDWPVWONCI-QWHCGFSZSA-N 304.393 4.614 10 1 DJCF COc1cc2nc(CCCCCCN=[N+]=[N-])[nH]c2cc1Cl 587259309 CJOPXFXIODWZIA-UHFFFAOYSA-N 307.785 4.638 10 1 DJCF CCOC(=O)c1[nH]c2ccccc2c1/N=N/c1ccc(OC)cc1 1857551916 WPHSNQHTARQWRT-QZQOTICOSA-N 323.352 4.769 10 1 DJCF Nc1ccc(Nc2cccc3c2Oc2ccccc2CC3=O)cc1 49088188 NGWBJEWHNMHGPJ-UHFFFAOYSA-N 316.360 4.544 10 1 DJCF CCN(c1ccncc1)c1cc(-c2c(C)noc2C)ccc1C 1857591306 QSFMPMCDBHVBQC-UHFFFAOYSA-N 307.397 4.820 10 1 DJCF COCc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587922241 MAYYFTBQPICQPJ-UHFFFAOYSA-N 316.401 4.503 10 1 DJCF Cc1ccc2c(c1)C(=Cc1sc3ccccc3[n+]1C)C=CN2C 1857614738 ONYWUWYDALNCFU-UHFFFAOYSA-N 319.453 4.538 10 1 DJCF CC(C)c1cc2c(c(O)c1O)[C@H]1CCCC(C)(C)[C@H]1CC2=O 2356427581 FROPMOMNKVVLHR-FZMZJTMJSA-N 302.414 4.718 10 1 DJCF Cc1ccc(NC(=S)/N=N/c2c(O)[nH]c3ccccc23)cc1 101570394 RBMZNGCBFOXSBC-FMQUCBEESA-N 310.382 4.663 10 1 DJCF O=C(O)c1ccc(/N=N/Cc2ccc(C(F)(F)F)cc2)cc1 169688509 GAMLIDKZOQUSFZ-FMQUCBEESA-N 308.259 4.688 10 1 DJCF CCCCCCSC(=S)NCc1c[nH]c2ccccc12 13679675 NEDFSWYBBSRYAQ-UHFFFAOYSA-N 306.500 4.856 10 1 DJCF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CN=[N+]=[N-])c1ccccc1 963241687 NIAUFCRVFMZGQX-JXFKEZNVSA-N 320.440 4.897 10 1 DJCF OCc1cccc(Nc2c3ccccc3nc3ccccc23)c1 26965455 JOLTZWVMOJFEJL-UHFFFAOYSA-N 300.361 4.624 10 1 DJCF CC(C)c1cc2c(c(O)c1O)[C@]1(C)CCCC(C)(C)[C@H]1C[C@@H]2O 13302641 XBFPSGWGBRXCFV-BXTJHSDWSA-N 318.457 4.742 10 1 DJCF biogenic CC(C)(C)c1cc(CN)c(O)c(Oc2ccc(Cl)cc2)c1 29219938 RFYTZPHQNGDSDG-UHFFFAOYSA-N 305.805 4.594 10 1 DJCF Cc1cccc(NC(=S)/N=N\c2c(O)[nH]c3ccccc23)c1 18122922 HIEKGGIFSRYTJJ-VXPUYCOJSA-N 310.382 4.663 10 1 DJCF Cc1ccc2cc3c(ccc4c(O)c(O)ccc43)c3c2c1CC3 29336248 RFHIYGSCDFAKHF-UHFFFAOYSA-N 300.357 4.964 10 1 DJCF CCCCC(=O)N[C@@H](c1ccco1)c1c(O)ccc2ccccc12 2921288 POOWNGNRDKDSLB-FQEVSTJZSA-N 323.392 4.534 10 3 DJCF COc1ccc(C/N=N/c2c(F)c(F)c(F)c(F)c2F)cc1 169690374 KUSTWATVAYQBFC-QZQOTICOSA-N 316.229 4.675 10 1 DJCF Cc1cccc(NC(=S)/N=N/c2c(O)[nH]c3ccccc23)c1 101486186 HIEKGGIFSRYTJJ-FMQUCBEESA-N 310.382 4.663 10 1 DJCF CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(O)c1 