smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC1CCN(C(=O)Cn2ncc3c(Cl)cccc32)CC1 6768336 UDCJCASBNIVPIU-UHFFFAOYSA-N 291.782 2.948 0 1 CFAF COC(=O)C1=C(c2ccc(F)cc2)C[C@H]2CC[C@H]1O2 101024798 AQYGKZKOQFVRAD-DGCLKSJQSA-N 262.280 2.704 0 1 CFAF CC(=O)CC[C@@H](C=C[C@@](C)(O)CC(C)=O)C(C)C 2356427663 IRHPCGCGDGIOQA-LSDHHAIUSA-N 254.370 2.914 0 1 CFAF CO[C@H]1O[C@@]23C=CC[C@H](C)[C@@]2(C)[C@@H](C(=O)CC3)[C@@H]1C 100091466 FVTXNULUHYXYOE-HPYGTKAVSA-N 264.365 2.945 0 1 CFAF in-vitro Cc1cccc(-c2cccn(Cc3[nH]cnc3C)c2=O)c1 26989600 JRSXRUJLIONKAG-UHFFFAOYSA-N 279.343 2.904 0 1 CFAF CO[C@]1(c2cccc(O)c2)CCCC[C@@H]1CN(C)C 29128423 IHHOPZQJPZTOOA-ZBFHGGJFSA-N 263.381 2.986 0 1 CFAF C[C@@H]1C[C@@H]2CC(=O)[C@@H]3CCCN4CCCC[C@@]23[C@]4(O)C1 2356704213 LIAOMFRUDNEIRY-BDLOOMQFSA-N 277.408 2.576 0 1 CFAF O=C(NCC1CC1)c1ccc(-c2cn[nH]c2)c2ccoc12 61895675 AUIMYCDTISRPNE-UHFFFAOYSA-N 281.315 2.963 0 3 CFAF NC(=S)N1N=C(c2ccccc2)C[C@H]1c1ccco1 38247515 LNWZBSQNGJCMLV-LBPRGKRZSA-N 271.345 2.674 0 1 CFAF O=C1CC2(CCCC2)Cc2nc(N3CCOCC3)sc21 35032313 NUNXFCGNDBTKTN-UHFFFAOYSA-N 292.404 2.669 0 1 CFAF C/C1=C\C[C@H](O)/C(C)=C/[C@H]2OC(=O)[C@H](C)[C@@H]2CC1 44681143 RLHPCSSGTQNSJN-SNJNAKRBSA-N 250.338 2.602 0 1 CFAF Cc1ncsc1[C@@H](Cc1ccccc1)O[N+](=O)[O-] 95556912 VVNRSZWPVRHDSM-LLVKDONJSA-N 264.306 2.944 0 1 CFAF CN(CCc1ccccn1)[C@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42 299845762 YLVXPEMITKSDOS-UBKZYGRHSA-N 280.415 2.702 0 1 CFAF COc1ccccc1OCc1cn(Cc2ccccc2)nn1 299872015 ZRMRJKWFECANNV-UHFFFAOYSA-N 295.342 2.914 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3n[nH]c(C)c31)O2 587395421 COBFIHDXEZPZTG-KRWDZBQOSA-N 297.358 2.806 0 1 CFAF COc1cc(C)c(N)c(-c2nc3cc(F)cnc3[nH]2)c1 587250120 UGEWXPRFJMRPGL-UHFFFAOYSA-N 272.283 2.663 0 1 CFAF Cc1cc(C)c2[nH]c([C@@H](O)C3CCOCC3)nc2c1 586914284 YWQIPIRDXPJKOM-AWEZNQCLSA-N 260.337 2.640 0 1 CFAF CC(C)[C@@H]1CCCc2nc3nc(O)nc(O)c3cc21 587561700 JXRMVQNVYTUSRB-QMMMGPOBSA-N 259.309 2.512 0 1 CFAF Cc1c(Br)cnc2[nH]c([C@@H](N)C(C)C)nc12 587258613 HKTOOSHKOCGCAA-QMMMGPOBSA-N 283.173 2.685 0 1 CFAF COc1ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2n1 587087239 CGGVSLROAKWXLN-MRVPVSSYSA-N 294.305 2.716 0 1 CFAF COc1cc2nc(-c3cccnc3N(C)C)[nH]c2cc1OC 587196234 VDWFCINMULAFGM-UHFFFAOYSA-N 298.346 2.708 0 1 CFAF CC(=O)c1ccc2[nH]c(-c3ccc(CO)cc3)nc2c1 586895265 COIKDQIUBPMNSY-UHFFFAOYSA-N 266.300 2.925 0 1 CFAF O=NCc1ccc(-c2nc3c(O)nccc3[nH]2)cc1 587191202 VKFSXWFFSLBPRS-UHFFFAOYSA-N 254.249 2.597 0 1 CFAF CSCC(C)(C)c1nc2cccc(C(=O)O)c2[nH]1 586968964 LMLZCNRGIQPJET-UHFFFAOYSA-N 264.350 2.902 0 1 CFAF CC[C@H](C)[C@]1(C(=O)O)NCCc2cc(C)c(F)cc21 962298439 MBNMCEMWTDHPAW-BONVTDFDSA-N 265.328 2.606 0 1 CFAF CCc1cc(NC(=O)C(C)(C)C)c(OC)nc1C 5847589 YNOHDVUYAXBTFK-UHFFFAOYSA-N 250.342 2.946 0 1 CFAF Nc1ccccc1C1=NN(C(=O)c2ccccc2)CC1 13584758 BPXXGVHBSNYQOH-UHFFFAOYSA-N 265.316 2.519 0 1 CFAF Fc1cncc(Nc2ccc([C@H]3CNCCO3)cc2)c1 150044818 KQAIOWLBUNCCPB-OAHLLOKOSA-N 273.311 2.625 0 1 CFAF N[C@H]1Cc2cc(Oc3ccccc3)ccc2-n2cnnc21 169329619 YVBNPYJCXOEMTB-AWEZNQCLSA-N 278.315 2.616 0 1 CFAF CC1=C[C@H](O)[C@H]2[C@H](C)C(=O)O[C@@H]2C=C(C)CCC1 2356444002 GVPJXSQYSBKZEM-IGQOVBAYSA-N 250.338 2.602 0 1 CFAF c1ccc(COC2=NO[C@@]3(C2)C[C@@H]2CC[C@H](C3)N2)cc1 101551402 PPJDSTGGORILAA-MIFYACCESA-N 272.348 2.590 0 1 CFAF CC(C)N1C[C@H](F)[C@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356316887 ZOTYBZXFKSMEQT-SMDDNHRTSA-N 295.333 2.649 0 1 CFAF C[C@@H](CN1CCCC1)Oc1cccc2ccc(N)nc12 28390400 VYWGUEOIYCTONK-LBPRGKRZSA-N 271.364 2.680 0 1 CFAF CN1CCCC[C@@]1(C)C(=O)NCc1cc(Cl)ccc1F 61908625 IFTMWFMJKXSTHF-HNNXBMFYSA-N 298.789 2.970 0 3 CFAF O[C@@H]1c2cc(Br)ccc2N=C2CCCCN21 64732107 ZUXUVUOTURPEFM-GFCCVEGCSA-N 281.153 2.970 0 1 CFAF C[C@@H]1C(=O)OC2=C1[C@H](O)[C@]1(C)[C@@H](C)CCC[C@@H]1C2 2356559038 VMUFDWQSKQTRRF-RMEBFJKESA-N 250.338 2.641 0 1 CFAF CCCCOC(=O)/C=C\c1ccc(O)c(OC)c1 79428427 JTQRZRRDNZAHMH-VURMDHGXSA-N 250.294 2.757 0 1 CFAF CC(=O)N1N=C(c2ccccc2)O[C@@H]1c1ccccc1 72180875 XOQIXXVBMACXEU-MRXNPFEDSA-N 266.300 2.926 0 1 CFAF CC1(Cc2ccccc2)C(=O)N(c2ccccc2)C1=O 45245387 ZFHCQEMYYXRUAS-UHFFFAOYSA-N 265.312 2.809 0 1 CFAF in-vivo N=C(N)NCCCN(Cc1ccccc1)c1ccccc1 45323035 FPDDKESBWGBWBM-UHFFFAOYSA-N 282.391 2.566 0 1 CFAF Nc1cc(-c2ccc3ncnc(N)c3c2)ccc1F 148880717 RXHYLPRJWFWOPX-UHFFFAOYSA-N 254.268 2.600 0 1 CFAF CN(Cc1ccccc1)c1nc(=O)c2cccnc2s1 148469491 WGLAKBYDFKQWPL-UHFFFAOYSA-N 283.356 2.688 0 1 CFAF COc1cccc(-c2cccc([C@@]3(C)COCC(N)=N3)c2)c1 96906020 UJJUBYHHIWOWQJ-GOSISDBHSA-N 296.370 2.965 0 1 CFAF COc1ccc(-c2cn(-c3c[nH]c4ncccc34)nn2)cc1 653711461 KAXUQBGPHKYRSR-UHFFFAOYSA-N 291.314 2.819 0 1 CFAF COc1ncc(F)cc1-c1nc2ncc(Cl)cc2[nH]1 587175938 KILIVEOMNXODAV-UHFFFAOYSA-N 278.674 2.821 0 1 CFAF C=C(NC(C)=O)c1nc2cccc(C(F)(F)F)c2[nH]1 587204617 XTJWKCIIDRNQQP-UHFFFAOYSA-N 269.226 2.689 0 1 CFAF O=C1O/C(=C/c2nc3cnc(Cl)[nH]c-3n2)c2ccccc21 586907126 SKOGIDNHCRSPGK-BJMVGYQFSA-N 298.689 2.626 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(C)c(C)[nH]1)O2 587397365 UTUJHYPINZTBMR-CYBMUJFWSA-N 271.320 2.624 0 1 CFAF O=C(O)/C=C\c1ccccc1-c1nc2cnccc2[nH]1 586880380 PXOLBDNADTWKNB-WAYWQWQTSA-N 265.272 2.723 0 1 CFAF COc1ccc(C=O)cc1-c1nc2ccc(CO)cc2[nH]1 587786600 ITTDIGLPSYAEKO-UHFFFAOYSA-N 282.299 2.543 0 1 CFAF C[C@H](C(=O)O)c1cc(C(=O)c2ccccc2)ccc1O 13558297 CCJUIADWUOKEND-JTQLQIEISA-N 270.284 2.811 0 1 CFAF CO[C@](C)(CO)c1ccc(C)cc1OC(=O)C=C(C)C 14588717 VCMSRECHCNEQOQ-MRXNPFEDSA-N 278.348 2.721 0 1 CFAF biogenic,in-vitro O=C(NN1CCCCC1)c1cccc(C2CCCC2)n1 150233604 HVLCSBIIKZAQSW-UHFFFAOYSA-N 273.380 2.870 0 1 CFAF Oc1cccc(NCCN2CCN(c3ccccc3)CC2)c1 169339906 CEHQAPDGUFUFDY-UHFFFAOYSA-N 297.402 2.626 0 1 CFAF O=C1NC(=S)NC1=Cc1cccc(Oc2ccccc2)c1 1857621635 HLVPIZURNZTVCM-UHFFFAOYSA-N 296.351 2.824 0 1 CFAF O=C1OCCN1C(=O)c1ccc(Oc2ccc(O)cc2)cc1 1857641876 JLMDYNWLRBFYCV-UHFFFAOYSA-N 299.282 2.777 0 1 CFAF CC1(C)C(=O)Nc2cc3[nH]c(C(F)(F)F)nc3cc21 29310805 ZUCNVXRXIVITJH-UHFFFAOYSA-N 269.226 2.811 0 1 CFAF N[C@H]1C=C[C@H](NCCCNCC2CCCCCC2)CCC1 29391425 MHVHEEIYOVFXLJ-QZTJIDSGSA-N 293.499 2.962 0 1 CFAF CCCN(C)C(=O)c1c(-c2cccs2)noc1[C@@H](C)O 2356506239 GODOJFKWWXFIBK-SECBINFHSA-N 294.376 2.938 0 1 CFAF COC(=O)c1ccc2[nH]c(COc3ccccc3)nc2c1 28815549 SOQRKXCKLPEZGF-UHFFFAOYSA-N 282.299 2.929 0 1 CFAF CC1=C[C@H](C[C@H](C)[C@H]2C=C[C@@](C)(O)CC2)OC1=O 2356816559 DCLJMBAXVKHPKN-GZCFXPHUSA-N 250.338 2.602 0 1 CFAF CC(C)(C)O[C@H]1Oc2ccccc2-c2nc(NN)ncc21 73240377 WJVDIWQRDUFPKF-CYBMUJFWSA-N 286.335 2.635 0 1 CFAF c1ccc(C(CCNCc2nnn[nH]2)c2ccccc2)cc1 73161270 KDVLNFAUMUAYHF-UHFFFAOYSA-N 293.374 2.512 0 1 CFAF C[C@H](C(=O)O)[C@@H]1CC[C@@H](C)[C@H]2CCC(CO)=C[C@@H]12 238753682 JTUOWRWJSXCKMC-GPXIKIIXSA-N 252.354 2.698 0 1 CFAF COc1cc2c3c(c1OC)C(=O)N[C@H]3Cc1ccccc1-2 238784507 VWCDNKPLOWCONG-LBPRGKRZSA-N 281.311 2.711 0 1 CFAF Cc1ccc(N2C(=O)C3(CCCCC3)NC2=S)cc1 95872959 XBXHQYRJXOJFPY-UHFFFAOYSA-N 274.389 2.919 0 3 CFAF O=C1COc2ccccc2[C@H]2CC(c3ccccc3)=NN12 653687664 TUJYTEWDFVGQRG-OAHLLOKOSA-N 278.311 2.757 0 1 CFAF O=C1NC(=O)c2ccc(-c3ccco3)c3cccc1c23 653717452 IOEHFVQLYYATPW-UHFFFAOYSA-N 263.252 2.983 0 1 CFAF Oc1nc(-c2ccccc2)nc2nn(-c3ccccc3)nc12 653767609 GEVGJFDXEDUQJH-UHFFFAOYSA-N 289.298 2.583 0 1 CFAF CSc1ccccc1Cc1ccc2c(O)nc(O)nc2n1 587562966 NUXHUCITZRWBHX-UHFFFAOYSA-N 299.355 2.749 0 1 CFAF Cc1cc(F)c2[nH]c(-c3nc(Cl)cnc3N)nc2c1 587087433 QCQNJAFGJXWHHH-UHFFFAOYSA-N 277.690 2.703 0 1 CFAF C[C@H]1CC(c2ccc3c(O)nc(O)nc3n2)C[C@H](C)C1 587561369 HAGPGTDIXWVHBR-RKDXNWHRSA-N 273.336 2.976 0 1 CFAF CC1=NN2C(=O)[C@H](C)Oc3ccc(Cl)cc3[C@H]2C1 1857635244 LJKDANBTXNEGAI-GZMMTYOYSA-N 264.712 2.770 0 1 CFAF N=c1c2c([nH]c3ccccc13)C[C@@H](C(F)(F)F)CC2=O 1772594388 YXZRHQXSDWIBGM-SSDOTTSWSA-N 280.249 2.955 0 1 CFAF O=C(Cn1cccc1C(=O)c1ccccc1)NC1CCCC1 5135403 HCSCGDYGZQRZKI-UHFFFAOYSA-N 296.370 2.778 0 1 CFAF Cc1nc2c(c(=O)[nH]1)-c1cccc(Br)c1CC2 13832491 NNWBSMFFEQJQQT-UHFFFAOYSA-N 291.148 2.606 0 1 CFAF COc1cc2c3c(c1O)OCc1cc(O)cc(c1-3)CC2 15216513 MZQXNYUCDYFBFY-UHFFFAOYSA-N 270.284 2.764 0 1 CFAF C=Cc1ccc([C@@H]2C[C@H]3CC[C@@H](N3)[C@@H]2C(=O)OC)cc1 169318329 KHYFCJWXLVZFLY-QKPAOTATSA-N 271.360 2.727 0 1 CFAF COc1ccc([C@@H]2C[C@@H](O)[C@@H](CC(C)C)CN2)cc1OC 169368735 GWFDJRQWEMAOSK-SOUVJXGZSA-N 293.407 2.761 0 1 CFAF O=C(Nc1ccc(Cl)cc1)O[C@@H]1CN2CCC1CC2 129809 KHINMWCEXQIYHR-CYBMUJFWSA-N 280.755 2.983 0 3 CFAF CCn1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)n1 8090978 WSAMRZBXLGSLBA-UHFFFAOYSA-N 288.395 2.993 0 1 CFAF CC[C@@H](C)COc1cc([C@@H]2CNC(=O)C2)ccc1OC 29233420 CTBFKVULAKMSGK-YPMHNXCESA-N 277.364 2.724 0 1 CFAF Oc1ccccc1Nc1nccc(-c2cccnc2)n1 26655970 GATLVWXJLVQTDJ-UHFFFAOYSA-N 264.288 2.988 0 1 CFAF Cc1cc([C@@H]2C[C@@H](O)c3c(O)cc(O)cc3O2)ccc1O 2356582746 VSTNKEFYHIVZJZ-KGLIPLIRSA-N 288.299 2.669 0 1 CFAF CC=CC=C[C@@H](CC(=O)O)Nc1ccc(C=O)cc1 2356710958 AUFWENFXRHUNPX-AWEZNQCLSA-N 259.305 2.887 0 1 CFAF COC(=O)C1=CC[C@@](C)([C@](C)(O)CC=CC(C)(C)O)CC1 2356769897 QCLBMEWHUVHURX-IAGOWNOFSA-N 296.407 2.744 0 1 CFAF CCCCOC(=O)[C@H](C)[C@@H]1CC[C@@H](C[C@@H](O)CC)O1 2356804551 ZFKDLZOPYLJGOP-RFGFWPKPSA-N 272.385 2.674 0 1 CFAF CC(=O)NCc1cc(-c2ccc(Br)cc2)no1 34573889 RYANWDBTPOTEGY-UHFFFAOYSA-N 295.136 2.740 0 1 CFAF CCOC(=O)c1cc(COc2ccc3ncccc3c2)on1 49802688 VMMAEMFOPACXEP-UHFFFAOYSA-N 298.298 2.979 0 1 CFAF CN(CCC(=O)c1ccncc1)Cc1ccccc1 45365677 PBFYWLQPKBFUOQ-UHFFFAOYSA-N 254.333 2.786 0 1 CFAF Cc1csc2c(NC[C@@H](C)N)nc(-c3ccncc3)nc12 223668502 SHNWYNBRVPIDQS-SNVBAGLBSA-N 299.403 2.821 0 1 CFAF C[C@@H](C[C@H]1COC(N)=N1)c1ccc(C(F)(F)F)cc1 149273234 UERYYXDHMLBIFZ-KWQFWETISA-N 272.270 2.913 0 1 CFAF C[C@H]1CC[C@H]([C@@H](C)C(=O)O)[C@H]2C=C(C(=O)O)CC[C@@H]12 96086155 KRUUDBOQHFKKKU-SNCMFLLNSA-N 266.337 2.790 0 1 CFAF in-vitro O=C(c1cccc(O)c1)c1nc2ccc(O)cc2s1 95556332 GXWWBPPCAWVCJU-UHFFFAOYSA-N 271.297 2.939 0 1 CFAF