1772584603 WJHWOVWEFSHNNB-UHFFFAOYSA-N 314.425 4.998 10 1 DJCF CCCCCC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1 39633062 YTATWHGJBRAGGS-UHFFFAOYSA-N 309.477 4.791 10 1 DJCF Cc1ccc2c(c1)c(/N=N\c1ccc([N+](=O)[O-])cc1)c(O)n2C 4737596 HUIPOOCZSULAKZ-ZCXUNETKSA-N 310.313 4.516 10 1 DJCF CC(=O)Nc1ncc(N=Nc2cccc(C(F)(F)F)c2)s1 299812908 MRSNCTCXTJCFQN-UHFFFAOYSA-N 314.292 4.536 10 1 DJCF FC(F)=C(F)CCSc1ncc(-c2ccncc2)s1 299864471 RJFCIENEHBSBGN-UHFFFAOYSA-N 302.346 4.765 10 1 DJCF Cc1ccc(C)c2c(/N=N/c3ccccc3[N+](=O)[O-])c(O)[nH]c12 103941852 HWIOSUDFKMWKTI-VHEBQXMUSA-N 310.313 4.814 10 1 DJCF CCOC(=O)c1c(O)csc1Nc1ccc2ccccc2c1 169730432 AIDZPKZFTSJCFH-UHFFFAOYSA-N 313.378 4.527 10 1 DJCF O=[N+]([O-])c1cccc([CH-]/N=N/c2c(Cl)cncc2Cl)c1 169690348 JQLAEZHZKFCDJS-WUKNDPDISA-N 310.120 4.590 10 1 DJCF O=[N+]([O-])c1cc(/N=N/C2=C3CCCCN3CCC2)ccc1Cl 102032285 DPXORKPOVGXYOC-ISLYRVAYSA-N 320.780 4.823 10 1 DJCF Cc1cc(N(C)C)cc(C)c1/C=C/c1cc[n+](C)c2ccccc12 72122812 SLZQQIDCIWDVAP-UHFFFAOYSA-N 317.456 4.518 10 1 DJCF CC(C)c1c(O)c(O)cc2c1[C@]1(C)CCCC(C)(C)[C@@H]1CC2=O 13483636 LMJBIFCLJPOYLS-MGPUTAFESA-N 316.441 4.892 10 1 DJCF biogenic Cc1cccc(NC(=S)N=Nc2c(O)[nH]c3ccccc23)c1 254010481 HIEKGGIFSRYTJJ-UHFFFAOYSA-N 310.382 4.663 10 1 DJCF c1ccc(-c2nc(C3OCCCCO3)[nH]c2-c2ccccc2)cc1 13755446 UCZZPKDTPHMOKS-UHFFFAOYSA-N 320.392 4.569 10 1 DJCF O=C(O)c1cccc2c(-c3ccccc3)c(-c3ccncc3)[nH]c12 587638195 CHNYZAJPJBNEJG-UHFFFAOYSA-N 314.344 4.595 10 1 DJCF Oc1ccccc1CNc1ccc(-c2ccc(Cl)cc2)nc1 473084533 RIHKOFOOKOXXKT-UHFFFAOYSA-N 310.784 4.720 10 1 DJCF CN(C)CC/C=C1/c2ccccc2CCc2c(Cl)cccc21 31351125 CMGZPJIHOZMOKL-YVLHZVERSA-N 311.856 4.822 10 1 DJCF CC(C)CS1=C2C(=O)CC(C)(C)CC2=Nc2ccccc21 377840671 JXCUKBUDWUTEPE-UHFFFAOYSA-N 301.455 4.618 10 1 DJCF Oc1ccc2cc(-c3ccccc3C(F)(F)F)ccc2c1O 53243812 RWMDJKNZSJRMHM-UHFFFAOYSA-N 304.267 4.937 10 1 DJCF Oc1ccccc1CNCCC(c1ccccc1)c1ccccc1 40915046 ZMXFPFXKJCTLTM-UHFFFAOYSA-N 317.432 4.704 10 1 DJCF CC(C)n1c(O)c(N=Nc2ccc(Cl)nn2)c2ccccc21 253979369 NIRUMBOUYOLGSH-UHFFFAOYSA-N 315.764 4.787 10 1 DJCF CC(C)c1cc2c(c(O)c1O)C(=O)[C@H]1CCCC(C)(C)[C@@H]1CC2 13328436 WIEOUDNBMYRSRD-DZGCQCFKSA-N 