CCn1c(Nc2ccncc2F)nc2ccsc2c1=O 299822111 MLKUQBYTTYWBMW-UHFFFAOYSA-N 290.323 2.756 0 1 CFAF COC(=O)[C@@H]1c2c(nc3cccc4c3c2CC4)C1(C)C 587213036 FMEQSTSBMJFRQF-AWEZNQCLSA-N 267.328 2.881 0 1 CFAF Oc1nc(O)c2ccc(-c3cc(F)c(F)c(F)c3)nc2n1 587368277 MIMOCRRQSQMDNM-UHFFFAOYSA-N 293.204 2.520 0 1 CFAF C[C@@H]1CC=CC[C@H]1c1nc2cccc(C(N)=O)c2[nH]1 587967000 JQARIHFSJFSVRU-NXEZZACHSA-N 255.321 2.732 0 1 CFAF CN[C@H](c1cccnc1)c1nc2ccc(F)c(C)c2[nH]1 587222301 JRIAPMKYGJAZAJ-CQSZACIVSA-N 270.311 2.714 0 1 CFAF Cc1nc2nc(O)nc(O)c2cc1[C@@H]1C[C@H]2CC[C@H]1C2 587561477 QQOXCHKIDPMAHF-ATZCPNFKSA-N 271.320 2.648 0 1 CFAF Nc1cccc(O)c1-c1nc2cc(F)c(F)cc2[nH]1 587249827 KKCNMNZTXKDZAS-UHFFFAOYSA-N 261.231 2.796 0 1 CFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(C)=O 587867510 HAOCMZRLKBBLED-UHFFFAOYSA-N 285.225 2.633 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccc(O)cc1)[C@@H](C2)C3=O 587449974 KYTLPBKRFNEEJI-SUMWQHHRSA-N 282.295 2.890 0 1 CFAF C[C@H](c1ccccc1)c1cnc2nc(O)nc(O)c2c1 587562296 VNHAMUBKRKOFQI-SECBINFHSA-N 267.288 2.588 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C)[C@H](C)C1=O)O2 587405966 OPKABLJHIRDGBN-LSYCYVAJSA-N 273.332 2.526 0 1 CFAF Cc1nccc2[nH]c(CC(=O)OCc3ccccc3)nc12 587783006 VIODBBINHKJJIQ-UHFFFAOYSA-N 281.315 2.552 0 1 CFAF Cc1ccccc1Cc1c(N)nc(-c2ccccn2)nc1N 116191668 VPNZRAYBMCJAHG-UHFFFAOYSA-N 291.358 2.602 0 1 CFAF Cc1n[nH]c(Nc2ccc(C(F)(F)F)cc2)c1CO 13781029 ZANQTJNSVDTXBE-UHFFFAOYSA-N 271.242 2.973 0 1 CFAF CN1C[C@@H](c2cc3c(-c4ccccc4)n[nH]c3cn2)CC1=O 205250615 XUWDXPLCJLMHFD-LBPRGKRZSA-N 292.342 2.571 0 1 CFAF COc1ccc([C@@]2(CC(C)C)CCNC2)cc1OC 5923712 IJPVLZBIZWUIEY-MRXNPFEDSA-N 263.381 2.981 0 1 CFAF CC[C@@H](O)CNc1cc2c3c(cccc3c1)NC2=O 1857543270 WHZQETUJAWDHKP-LLVKDONJSA-N 256.305 2.588 0 1 CFAF CN(C)c1ccc(C(=O)Cn2c(=O)oc3ccccc32)cc1 1857605104 AFJYQHGWWPPSMD-UHFFFAOYSA-N 296.326 2.543 0 1 CFAF NCCCCN(CCCN)Cc1ccc2ccccc2c1 1650375 YNHWYDICHVVVJM-UHFFFAOYSA-N 285.435 2.730 0 1 CFAF C[C@@H]1CCCC=C[C@@H]2CCC[C@H]2[C@H](O)C=CC(=O)O1 2356427528 DDFOHHVPBOQQDW-KBUPBQIOSA-N 264.365 2.992 0 1 CFAF CC1(C)CCC[C@]2(C)C3=C(CC[C@@H]12)C(=O)N(CC(=O)O)C3 1911584125 KXXCYKIBRNYVAU-SUMWQHHRSA-N 291.391 2.836 0 1 CFAF CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@H]1CO 59588530 JXFVXBAQROLVFV-VZJVUDMVSA-N 262.305 2.603 0 1 CFAF biogenic,in-vitro COC(=O)c1sc(C)nc1-c1ccc(OC)c(OC)c1 103188623 GRMTYYKDYIMDBW-UHFFFAOYSA-N 293.344 2.922 0 1 CFAF Cc1c(CO)c(CO)c2n1[C@@H](c1ccccc1)SC2 64744366 YZIMIQPVZGYIAY-OAHLLOKOSA-N 275.373 2.575 0 1 CFAF CC(=O)Nc1ccc(C2=CCCn3c2cnc3C)cc1 28762887 OUKKNYZKYMVUPZ-UHFFFAOYSA-N 267.332 2.985 0 1 CFAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)NCC[C@]34C)[C@H]1CC[C@@H]2O 29417178 HSMQDJJGFZMMRG-ITAZNGGLSA-N 291.435 2.726 0 1 CFAF CC(C)N1C[C@H](F)[C@@H](OCc2nc3ccc(F)cc3[nH]2)C1 2356316886 ZOTYBZXFKSMEQT-FZMZJTMJSA-N 295.333 2.649 0 1 CFAF COc1ccnc(OC)c1C(=O)c1ccc2c(ccn2C)c1 28822254 VKDMAZDYPAKUCV-UHFFFAOYSA-N 296.326 2.822 0 1 CFAF CC(=O)O[C@@H](C)CCCC=CC[C@@H](O)C=CC=CC(=O)O 2356595330 CFFRJDASPYBVKV-DZGCQCFKSA-N 296.363 2.613 0 1 CFAF CC(=O)O[C@H](C=Cc1ccccc1)C[C@@H]1CC=CC(=O)O1 2356627025 TYMKVQRXYUDCIH-JKSUJKDBSA-N 286.327 2.893 0 1 CFAF O=C(Cc1cccc2sccc12)NCCN1CCCC1 29392633 OUXJBVNPPBKBJV-UHFFFAOYSA-N 288.416 2.656 0 1 CFAF CCOC(=O)[C@@]1(CCCc2ccccc2Cl)CO1 40466049 FVVLDKFNNRYYSM-CQSZACIVSA-N 268.740 2.995 0 1 CFAF C[C@H]1CC[C@H]2[C@@H](C=C[C@@H]3CO[C@](C)(O)C(=O)[C@@]32C)C1 49053759 PRGXUBLCBUSLOT-VHPSDLRFSA-N 264.365 2.539 0 1 CFAF CO[C@H]1[C@H]2CCN(CC3CC3)[C@H]1Cc1ccc(O)cc12 195227630 IUFBNRYLSSEFPR-XIRDDKMYSA-N 273.376 2.531 0 1 CFAF Cc1cnc(N2CCCC2)nc1NCCCOC(C)C 82202044 IIPXJCYOKNFRTF-UHFFFAOYSA-N 278.400 2.612 0 1 CFAF C[C@H]1C[C@@H]2CC3=C(CCC(=O)N3)[C@]3(C1)[C@H]2CCCN3C 145423004 HXJHQEWSHQXRPH-LKQDWFRTSA-N 274.408 2.681 0 1 CFAF CN(Cc1ccccc1)C[C@@H](O)C[C@H](O)c1ccccc1 95785087 VBJQDHGYODLBBC-ROUUACIJSA-N 285.387 2.603 0 1 CFAF COc1cc2c(cc1O)[C@@H](c1ccccc1)CC(=O)O2 238754165 PZZFRNARZSDSHQ-LLVKDONJSA-N 270.284 2.842 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@H]1CCO)O2 587405984 ZPPCILFPPAIOTI-YVEFUNNKSA-N 289.375 2.854 0 1 CFAF CCOCCOCc1nc2cc(C)c(F)cc2[nH]1 587778539 MFSYHGYZEIXGCM-UHFFFAOYSA-N 252.289 2.564 0 1 CFAF COc1cc2c3c(c1)O[C@@H](CCCC[C@H](C)O)[C@@H](C2)C3=O 587451784 RJVBZPVLVMYIEJ-GDLCADMTSA-N 290.359 2.752 0 1 CFAF Oc1nncc2nc(-c3c(Cl)[nH]c4ccccc34)[nH]c12 587086655 BRZQSHMDTGFZEZ-UHFFFAOYSA-N 285.694 2.860 0 1 CFAF Fc1ccc2[nH]cc(Cc3nc4ncc[nH]c-4n3)c2c1 587175620 WIMMXZXOHWRSFY-UHFFFAOYSA-N 267.267 2.516 0 1 CFAF Oc1nccc2nc(-c3ccc(Cl)nc3F)[nH]c12 587178156 SINPPIPTPAKDFX-UHFFFAOYSA-N 264.647 2.518 0 1 CFAF Nc1cccc(O)c1-c1nc2cc(Cl)cnc2[nH]1 587250832 SJKMRSPTRLDYBX-UHFFFAOYSA-N 260.684 2.566 0 1 CFAF O=S(=O)(/C=C/c1ccccc1F)c1ccccn1 1857606800 KXFVCGUHFLJPAB-CSKARUKUSA-N 263.293 2.665 0 1 CFAF c1coc(-c2nnc(Cc3nc4ccccc4[nH]3)o2)c1 1772639723 KKBZFKFELQABBZ-UHFFFAOYSA-N 266.260 2.797 0 1 CFAF COc1cccc(-c2cc(=O)c3cc(N)ccc3[nH]2)c1 5503289 KAMPMGHHVYJNFF-UHFFFAOYSA-N 266.300 2.786 0 1 CFAF CN(C)C1(c2cccc(O)c2)CCC2(CC1)OCCCO2 27092147 XWCGVLITHHOTAL-UHFFFAOYSA-N 291.391 2.856 0 1 CFAF c1ccc(C2=NCc3n[nH]nc3-c3ccccc32)cc1 27195745 QNQHIWFLURTUTI-UHFFFAOYSA-N 260.300 2.823 0 1 CFAF CN(C)C(=O)Oc1nsnc1-c1ccccc1Cl 6426115 HIBJOZRCQRZAPY-UHFFFAOYSA-N 283.740 2.919 0 1 CFAF c1coc([C@H]2N=c3ccccc3=C3Nc4ccccc4N32)c1 100535957 RZSPDNLYSLRSIB-SFHVURJKSA-N 287.322 2.609 0 3 CFAF Nc1ccc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)cc1 28469718 NCDHATJBLQVREM-UHFFFAOYSA-N 287.344 2.551 0 1 CFAF COCCCNc1ccn2nc(-c3ccccc3)cc2n1 61895445 VXVZDRWXJKAYPO-UHFFFAOYSA-N 282.347 2.845 0 3 CFAF CC(C)OC(=O)c1cc2c(c[n+]1C)[nH]c1ccccc12 26671491 ACQJPHKCPQJVHC-UHFFFAOYSA-O 269.324 2.711 0 1 CFAF CC1=CCCC(CO)=C[C@@H]2OC(=O)[C@@H](C)[C@H]2CC1 2356745195 JWJOVYZAXACWBK-YUTCNCBUSA-N 250.338 2.603 0 1 CFAF c1cc2c(cc1OCCCN1CCCCC1)CCN2 34646427 FZNOUKDDPFWMCE-UHFFFAOYSA-N 260.381 2.909 0 1 CFAF C/C=C1/CN2CC[C@@]34C(=Nc5ccccc53)[C@@H](CO)[C@H]1C[C@H]24 85835314 PKSXQJQSOYBVHM-CGXYZVAISA-N 294.398 2.673 0 1 CFAF O=C(O)C[S@](=O)CCc1ccc(-c2ccccc2)cc1 45287866 JPUWBNMOSGBVRW-FQEVSTJZSA-N 288.368 2.729 0 1 CFAF in-vivo CO[C@]1(C)CC[C@H](C(C)C)C2=C1CC[C@@](C)(O)[C@@H]2O 238787160 NWFRPVFXEBPUSC-RAEVTNRLSA-N 268.397 2.660 0 1 CFAF COC(=O)c1cccc2nc3cccc(C)c3nc12 143504205 IBAAXXHGBLEHFK-UHFFFAOYSA-N 252.273 2.878 0 1 CFAF C[C@](O)(Cn1cncn1)c1ccc(-c2ccccc2)cc1 299871630 YXLIEYSFVSCWQA-KRWDZBQOSA-N 279.343 2.853 0 1 CFAF CCn1cc(-c2ccc(OC)cc2)c2c(N)ncnc21 473081794 DPNSRAHFHFCVHE-UHFFFAOYSA-N 268.320 2.709 0 1 CFAF N=C(N)c1ccc2nc(-c3ncccc3Cl)[nH]c2c1 587064540 CRDOLMJWGZVPHN-UHFFFAOYSA-N 271.711 2.562 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H]3CC[C@H](C1)N3C)O2 587402359 ZNPGIRQCAJPIPV-GTKHYJCHSA-N 286.375 2.538 0 1 CFAF Cc1ccc(CCc2nc3ccc(O)cc3[nH]2)cc1N 587250638 OIUUOHVYUGPUST-UHFFFAOYSA-N 267.332 2.944 0 1 CFAF Brc1c[nH]c2nc(C3=CCCC3)nc-2n1 586883123 HHMAQJZRDDYPKA-UHFFFAOYSA-N 265.114 2.634 0 1 CFAF Cc1nccc2[nH]c(COc3ccc(F)cc3)nc12 587168943 OKLJYCMMUFMTAL-UHFFFAOYSA-N 257.268 2.984 0 1 CFAF Cc1cnc(Cl)c2[nH]c(C(C)(C)SCC(=O)O)nc12 586958415 FPUMVWOBKUDMBL-UHFFFAOYSA-N 299.783 2.973 0 1 CFAF NC(=O)c1cccc2nc(-c3ccc(Cl)nc3F)[nH]c12 587177664 SLCFNFQUNBZOLV-UHFFFAOYSA-N 290.685 2.516 0 1 CFAF CC(C)CNC(=O)/C=C/C=C/CC[C@@H]1C=C[C@H](C)O1 13373350 ZXHACYOKQOFDTK-NHYJDRDISA-N 263.381 2.995 0 1 CFAF COC(=O)C1=C(c2ccc(Cl)nc2)C[C@H]2CC[C@@H]1N2C 13519489 BNVFUBQIRRIJTF-PWSUYJOCSA-N 292.766 2.528 0 1 CFAF O=c1c2c([nH]n1CCOc1ccc3ccccc3c1)CCC2 169721419 ILWPUWFFYSLOPA-UHFFFAOYSA-N 294.354 2.897 0 1 CFAF O=C(O)CCc1ccc2c(c1)C(=O)c1ccccc1CO2 167683441 WKGFDLJGSLFCFW-UHFFFAOYSA-N 282.295 2.827 0 1 CFAF CC(C)[C@H]1CC[C@@H](CO)c2c(O)cc(C(=O)O)cc21 1857554638 YJDRZMWDCQFTOS-GXSJLCMTSA-N 264.321 2.700 0 1 CFAF COc1ccc(-c2noc(C)c2C(=O)NC(C)C)cc1 774365 DTWZXPPEEBUZAQ-UHFFFAOYSA-N 274.320 2.797 0 1 CFAF O=C(c1cc2ccccc2o1)n1nnc2ccccc21 3248042 MFBCYXSIFVXPAP-UHFFFAOYSA-N 263.256 2.866 0 3 CFAF COc1cc2c(c(OC)c1OC)C(=O)[C@H]1O[C@H]2[C@H](C)[C@@H]1C 2356404099 CTOMBICFHOIYRL-NENOFTIXSA-N 292.331 2.621 0 1 CFAF c1ccc(CNc2nnc(-c3c[nH]c4ncccc34)o2)nc1 103245736 UGLRFPBHGYUHLU-UHFFFAOYSA-N 292.302 2.620 0 1 CFAF C[C@@]12N[C@@](C)(c3ccccc3[C@@H]1O)c1ccccc12 28758938 IWEDQKLUQZURMV-ULQDDVLXSA-N 251.329 2.816 0 1 CFAF CC(=O)O[C@@H]1CC[C@](C)(O)[C@@H]2C[C@@](O)(C(C)C)CC[C@]12C 2356747768 VWSRUUYZMKAPCQ-UHDSXZAQSA-N 298.423 2.656 0 1 CFAF CC(C)=CC(=O)Nc1c2sscc-2n(C)c1=O 3596098 JFEBCAJATWCFMT-UHFFFAOYSA-N 268.363 2.518 0 1 CFAF biogenic COC(=O)[C@H]1CNCC[C@H]1c1ccc2ccccc2c1 36270619 SFKHGLPGUQXRDS-HOTGVXAUSA-N 269.344 2.706 0 1 CFAF O=C(O)c1ccc2c(c1)CCc1ccccc1C2=O 39241987 WBRWZTHVDXXBRQ-UHFFFAOYSA-N 252.269 2.714 0 1 CFAF CNC1=C(c2ccccc2)[C@H](c2ccccc2)OC1=O 40394119 IOKJBAVMUSSKPY-INIZCTEOSA-N 265.312 2.915 0 1 CFAF Cc1ccc(-c2nc3ccccc3c(=O)n2CCCN)cc1 49808051 SJWHTLUVRIOWQK-UHFFFAOYSA-N 293.370 2.721 0 1 CFAF O=c1c2cccc(F)c2sn1-c1cccc(O)c1 72176593 CULCLVLIEPNXCD-UHFFFAOYSA-N 261.277 2.897 0 1 CFAF COCCCNc1cc(-c2ccc(F)cc2)ncn1 82160798 RPXYOAIZMGHTOQ-UHFFFAOYSA-N 261.300 2.731 0 1 CFAF FC(F)Oc1ccccc1[C@@H]1Cc2nccn2C1 40881025 DCZFXJLVCNQIPP-SECBINFHSA-N 250.248 2.824 0 1 CFAF Nc1cc2nc(COC/C=C\c3ccccc3)[nH]c2cc1N 587781933 ZJDKJBKDMNNHOM-DAXSKMNVSA-N 294.358 2.957 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C3CC3)nn1C)O2 587390832 JIWACRRMFONUCS-MRXNPFEDSA-N 297.358 2.895 0 1 CFAF COC(=O)c1cccc2nc([C@@H]3CCCC(=O)CC3)[nH]c12 586884956 KHEWVVNLOHYUNM-SNVBAGLBSA-N 286.331 2.966 0 1 CFAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H]1CCCN1)CC2=O 587487559 WFOPXVVLIYIWCZ-DOTOQJQBSA-N 289.375 2.821 0 1 CFAF CCCc1c(O)ccc2c1O[C@@](C)(c1cn[nH]c1)CC2=O 587482881 JZPATKAHKYOEED-MRXNPFEDSA-N 286.331 2.948 0 1 CFAF O[C@@H](c1nc2nc(Cl)c[nH]c-2n1)c1ccccc1Cl 