316.441 4.793 10 1 DJCF endogenous,in-man CCOC(=O)c1c(C)[nH]c(N=Nc2ccccc2Cl)c1C 299813285 GIGAZDYKXRAYQI-UHFFFAOYSA-N 305.765 4.877 10 1 DJCF CC1(C)CC[C@@H]2c3cc(O)c(O)cc3C[C@]3(C)CCC[C@@H]1[C@H]23 1857583093 VHDBOZUAMJUIPF-YSCXQKKWSA-N 300.442 4.980 10 1 DJCF O=C(/N=N\C1=C(O)c2cccc3cccc1c23)c1cccc(O)c1 5166877 PVGVBMADBWZECV-MRCUWXFGSA-N 316.316 4.535 10 1 DJCF Cc1cc(C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccccc1 1772627258 YZQXPJFHKGVZHE-MRXNPFEDSA-N 318.420 4.585 10 1 DJCF c1ccc2[nH]c(CNc3c4ccccc4nc4ccccc34)nc2c1 212434724 KFJJSKZAMYJRCX-UHFFFAOYSA-N 324.387 4.876 10 1 DJCF Clc1cccc(/N=N/Cc2ccc(N3CCOCC3)s2)c1 169688556 GFLXFTRUGNJBGR-ISLYRVAYSA-N 321.833 4.522 10 1 DJCF O=C(O)c1ccc(/N=N/c2c(O)[nH]c3cc(Cl)ccc23)cc1 8378825 NSMSPIJRSJUKMM-VHEBQXMUSA-N 315.716 4.641 10 1 DJCF CCN(CC)Cc1c(O)ccc2oc(Cc3ccccc3)cc12 103262358 BMPZZXBPVILSIT-UHFFFAOYSA-N 309.409 4.571 10 1 DJCF Cc1cccc2c1N(C)C=CC2=Cc1sc2ccccc2[n+]1C 1857579113 VTXNTAXWPMZYDS-UHFFFAOYSA-N 319.453 4.538 10 1 DJCF COc1cccc2c(NCc3ccco3)c3ccccc3nc12 45300208 JUQIEOCPSFOLGX-UHFFFAOYSA-N 304.349 4.602 10 1 DJCF CN(C)c1ccc(C/N=N/c2c(Cl)cncc2Cl)cc1 169691114 WTKPIKDFUHOBPX-VHEBQXMUSA-N 309.200 4.738 10 1 DJCF Cc1ccc(-c2ccc(-n3c(C)ccc3C)c(C(=O)O)c2)cc1 219899060 PANOWZJZACBYRC-UHFFFAOYSA-N 305.377 4.768 10 1 DJCF O=C1c2ccccc2-c2nnc(-c3cccc4ccccc34)cc21 27304443 SEZLRTFBPWITRL-UHFFFAOYSA-N 308.340 4.508 10 1 DJCF COc1ccc(-c2ccc(NCc3ccccc3O)cc2)cc1 473085517 XGRCIWJPTBMRMQ-UHFFFAOYSA-N 305.377 4.680 10 1 DJCF CC(C)n1c(O)c(/N=N\c2ccc(Cl)nn2)c2ccccc21 6050116 NIRUMBOUYOLGSH-VXPUYCOJSA-N 315.764 4.787 10 1 DJCF Oc1ccc(CCCc2ccccc2)cc1CN1CCCCC1 473110895 XCOWJWOZTRBLEY-UHFFFAOYSA-N 309.453 4.553 10 1 DJCF CC(C)c1c(O)c(O)cc2c1[C@]1(C)CCCC(C)(C)[C@H]1CC2=O 13483638 LMJBIFCLJPOYLS-FOIQADDNSA-N 316.441 4.892 10 1 DJCF biogenic Oc1ccccc1C(/N=N/c1ccccc1)c1ccccc1O 169724328 BIMHOUUZEILKMN-QZQOTICOSA-N 304.349 4.971 10 1 DJCF CN(C)c1ccc(-c2nc(-c3cc(F)ccc3F)cs2)cc1 587921932 CIKVAWRGLHHTJN-UHFFFAOYSA-N 316.376 4.821 10 1 DJCF Cc1ccc([C@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@H]23)cc1 1058769 