587059745 UZMRRBRJHWFTIZ-SECBINFHSA-N 295.129 2.693 0 1 CFAF CC[C@H](C)n1cc([C@@H]2NCCc3c(C(=O)O)cccc32)cn1 963119447 FCSRYDVBLXBWDP-ZBEGNZNMSA-N 299.374 2.787 0 1 CFAF COc1ccc(/C=C/C(=O)NC(=O)c2ccccc2)cc1 215985440 DLLUCONKHYMOAE-FMIVXFBMSA-N 281.311 2.665 0 1 CFAF O=C1c2ccccc2C[C@H]2c3cc4c(cc3CCN12)OCO4 15265795 PUJMLVRTJXBOER-HNNXBMFYSA-N 293.322 2.711 0 1 CFAF Cn1cc(-c2cnc3cnc(-c4ccccc4)cn23)cn1 1857615228 RDCZOBISJMXWLB-UHFFFAOYSA-N 275.315 2.797 0 1 CFAF CCc1cc(NCc2nc3ccccc3[nH]2)c(=O)[nH]c1C 5887168 LLLZHKVKPADXOE-UHFFFAOYSA-N 282.347 2.734 0 1 CFAF Cc1cc2n[nH]c(=O)n2c2cc(-c3ccoc3)ccc12 58590545 VSKNWDFPPWAJSA-UHFFFAOYSA-N 265.272 2.744 0 1 CFAF C[C@]12C=CC=C3CO[C@H](c4c(O)ccc(O)c4C1)[C@H]32 2356406254 RINQNJVHAUPFKC-XHSDSOJGSA-N 256.301 2.844 0 1 CFAF CCOc1cccc(C(=O)c2ccc3n2CC[C@H]3C(=O)O)c1 25998341 VJLIYMURHXDXEM-CYBMUJFWSA-N 299.326 2.690 0 1 CFAF C[C@@H]1C(=O)O[C@H]2[C@@H]1CC[C@@H](C)[C@H]1CCC(=O)[C@@]21C 2356449662 UAISWGZBKOGPML-HAEHRREDSA-N 250.338 2.579 0 1 CFAF CC(=O)O[C@@H]1C[C@](C)(CO)[C@@H]2CCc3ccoc3[C@]2(C)C1 2356489244 PYULQCRCTVJQMH-YALNPMBYSA-N 292.375 2.824 0 1 CFAF CC(=O)O[C@H](CC[C@H](C)[C@H]1C=C[C@@](C)(O)CC1)C(C)(C)O 2356542179 MRRPERXTYAKYME-MKVSYHDVSA-N 298.423 2.823 0 1 CFAF CC(C)=C1C[C@@H]2[C@@H](CC[C@]2(C)O)C(C)(C)OC1=O 2356583281 PJLSRZWITOHTEG-JMSVASOKSA-N 252.354 2.826 0 1 CFAF CN(C)C=C(C(=O)Nc1ccccc1F)C(F)(F)F 2356841082 NEPJKMSWUKXUTL-UHFFFAOYSA-N 276.233 2.772 0 1 CFAF COc1c(C)c2c(c(O)c1CC=C(C)C)C(=O)OC2 36338573 NPMVXPUWUHWDSQ-UHFFFAOYSA-N 262.305 2.888 0 1 CFAF Cc1ccc2nnc(-c3ccccc3Br)n2n1 82060429 RFSHFTWRLJFGHN-UHFFFAOYSA-N 289.136 2.862 0 1 CFAF CCCN1CCCC[C@H]1c1nc2c(C(N)=O)cccc2[nH]1 40379639 ZAYFJAYEEOETOQ-ZDUSSCGKSA-N 286.379 2.599 0 1 CFAF Cc1c(NC(N)=O)cccc1-c1nc2cncc(C)c2[nH]1 587240179 RBXLQKIEKHVTIY-UHFFFAOYSA-N 281.319 2.732 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](COCC)CC2=O 587484042 XHLNCOKTZPHLMG-JTQLQIEISA-N 264.321 2.715 0 1 CFAF C[C@H](CCC(=O)O)Cc1nc2ccnc(Cl)c2[nH]1 587961275 QXYZATYAXZLOSK-SSDOTTSWSA-N 267.716 2.655 0 1 CFAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2c[nH]c(=N)[nH]c-2n1 587951951 KLIKVXFCIFVFRQ-SCVCMEIPSA-N 289.383 2.763 0 1 CFAF COc1cncc(N)c1-c1nc2c(Cl)cccc2[nH]1 587253010 XQAXJGBQFLLSHR-UHFFFAOYSA-N 274.711 2.869 0 1 CFAF COc1nccc2nc(/C=C\c3ccc(N)cc3)[nH]c12 587251305 BSZRICFGIXEJSZ-DAXSKMNVSA-N 266.304 2.719 0 1 CFAF CCN(CC)C(=O)C[C@@]1(C)NCCc2cc(C)c(F)cc21 962095101 VHGHOXLSHXAIDM-QGZVFWFLSA-N 292.398 2.754 0 1 CFAF Cc1ccnc2c1CCN[C@@]21CCc2ccccc21 963094749 ZMFLUGRROLESON-QGZVFWFLSA-N 250.345 2.726 0 1 CFAF COc1ccncc1[C@]1(C)NCCc2ccc(F)c(C)c21 962297139 IKERRMKHQNGMGE-KRWDZBQOSA-N 286.350 2.947 0 1 CFAF CN1CCc2c(Br)cccc2[C@@]1(C)CCCO 963279898 KTZIDBDSCAJLDC-CQSZACIVSA-N 298.224 2.925 0 1 CFAF Cc1nc2c(oc3ccc(Br)cc32)c(=O)[nH]1 5129146 SDHAWFILGYKVMN-UHFFFAOYSA-N 279.093 2.740 0 1 CFAF Oc1cccc(Cn2nc(-c3ccccc3)nc2S)c1 13536801 QOXJKCYHEZRWSE-UHFFFAOYSA-N 283.356 2.988 0 1 CFAF C[C@@H]1C(=O)O[C@@H]2[C@H]1CC[C@]1(C)CCC(=O)[C@H](C)[C@H]21 3895652 BXRGGUXPWTWACZ-FBURBDLBSA-N 250.338 2.579 0 1 CFAF in-man O=C(CCSCCc1ccccn1)Nc1nccs1 4908785 NJEHTVBIWMOPAO-UHFFFAOYSA-N 293.417 2.843 0 3 CFAF Cc1ccc2cc([C@H](CCN(C)C)n3ncnn3)ccc2c1 58581606 SWUGBRBZRRPPED-KRWDZBQOSA-N 295.390 2.676 0 1 CFAF CN(C)Cc1cn(-c2ccnc3cc(Cl)ccc23)nn1 103270083 AMMPERPLKSMDOE-UHFFFAOYSA-N 287.754 2.531 0 1 CFAF CC1=C[C@@H]2OC(=O)[C@H](C)[C@@H]2C[C@@H](O)C(C)=CCC1 2356515254 IEWXWMUMAOWZMT-RQJABVFESA-N 250.338 2.602 0 1 CFAF C=C(O[C@@H]1C[C@H]2CC[C@@H]([C@@H]1C(=O)O)N2C)c1ccccc1 2356533582 KZFBHCCLJSAHBQ-QXSJWSMHSA-N 287.359 2.610 0 1 CFAF Nc1ccccc1CNCCCCNCc1ccccc1N 28260635 WOKJQXWETIZPJA-UHFFFAOYSA-N 298.434 2.511 0 1 CFAF COC(=O)/C=C/[C@@H]1[C@@H](c2ccccc2)C[C@H]2CC[C@@H]1N2C 36177297 OMLSVYSQLRWXNO-YHJZKQIASA-N 285.387 2.982 0 1 CFAF COc1cc2c(cc1C)NC(=O)/C2=C/c1cccnc1 33917633 SXDBOMRCCADVJU-NTUHNPAUSA-N 266.300 2.891 0 1 CFAF O=C(NC1CCCCC1)c1coc2ccccc2c1=O 72106583 MSXWVKUAVJKWRK-UHFFFAOYSA-N 271.316 2.856 0 1 CFAF Cc1cccc(S(=O)(=O)[C@H]2CCCCCC2=O)c1C 40976655 VXKBZIZBZMKFLU-HNNXBMFYSA-N 280.389 2.979 0 1 CFAF Nc1ccc2nccc(SC3(C(=O)O)CCC3)c2c1 220121792 ZNJIEBBHGNGOJB-UHFFFAOYSA-N 274.345 2.916 0 1 CFAF CC(C)C1=C2[C@H](O)[C@@](C)(O)CC[C@H]2[C@@](C)(N=S)CC1 84597163 ZCUIYTSIBRUOPC-UNQGMJICSA-N 283.437 2.744 0 1 CFAF CC[C@@]1(C)CC(=O)N(Nc2ccc(Cl)cc2)C1=O 40412421 ZAAGRGHMUAODIO-ZDUSSCGKSA-N 266.728 2.842 0 1 CFAF O=C1NC(=O)c2cc(Sc3ccccc3)ccc21 95579045 MTDTVBKMGPNHPG-UHFFFAOYSA-N 255.298 2.721 0 1 CFAF Oc1nc(O)c2ccc(-c3cc4cccc(O)c4o3)nc2n1 587560779 KPNGQLZENVWSJO-UHFFFAOYSA-N 295.254 2.555 0 1 CFAF Cc1cc2nc(-c3cccc(N)c3C(=O)O)[nH]c2cc1F 587248507 RHVHKAIRFCMYPS-UHFFFAOYSA-N 285.278 2.958 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1cccc(F)n1)[C@@H](C2)C3=O 587429688 WIMNHRMTTAPGEP-QFYYESIMSA-N 285.274 2.718 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C)N(C)C[C@H]1C)O2 