VSRZDWAATYOPFA-JTDSTZFVSA-N 305.377 4.520 10 1 DJCF Cc1cc(CNC2CCCCC2)c(C)n1-c1ccc(F)cc1 1911581149 IIGKMSVCOJOMFF-UHFFFAOYSA-N 300.421 4.656 10 1 DJCF CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 13574823 GSKKZQXPDXIHTN-ABSDTBQOSA-N 319.404 4.690 10 1 DJCF [N-]=[N+]=NCCCCCCc1nc2cc(Cl)c(F)c(F)c2[nH]1 587259255 BAOIZDQDNTXFGU-UHFFFAOYSA-N 313.739 4.908 10 1 DJCF Cc1sc2ncnc(/N=N/c3c(O)[nH]c4ccccc34)c2c1C 101849317 VVJGAJMVPRSHSR-QZQOTICOSA-N 323.381 4.910 10 1 DJCF C[C@H](/N=N/c1nc2ccccc2s1)c1ccc2c(c1)OCO2 169689478 CZGMZQZMDHBDHD-LDIGWACQSA-N 311.366 4.870 10 1 DJCF CCOc1ccc(-n2c(C)nc(O)c2N=Nc2ccccc2)cc1 253915814 ROFRXCLSWKEWTN-UHFFFAOYSA-N 322.368 4.700 10 1 DJCF CC[C@@]1(C)C[C@@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586889099 LAGHVEODGZVUGK-BEFAXECRSA-N 307.397 4.841 10 1 DJCF Cc1ccc2c(ccc3nc(CCCCCCN=[N+]=[N-])[nH]c32)n1 587259378 DLRQDWKSTHEENJ-UHFFFAOYSA-N 308.389 4.833 10 1 DJCF [N-]=[N+]=NCCCCCCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 587259653 HAQWCKRRXYJENO-UHFFFAOYSA-N 315.274 4.533 10 1 DJCF CN(C)Cc1ccc2n1-c1ccccc1S[C@H]2c1ccccc1 13651948 FDBYIIBXPLWFTK-FQEVSTJZSA-N 320.461 4.734 10 1 DJCF CC(C)c1cc2c(c(O)c1O)[C@H]1CCCC(C)(C)[C@@H]1CC2=O 238784565 FROPMOMNKVVLHR-SMDDNHRTSA-N 302.414 4.718 10 1 DJCF Oc1cc(CCCc2ccccc2)ccc1CN1CCCCC1 473108576 NSGMOJWWSSAAAR-UHFFFAOYSA-N 309.453 4.553 10 1 DJCF CN(C)c1ccc(/C=C/c2cc(N(C)C)nc3ccccc23)cc1 1695798 YXSMYHGKFHRHCD-FMIVXFBMSA-N 317.436 4.537 10 1 DJCF CC(C)NCCC[C@H](C)Nc1c2ccccc2nc2ccccc12 29555639 MZOLNSCLJIQFDV-INIZCTEOSA-N 321.468 4.967 10 1 DJCF Cc1cc(C2=NN(c3ccccc3)[C@H](c3ccco3)C2)ccc1O 103283072 BZQAGMFANWMRRV-SFHVURJKSA-N 318.376 4.649 10 1 DJCF N=C(N)c1ccc(NN=Nc2cccc(-c3ccccc3)c2)cc1 653827674 HQOYVIXMAKTZLM-UHFFFAOYSA-N 315.380 4.748 10 1 DJCF CCOC(=O)c1c(O)csc1Nc1ccc(C(C)(C)C)cc1 169730442 OBQAJJMFBYGDGQ-UHFFFAOYSA-N 319.426 4.672 10 1 DJCF Cc1cc(C(F)(F)F)nc(/N=N/Cc2ccc(Cl)cc2)n1 169720490 MENUOYOHFRERHC-DYTRJAOYSA-N 314.698 4.741 10 1 DJCF CC(C)c1cc2c(c(O)c1O)C[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2O3 15166907 FTWYPGDUWLQFCC-FTRWYGJKSA-N 316.441 4.804 10 1 DJCF