587396566 UHLHSMFNRRVLIO-QFSBIZTOSA-N 288.391 2.641 0 1 CFAF N=c1[nH]ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586893874 ZBHSDAVBMVKLRJ-DJQAVVSRSA-N 268.364 2.838 0 1 CFAF C[C@H](F)[C@H](N)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587123956 LPMBEAJBJFPHPK-SUZIUWRMSA-N 263.650 2.852 0 1 CFAF Fc1cccc(C[C@H]2NCCc3nc4ccccn4c32)c1 962984739 NLYSZORNTLBMPP-OAHLLOKOSA-N 281.334 2.903 0 1 CFAF Oc1ccc(-c2nnc(Cc3nc4ccccc4[nH]3)o2)cc1 1772648348 KIYNHUKBQAQLPO-UHFFFAOYSA-N 292.298 2.909 0 1 CFAF O=C(Nc1ccc(-c2ccsc2)cn1)c1cncnc1 1772578077 BAFFVRLHBOUDKW-UHFFFAOYSA-N 282.328 2.852 0 1 CFAF Fc1ncc([C@@H]2C[C@H]3CC[C@H]2N3)cc1-c1ccncc1 1772580768 CEWXULHLBUPCIU-VNHYZAJKSA-N 269.323 2.891 0 1 CFAF CNc1ccc([S@](=O)Nc2ccc(OC)cc2)cc1 5549856 RBZRYEPFMZXTEW-LJQANCHMSA-N 276.361 2.872 0 1 CFAF C[C@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 13585584 XGMNRALXOWECNG-LBPRGKRZSA-N 282.343 2.828 0 1 CFAF NC(=O)c1ccc2c(-c3cccc(C(N)=S)c3)c[nH]c2c1 1857614603 QTZMKNXMEIBFBJ-UHFFFAOYSA-N 295.367 2.568 0 1 CFAF Cc1cc(Cl)cc(/C=N/NC(=S)NC(C)(C)C)c1O 5724884 RVHWMGZDFISTBI-VIZOYTHASA-N 299.827 2.951 0 1 CFAF CC(C)N(C)C(=O)c1ccc([C@H]2CCCN2)s1 20777586 JFVGOXATHWZVBP-SNVBAGLBSA-N 252.383 2.653 0 1 CFAF c1ccc(CN[C@H]2[C@H]3[C@H]4C[C@@H]5[C@H]6[C@H](C[C@H]53)[C@@H]2[C@@H]64)cc1 101182190 ZWCQZHOWEDKJBN-OWNICDOYSA-N 251.373 2.923 0 1 CFAF Cc1ccc(C2=CC(NC(C)(C)C)=NCCN2)cc1 101099158 IFEOHSTXNWWLJY-UHFFFAOYSA-N 257.381 2.726 0 1 CFAF CN1[C@H]2CC[C@@H]1CC(NC(=O)n1ccc3ccccc31)C2 29553919 NIFHKFMTUGWEOO-GOOCMWNKSA-N 283.375 2.824 0 1 CFAF CCOC(=O)C1=C(O)/C(=C\c2ccc(OC)cc2)N=C1C 103522996 SCSVTXKUWSGYRW-UKTHLTGXSA-N 287.315 2.886 0 1 CFAF COC(=O)C1=C(c2ccc(Cl)cc2)[C@H]2CC[C@H]1O2 101095057 QAWMAJZYTBWZOZ-GHMZBOCLSA-N 264.708 2.828 0 1 CFAF O[C@H](COc1ccc2ccccc2c1)[C@H]1CCCCN1 26262180 MJYNIIZCJHUPFT-IAGOWNOFSA-N 271.360 2.722 0 1 CFAF Cc1sc2ncc(Cl)cc2c1C1=NCCN1 28871794 BGHIEZABPLMCBR-UHFFFAOYSA-N 251.742 2.608 0 1 CFAF O[C@H](c1ccc2c(c1)OCO2)c1ncc(-c2ccccc2)[nH]1 61929134 CBSNGUDENDYGNT-MRXNPFEDSA-N 294.310 2.887 0 3 CFAF Cn1nnc2ccc(-c3ccccc3Cl)c(CN)c21 29125279 QGOVQXSWCMDZOW-UHFFFAOYSA-N 272.739 2.747 0 1 CFAF CC1=CCC[C@H](C)[C@H](C)OC(=O)C=C[C@@](C)(O)CC[C@H]1O 2356587342 IDGNDQYOCKRQMV-FAYQHZLMSA-N 296.407 2.743 0 1 CFAF CC(=O)OC=C(C)[C@@H]1CC[C@@H](C)[C@@H]1COC(C)=O 2356608764 UGSHXVXFFPLXBZ-IIMNLJJBSA-N 254.326 2.679 0 1 CFAF CO[C@](C)(CCCC(C)(C)O)c1ccc(C(=O)O)cc1O 2356850648 PSANMIMATJUJAM-MRXNPFEDSA-N 296.363 2.893 0 1 CFAF CS(=O)(=O)c1cc(O)ccc1/C=C/c1ccc(O)cc1 35964112 KZZIDNAUUIXMTD-GORDUTHDSA-N 290.340 2.672 0 1 CFAF O=C1NC(=O)/C(=C/c2ccc(-c3ccccc3O)o2)S1 35962304 OCDGTZUIGBFFHU-GHXNOFRVSA-N 287.296 2.976 0 1 CFAF C/C=C(/C)C(=O)Oc1ccc(/C=C/CO)cc1OC 139149485 LBTSUNDGPKYVGX-AHJSKDGKSA-N 262.305 2.572 0 1 CFAF Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1NC1CCCC1 82202936 VFLALJHMKDFYKT-STQMWFEESA-N 290.411 2.753 0 1 CFAF C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CN2CC1CC1 84602177 LSQSRZOMUOOWDV-NVGVWMPQSA-N 257.377 2.936 0 1 CFAF Cc1cccc(C)c1NC(=O)[C@]1(C)CCC(=O)N1C1CC1 199397338 QKBAFAGUIOUNGC-KRWDZBQOSA-N 286.375 2.785 0 3 CFAF CN(c1ccc(F)cc1)c1nc(=O)c2cccnc2s1 148296111 DSOBTJWTXOYTTI-UHFFFAOYSA-N 287.319 2.959 0 1 CFAF Cc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)o1 587652345 PKOFADGJFCZLFN-UHFFFAOYSA-N 288.690 2.640 0 1 CFAF CCn1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C 587392201 RVFZQNZUJDVIQI-HNNXBMFYSA-N 285.347 2.809 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(C[C@H]4CC(=O)C[C@H]4C1)[C@@H](C2)C3=O 587447398 RJDADFCLZWXOLA-WZTYKQCMSA-N 298.338 2.571 0 1 CFAF C=CC(=O)Nc1ccc(-c2nc3cnc(OC)cc3[nH]2)cc1 587244296 OBTAJTIQDXLCSS-UHFFFAOYSA-N 294.314 2.758 0 1 CFAF COc1c(F)ccc(F)c1-c1nc2ccnc(OC)c2[nH]1 587132349 CAFWGPKHPJSNNB-UHFFFAOYSA-N 291.257 2.920 0 1 CFAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C 587867934 FDZCVJLBTIBQGN-UHFFFAOYSA-N 257.215 2.510 0 1 CFAF COc1cc2nc(C[C@@H]3CCC(=O)[C@@H]3C)[nH]c2cc1F 587963742 RYULHRAQHKPGQC-BDAKNGLRSA-N 276.311 2.868 0 1 CFAF O=C(O)c1cccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c12 586904869 WDHHBJSIKHWPAH-GXTWGEPZSA-N 294.310 2.830 0 1 CFAF COc1cc2c3c(c1)O[C@]1(CCc4c[nH]cc41)[C@@H](C2)C3=O 587437132 DHBRWLXKAMGERM-YVEFUNNKSA-N 281.311 2.612 0 1 CFAF CCCCNc1nc(-c2ccccn2)ncc1OC 68267933 IUIZQOCEIORAGL-UHFFFAOYSA-N 258.325 2.759 0 1 CFAF O=C(/C=C/c1ccc(O)cc1O)Nc1ccccc1 1857555764 UALMQFYDPGPLIO-VQHVLOKHSA-N 255.273 2.750 0 1 CFAF Cc1ccncc1N1CCN(c2ccc3[nH]cnc3c2)C1=O 150001536 FJYFTSQTTQZYAD-UHFFFAOYSA-N 293.330 2.713 0 1 CFAF O=c1oc2cccn2c2ccc(-c3cccnc3O)cc12 1772621256 SOGTUALAGBMUIU-UHFFFAOYSA-N 278.267 2.813 0 1 CFAF C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc2c(n1)CCCCC2 5148772 ZMUAOXACVACFQF-UKRRQHHQSA-N 289.423 2.847 0 1 CFAF Cc1ccc(C(C)(C)CCN2CCCN(C)CC2)o1 19359873 AFCPIXSGHQSACX-UHFFFAOYSA-N 