Cc1ccc2c(c1)c(N=Nc1ccc([N+](=O)[O-])cc1)c(O)n2C 253993120 HUIPOOCZSULAKZ-UHFFFAOYSA-N 310.313 4.516 10 1 DJCF Cc1nn(-c2ccccc2)c(N)c1N=Nc1ccc(Cl)cc1 299813304 MXXIRNYHESNMPI-UHFFFAOYSA-N 311.776 4.832 10 1 DJCF O=[N+]([O-])c1cc(/N=N\C2=C3CCCCN3CCC2)ccc1Cl 40950637 DPXORKPOVGXYOC-ZCXUNETKSA-N 320.780 4.823 10 1 DJCF Oc1ccc2ccccc2c1[C@@H](c1cccs1)N1CCCC1 711951 CUBCLFFAHGDDBU-LJQANCHMSA-N 309.434 4.792 10 1 DJCF O=C(/N=N\C1=C(O)c2cccc3cccc1c23)c1ccc(O)cc1 5163687 PKZMVMBJLHLJTG-MRCUWXFGSA-N 316.316 4.535 10 1 DJCF CCOC(=O)c1c(C)[nH]c(/N=N\c2ccccc2Cl)c1C 102718704 GIGAZDYKXRAYQI-HNENSFHCSA-N 305.765 4.877 10 1 DJCF CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2C2CC2)cc1 73197315 UQGRJQRMBOWTMS-UHFFFAOYSA-N 321.469 4.760 10 1 DJCF CNc1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1 29252110 RADZUHZYBGTFCL-UHFFFAOYSA-N 314.392 4.756 10 1 DJCF O=C(N=NC1=C(O)c2cccc3cccc1c23)c1ccc(O)cc1 254003064 PKZMVMBJLHLJTG-UHFFFAOYSA-N 316.316 4.535 10 1 DJCF C[C@@H](/N=N/c1nc2ccccc2s1)c1ccc2c(c1)OCO2 169689477 CZGMZQZMDHBDHD-XZDDXTHTSA-N 311.366 4.870 10 1 DJCF CC(=O)N(C)c1ccc(N=Nc2ccc3ncccc3c2)cc1 254045108 DMUWCUMPBHNURH-UHFFFAOYSA-N 304.353 4.633 10 3 DJCF Cc1cc(C)cc(C(=O)/N=N/c2c(O)[nH]c3ccc(F)cc23)c1 103960783 KYMBKFMQFHXSNX-QZQOTICOSA-N 311.316 4.554 10 1 DJCF CCCN(CCC)c1ccc(/C=C/c2cc(O)cc(O)c2)cc1 95564058 KCWHXNLZBZFVRN-AATRIKPKSA-N 311.425 4.895 10 1 DJCF CC(C)c1cc2c(c(O)c1O)[C@@H]1CCCC(C)(C)[C@@H]1CC2=O 2356427580 FROPMOMNKVVLHR-BXUZGUMPSA-N 302.414 4.718 10 1 DJCF Cc1ccc(C(C)C)n1-c1cccc(Br)c1[N+](=O)[O-] 587936889 LOGNIWVLYWKOAV-UHFFFAOYSA-N 323.190 4.580 10 1 DJCF CCOc1cc(-n2c(C)ccc2C(C)C)c(Cl)cc1C(=O)O 587940115 GFFVKHWRQINWBT-UHFFFAOYSA-N 321.804 4.659 10 1 DJCF Cc1cc(C)c2[nH]c(O)c(N=Nc3ccc(C(=O)O)cc3)c2c1 253983087 YNZLLZWHERPJFA-UHFFFAOYSA-N 309.325 4.604 10 1 DJCF COc1ccc2nc(/N=N\c3ccc(N(C)C)cc3)sc2c1 95545365 AVPFTROGVGTTEC-HNENSFHCSA-N 312.398 4.786 10 1 DJCF Oc1[nH]c2ccccc2c1/N=N/c1ccc(C(F)(F)F)cn1 102704922 WVEQWVOAKZWPSP-QZQOTICOSA-N 306.247 4.703 10 1 DJCF Cc1ccc2c(c1)c(/N=N/C(=N)S)c(O)n2Cc1ccccc1 101540678 MRNAUDHVHBDMPO-FMQUCBEESA-N 324.409 4.652 10 1 DJCF CC(C)c1c(O)c(O)c2c(c1C=O)C=C1C(C)(C)CCC[C@]12C 13451920 MLZIUWDMOAACSJ-HXUWFJFHSA-N 314.425 4.899 10 1 DJCF biogenic CCc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)O)cc1)N2 4168354 XSXZVZNFOJWNCU-ZWOKBUDYSA-N 319.404 4.774 10 1 DJCF CCOC(=O)N=Nc1c(O)n(Cc2ccccc2)c2ccccc12 253961061 ARZPOSGSZYWULA-UHFFFAOYSA-N 323.352 4.635 10 1 DJCF CC(=O)Nc1ncc(/N=N\c2cccc(C(F)(F)F)c2)s1 12560106 MRSNCTCXTJCFQN-HNENSFHCSA-N 314.292 4.536 10 1 DJCF Oc1ccccc1[C@H](c1ccccc1)N1CCc2ccccc21 1772645227 IEHJMRHTNKIEQE-NRFANRHFSA-N 301.389 4.544 10 1 DJCF CC(C)c1cc2c(c(O)c1O)[C@@H]1CCCC(C)(C)[C@H]1CC2=O 2356427582 FROPMOMNKVVLHR-RISCZKNCSA-N 302.414 4.718 10 1 DJCF C[C@]12CC[C@H](N=NN)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C=CC[C@H]12 2356852405 JAFZFYKKDJXTTP-NXLDWJNLSA-N 301.478 4.890 10 1 DJCF C[C@]12CC[C@H](N=NN)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C=CC[C@@H]12 2356852406 JAFZFYKKDJXTTP-WRYXYBQESA-N 301.478 4.890 10 1 DJCF O=C(/N=N/c1c(O)[nH]c2ccc(F)cc12)c1ccc(Cl)cc1 103969839 RVONNYGFYZBDLB-FMQUCBEESA-N 317.707 4.590 10 1 DJCF Fc1ccc(-c2csc(/N=N/Cc3cccnc3)n2)c(F)c1 169728166 AHBPDCHEMQZFIG-XUTLUUPISA-N 316.336 4.767 10 1 DJCF Cc1cc(/C=C2\Sc3ccccc3N2C)[n+](C)c2ccccc12 5003581 RPTMJVXFFUTCFQ-UHFFFAOYSA-N 319.453 4.513 10 1 DJCF CC(C)(N=[N+]=[N-])c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105318 YGOZUZSDVLNJGU-UHFFFAOYSA-N 314.348 4.992 10 1 DJCF Cc1ccc(C)c2c(N=Nc3ccccc3[N+](=O)[O-])c(O)[nH]c12 617995260 HWIOSUDFKMWKTI-UHFFFAOYSA-N 310.313 4.814 10 1 DJCF CC[C@H](C)c1ccc2[nH]c(-c3ccc(O)c(O)c3)c(NC)c2c1 587641914 ILOYPQCZOVWDDT-NSHDSACASA-N 310.397 4.801 10 1 DJCF Cn1c2c(c3ccccc31)CCc1c-2nc2cccc3c2c1CC3 587210957 ISRJLMZJTVOWQN-UHFFFAOYSA-N 310.400 4.591 10 1 DJCF c1ccc2c(c1)Oc1ccccc1N2CCCCN1CCCC1 1535470 PBHLXXNCNOMPMA-UHFFFAOYSA-N 308.425 4.806 10 1 DJCF CC(=O)Nc1ncc(/N=N/c2cccc(C(F)(F)F)c2)s1 101876992 MRSNCTCXTJCFQN-VHEBQXMUSA-N 314.292 4.536 10 1 DJCF CCCCN(Cc1cccc(C)c1O)C(=O)Nc1ccccc1 45335535 UEBGIRYMJKQKHD-UHFFFAOYSA-N 312.413 4.535 10 1 DJCF Cc1ccc(C)n1-c1ccccc1NC(=S)Nc1ccccc1 653805790 OZGFGFQUEJWNQE-UHFFFAOYSA-N 321.449 4.903 10 1 DJCF