264.413 2.893 0 1 CFAF CC[C@H](C)Nc1cc(NC(=O)c2ccccc2)ncn1 169303756 JWYHOJDQIHIIKH-NSHDSACASA-N 270.336 2.939 0 1 CFAF CN(C)C(=O)c1cccc(-c2cc(F)c(O)c(C=O)c2)c1 169699669 SRKBSPLUDJJDCE-UHFFFAOYSA-N 287.290 2.713 0 1 CFAF COc1cc([C@@H]2CC(=O)Nc3ccccc32)ccc1O 1857600274 RHPCAYPMCKASQM-LBPRGKRZSA-N 269.300 2.875 0 1 CFAF Cc1c(CC(N)=O)c2ccc(O)cc2n1Cc1ccccc1 13445730 ZHPCKTWHEJVDEL-UHFFFAOYSA-N 294.354 2.731 0 1 CFAF CC[C@@H]1CC(=O)C[C@]23CCN(C)[C@@H](Cc4ccc(O)cc42)[C@@H]13 100802914 SZIGYSMMOMTFKG-YJQAKTFBSA-N 299.414 2.896 0 1 CFAF CCC[C@H]1[C@@H]2Cc3cccc4c3[C@]1(CCN2C)CO4 29562444 ODTLZTKCGUVCBC-GRDNDAEWSA-N 257.377 2.993 0 1 CFAF CNC(=S)N1N=C(c2ccco2)C[C@@H]1c1ccccc1 28707028 JIXOBUFYVFIOGC-CYBMUJFWSA-N 285.372 2.935 0 1 CFAF Cc1ccc(C(=O)Cn2c3c(oc2=N)CCCC3)cc1 27557039 QXWCCXPDOYHXKK-UHFFFAOYSA-N 270.332 2.631 0 1 CFAF CC1=C[C@@H]2OC(=O)[C@H](C)[C@@H]2CCC(CO)=CCC1 2356674410 HFQLMAXPTJTMQQ-XBFCOCLRSA-N 250.338 2.603 0 1 CFAF CN1CC(=O)N(c2c(Cl)cccc2Cl)C1=S 27750410 CRPWYAGBJJFHNZ-UHFFFAOYSA-N 275.160 2.557 0 1 CFAF O=P(O)(O)OCCCCCCCCCCCCO 66156892 QDHWEQVVRFFGKU-UHFFFAOYSA-N 282.317 2.989 0 1 CFAF in-vitro CC1=C2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@@](C)(O)[C@@]2(C)CC1 2356735872 KPANTTZNWNQAGE-AYULTIFVSA-N 264.365 2.826 0 1 CFAF COc1cc2cc[n+](C)c3c2c(c1O)-c1ccccc1C3=O 34370195 HHOMHCYDRKYWBL-UHFFFAOYSA-O 292.314 2.590 0 1 CFAF C[C@@H](N)[P@@](=O)(O)Oc1ccc(C(C)(C)C)cc1 49070672 NFOAEALZJIJOSJ-VIFPVBQESA-N 257.270 2.853 0 1 CFAF COc1ccc2c(c1)[C@H](CNC(N)=O)Cc1ccccc1C2 219042430 DIXNMQKCFFPTKU-HNNXBMFYSA-N 296.370 2.594 0 1 CFAF in-vitro O[C@@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccccc1 82158396 AOUFLDFQEMUYCL-IRXDYDNUSA-N 279.343 2.796 0 1 CFAF Cc1nc2cc(OCc3cc(C(=O)O)no3)ccc2s1 45252887 YVKABHUUVVKGJT-UHFFFAOYSA-N 290.300 2.870 0 1 CFAF O=C1C2=Nc3ccncc3CN2c2ccc(Cl)cc21 95605553 STEWICZUHKIILH-UHFFFAOYSA-N 269.691 2.982 0 1 CFAF CC[C@H](C)[C@@H]1N=C(C)c2ccc(C(=O)O)cc2NC1=O 473153890 CRYJVXHDSYVRJG-SDBXPKJASA-N 274.320 2.561 0 1 CFAF CC[C@@H]1OCCC[C@H]1c1nc2c(S)nc(S)nc2[nH]1 586910220 GYJXJSSLWQBPSJ-RQJHMYQMSA-N 296.421 2.603 0 1 CFAF N[C@H](N=O)c1ccc2nc([C@H]3CCCC(=O)CC3)[nH]c2c1 586883641 CUKBDQATNNXDLE-LKFCYVNXSA-N 286.335 2.903 0 1 CFAF O=C1O/C(=C/c2nc3ccc(O)cc3[nH]2)c2ccccc21 586905774 BQVCMVQLHFEYPO-RIYZIHGNSA-N 278.267 2.937 0 1 CFAF Oc1c(F)cc(F)cc1-c1nc2nc(Cl)c[nH]c-2n1 587134967 YJGUBIZVOWQHDZ-UHFFFAOYSA-N 282.637 2.609 0 1 CFAF N=c1ccc(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)c[nH]1 587254502 KGNRMFMONMMEKZ-UHFFFAOYSA-N 292.264 2.980 0 1 CFAF CCn1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cn1 587391193 LLDGWQFJYVJOQA-INIZCTEOSA-N 285.347 2.674 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(Cc1cccnc1)[C@@H](C2)C3=O 587435246 CQSUSTIFMDPSBI-KSSFIOAISA-N 295.338 2.839 0 1 CFAF Cc1cccc(OCc2nc3c(N)ccnc3[nH]2)c1C 587564544 VUCKXAGBYQXBMI-UHFFFAOYSA-N 268.320 2.736 0 1 CFAF C=C1Nc2ccccc2C(=O)N1c1ccccc1C(=O)O 957725166 MFBDOTDEBNRGIQ-UHFFFAOYSA-N 280.283 2.928 0 1 CFAF CCCC[C@@H](O)/C=C(C)/C=C/C=C\C(=O)N1CCCC1=O 11616303 ZYPGADGCNXOUJP-FMHFZIMOSA-N 291.391 2.745 0 1 CFAF COc1ccc([C@@H]2OC(c3ccccc3)=NN2C(C)=O)cc1 15785621 NKZWLJVWLPEUEC-KRWDZBQOSA-N 296.326 2.934 0 1 CFAF NCCn1cc(-c2cccc(C(N)=S)c2)c2ccccc21 1857603807 KSZIKWZBCSHIOA-UHFFFAOYSA-N 295.411 2.901 0 1 CFAF C[C@]12CO[C@]3(C(=O)Nc4nccs4)C[C@@H]1CC[C@]23C 100489032 BTWJITAQMDZBHX-WTDIUWLJSA-N 278.377 2.677 0 1 CFAF O=C(NCc1cccc(O)c1)c1cc2cc(O)ccc2[nH]1 27552714 DMLARLNVEPLLMB-UHFFFAOYSA-N 282.299 2.509 0 1 CFAF CCOC(=O)[C@@H]1[C@@H]2C=C[C@@H](CC2)N1c1ccccc1 59920356 NLRFKXAWPLOXQO-SNPRPXQTSA-N 257.333 2.773 0 1 CFAF Nc1ccc(F)cc1C[S@](=O)c1nc2ccccc2[nH]1 28226651 LGCPYLIELKMFPI-HXUWFJFHSA-N 289.335 2.592 0 1 CFAF Cc1ccc(-n2[nH]c(C)c3c(C)cc(=O)nc2-3)cc1 100524800 XWPQELWWQZFOQR-UHFFFAOYSA-N 253.305 2.591 0 3 CFAF COC1(OC)CC[C@@]2(C)O[C@H]1[C@@H](c1ccccc1)O2 105478192 IWPNHSXUSSCPPK-HZSPNIEDSA-N 264.321 2.642 0 1 CFAF Clc1ccccc1-c1nc(CN2CCOCC2)co1 64399348 LOUWSYXUQMMVLM-UHFFFAOYSA-N 278.739 2.827 0 1 CFAF COc1ccc(OC)c([C@H]2NCCc3cc(O)ccc32)c1 3727918 RPLKKBMVAFFELN-KRWDZBQOSA-N 285.343 2.645 0 1 CFAF biogenic CNC(=N)c1ccc(N2CCN(c3ccccc3)CC2)cc1 73199170 MSKNMCWDTFRLBF-UHFFFAOYSA-N 294.402 2.558 0 1 CFAF CC(C)CCCC/C=C\CCOS(=O)(=O)O 138276827 KFSZKAMIIWDKKZ-XQRVVYSFSA-N 250.360 2.969 0 1 CFAF in-vitro O=c1cc(-c2ccccc2O)ccn1[C@H]1CCCC[C@@H]1O 653703225 WEFTZYRQBSYMOH-HOCLYGCPSA-N 285.343 2.697 0 1 CFAF Fc1ccc2c(c1)C[C@@H](c1nc3c(Cl)ncnc3[nH]1)O2 587175337 YHIFNVRRXYLHTJ-VIFPVBQESA-N 290.685 2.822 0 1 CFAF N=c1[nH]ccc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c12 587174839 MGCNEJCUBIDRIS-UHFFFAOYSA-N 281.294 2.582 0 1 CFAF COc1cncc(N)c1-c1nc2cc(C)ccc2[nH]1 587254382 OGQLJWRLTAXYSV-UHFFFAOYSA-N 254.293 2.524 0 1 CFAF N=c1cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c[nH]1 586890356 OOUQIGGQZJOKJG-ZSYFIWHWSA-N 268.364 