Cc1ccc(C)c2c1cc(C(C)(C)O)c1nc3ccccc3nc12 685935718 ZSQFZAHODYUZHY-UHFFFAOYSA-N 316.404 4.780 10 1 DJCF biogenic,in-vitro O=C(N=Nc1c(O)[nH]c2ccc(F)cc12)c1ccc(Cl)cc1 617960158 RVONNYGFYZBDLB-UHFFFAOYSA-N 317.707 4.590 10 1 DJCF CC[n+]1c(/C=C/N(C)c2ccccc2)oc2ccc(Cl)cc21 294906 MNDNSIUYIXBUEM-UHFFFAOYSA-N 313.808 4.501 10 3 DJCF Oc1cc(CCCc2cccs2)ccc1CN1CCCCC1 473109482 SCQAGTDOSNEVPY-UHFFFAOYSA-N 315.482 4.615 10 1 DJCF O=C1c2ccccc2C(=O)c2c(-c3cccc4ccccc34)coc21 1857631600 CBWPQRWVKCXPAY-UHFFFAOYSA-N 324.335 4.875 10 1 DJCF CC(C)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)[C@H]1C[C@H]2O 238769349 XBFPSGWGBRXCFV-SXGZJXTBSA-N 318.457 4.742 10 1 DJCF Oc1ccc(C/N=N/c2ccnc3cc(Cl)ccc23)cc1O 169688197 NJXVUCBMPGIMQN-FMQUCBEESA-N 313.744 4.583 10 1 DJCF CC[C@]1(C)C[C@@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586889103 LAGHVEODGZVUGK-DNVCBOLYSA-N 307.397 4.841 10 1 DJCF CCCCCn1cc2c3c(cccc31)[C@@H]1C=C(C)CN(C)[C@@H]1C2 5138918 LDXAIDDOZJVFQO-AZUAARDMSA-N 308.469 4.732 10 1 DJCF CCC[C@H]1c2cccc3c2[C@@H](Cc2ccc(O)c(O)c2-3)N1CC 5843327 IJBNWYRAKMOUIC-JKSUJKDBSA-N 309.409 4.539 10 1 DJCF Cc1ccc(C(C)C)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 587937825 OEHSAKNRZVFKSN-UHFFFAOYSA-N 320.392 4.669 10 1 DJCF CCOc1ccc(-n2c(C)nc(O)c2/N=N/c2ccccc2)cc1 101684564 ROFRXCLSWKEWTN-QZQOTICOSA-N 322.368 4.700 10 1 DJCF Cc1cc(C)c2c(c1)C(=O)C(=O)c1c(-c3ccccc3)coc1-2 45291010 UUYNYUQCQAEACL-UHFFFAOYSA-N 302.329 4.609 10 1 DJCF CCOC(=O)c1c(C)[nH]c(/N=N/c2ccccc2Cl)c1C 18145763 GIGAZDYKXRAYQI-VHEBQXMUSA-N 305.765 4.877 10 1 DJCF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CN=[N+]=[N-])c1ccccc1 963241691 NIAUFCRVFMZGQX-OXJNMPFZSA-N 320.440 4.897 10 1 DJCF COc1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1 26841293 BENGNCWKMYOLLX-UHFFFAOYSA-N 315.376 4.722 10 1 DJCF Oc1ccc2c(=S)cc(-c3ccc(Cl)cc3)oc2c1O 1772606217 UWFJMASUXYAUJU-UHFFFAOYSA-N 304.754 4.894 10 1 DJCF Cc1cccc([C@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@H]23)c1 49047473 YJYKBXAPXXBDNN-JTDSTZFVSA-N 305.377 4.520 10 1 DJCF COc1ccc2nc3ccccc3c(Nc3ccc(N)cc3)c2c1 26846942 UANSUOYZALRSNA-UHFFFAOYSA-N 315.376 4.722 10 1 DJCF