2.838 0 1 CFAF Oc1nc(O)c2ccc([C@@]34C[C@@H]5C[C@H]3C[C@@H](C5)C4)nc2n1 587562280 UTSFUWQICKCVLM-PBZJCFFSSA-N 283.331 2.514 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C[C@@H]1CCCOC1)O2 587413991 UXMWBUBOPHFYDF-NWDGAFQWSA-N 275.348 2.728 0 1 CFAF CCOC(=O)[C@@H]1C[C@@H]1[C@@H]1NCCc2c1sc(C)c2C 963027668 QIDHSODMUWVVFO-XQQFMLRXSA-N 279.405 2.751 0 1 CFAF Cc1cc(C)n(C(=O)c2coc(-c3cccc(F)c3)n2)n1 1772646957 LGDOAOMWMQQZJT-UHFFFAOYSA-N 285.278 2.983 0 1 CFAF COc1ccc(-c2cc3ncccc3c(N)n2)cc1 13489145 JVBSWOACVWUZRV-UHFFFAOYSA-N 251.289 2.888 0 1 CFAF CC(=O)[C@@H]1[C@H](c2ccc(F)cc2)C[C@H]2CC[C@H]1N2C 166425578 VFHWZFOARRJNNR-QKPAOTATSA-N 261.340 2.981 0 1 CFAF Cc1nc(-c2ccccc2NCC2=NCCN2)cs1 26362 VMGZXQADEXNHID-UHFFFAOYSA-N 272.377 2.532 0 1 CFAF COc1cccc2c1[C@H]1OC(=O)N[C@H]1CCCCC2 1634627 OLCJMJFXTZJASG-FZMZJTMJSA-N 261.321 2.961 0 1 CFAF O=C1C[C@@H]2CCC[C@@](S(=O)(=O)c3ccccc3)(C1)C2 100800351 CKCDTTSVFVFNKN-WFASDCNBSA-N 278.373 2.752 0 1 CFAF O=c1[nH]ccc2nc(NCc3ccc(Cl)cc3)ncc12 21778697 HQZJBASBTALILE-UHFFFAOYSA-N 286.722 2.584 0 1 CFAF COc1ccc(N(C)c2nc(C)nc3c2C[C@@H](C)N3)cc1 64447143 GDTLDUGKYFVRLI-SNVBAGLBSA-N 284.363 2.918 0 1 CFAF CCc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)OC)N3C)cc1 36270844 UAMCGXVVAUEEEU-NCOADZHNSA-N 287.403 2.988 0 1 CFAF O=C1C[C@]2(CCOC2)Oc2c1ccc1c2CCCC1 587535577 LMKZWNGPENMUJY-INIZCTEOSA-N 258.317 2.690 0 1 CFAF C=Cn1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 587391116 KQMJSGLXBNTANL-HNNXBMFYSA-N 283.331 2.889 0 1 CFAF CCCC/C=C/c1nc2c(O)nc(S)nc2[nH]1 587964983 FXCRQLCHWQHARQ-AATRIKPKSA-N 250.327 2.551 0 1 CFAF Cc1ccnc2[nH]c([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc12 586886928 QYDWKXUNHZMGSZ-WOPDTQHZSA-N 267.332 2.905 0 1 CFAF CCOC(=O)C[C@@]1(CC)CC(=O)c2cc(C)cc(N)c2O1 587400867 SBTUDGKYDYORPQ-MRXNPFEDSA-N 291.347 2.644 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H](CC(=O)O)C1)O2 587409926 YHFYBXHTRGBUHR-HWPZZCPQSA-N 289.331 2.556 0 1 CFAF Oc1ccc2scc(-c3nc4c(O)ncnc4[nH]3)c2c1 587031226 CBYJNUXVVNYJRI-UHFFFAOYSA-N 284.300 2.646 0 1 CFAF O=[S@@](Cc1nc2cnc3ccccc3c2[nH]1)CC1CC1 586959766 QHDIWXFHIYSPCK-HXUWFJFHSA-N 285.372 2.770 0 1 CFAF CN(C)C(=O)c1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1 587966430 FMXDAHSBGANWFD-DMDPSCGWSA-N 281.359 2.944 0 1 CFAF Cn1cc(-c2c(N)nc(N)nc2C2CC2)c2ccccc21 1772580333 YXHFJTDWWPFAGS-UHFFFAOYSA-N 279.347 2.677 0 1 CFAF CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@H]3O 13806910 HIYLSOSERAQOHL-KDOFPFPSSA-N 263.340 2.834 0 1 CFAF COC(=O)C1=C(c2ccc(Cl)nc2)C[C@@H]2CC[C@@H]1N2C 169317629 BNVFUBQIRRIJTF-JQWIXIFHSA-N 292.766 2.528 0 1 CFAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(C)c(F)c1)N2 169360018 QDZIBQWKRRRXAL-NEBZKDRISA-N 277.339 2.531 0 1 CFAF Cc1nc2ncccc2n1-c1ccc(C(=O)NC2CC2)s1 169701614 XUVHPILKWNRPBL-UHFFFAOYSA-N 298.371 2.683 0 1 CFAF CCN(CC)CC[C@]1(C2CCCCC2)CCC(=O)NC1=O 3593750 BWHIHAGNNJHXAY-KRWDZBQOSA-N 294.439 2.722 0 1 CFAF CCN(CC)C1=NS(=O)(=O)C(c2ccc(F)cc2)=C1C 20977023 ZMSMXPVUOFXHIO-UHFFFAOYSA-N 296.367 2.640 0 1 CFAF COc1nn(Cc2cccc(-c3ccccc3)c2)c(=O)o1 103287193 MYLOLXFKMORPMN-UHFFFAOYSA-N 282.299 2.560 0 1 CFAF CN1C(=O)CC[C@@H](Cc2ccc(Cl)cc2Cl)C1=O 28017432 BXYFMZKKSMVXBU-VIFPVBQESA-N 286.158 2.931 0 1 CFAF Cc1cnc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cn1 117729200 XQGPRSWBBIDMCR-CQSZACIVSA-N 296.374 2.504 0 1 CFAF CCCCCC=CCC=CCCNS(=O)(=O)O 2356817468 DLEYFILNNFMARG-UHFFFAOYSA-N 261.387 2.852 0 1 CFAF CO[C@@H]1C(=O)CC[C@H](CO)[C@H]1/C(C)=C/CCC(C)C 43104020 ULMJZNJSRRRTLJ-ULVLTVHJSA-N 268.397 2.972 0 1 CFAF in-vitro O=c1[nH]c2cc(CN3CCCCC3)ccc2n2cccc12 42921769 RTSVNZKUVGQOHS-UHFFFAOYSA-N 281.359 2.767 0 1 CFAF COc1ccc2[nH]c(-c3cccc4c3C(=O)NC4=O)cc2c1 40939201 MFWCXIFUBVEJFC-UHFFFAOYSA-N 292.294 2.727 0 1 CFAF COCC[C@H]1C[C@@H]1c1cncc(OCCNC(C)C)c1 96915339 HINDAINYBNAYBT-BBRMVZONSA-N 278.396 2.598 0 1 CFAF Cn1cc(-c2ccc(O)cc2)c(=O)c2ccc(O)cc21 299831918 OWVGQCJMIKAVCI-UHFFFAOYSA-N 267.284 2.617 0 1 CFAF CN(C)C(=O)c1cccc2oc(-c3ccccc3O)nc12 653687454 MLMWOOSWGZWZOS-UHFFFAOYSA-N 282.299 2.902 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)[C@@H](C)C1=O)O2 587405965 OPKABLJHIRDGBN-IEVXNVSRSA-N 273.332 2.526 0 1 CFAF Cc1nccc2[nH]c([C@@H]3C[C@@H](O)c4ccccc43)nc12 586900990 FUMVGRKCEJJFBI-TZMCWYRMSA-N 265.316 2.835 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1CCC(C)(C)O1)O2 587410979 HZEXBWJXHBMVOR-UONOGXRCSA-N 275.348 2.869 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C)[nH]1)O2 587397408 VAXIKJBGWJXCLP-CQSZACIVSA-N 256.305 2.920 0 1 CFAF COc1cc2nc([C@H](N)C3CC3)[nH]c2cc1Cl 587255658 LSOJXJLOXQOCFU-LLVKDONJSA-N 251.717 2.635 0 1 CFAF CCn1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)n1 587389595 BLGBUOYXNHTJSX-MRXNPFEDSA-N 285.347 2.674 0 1 CFAF Cc1cnc2[nH]c(CCc3cccc(O)c3)nc2c1 586895959 FJGYILPYASRLKD-UHFFFAOYSA-N 253.305 2.757 0 1 CFAF Oc1nc(O)c2ccc([C@@H]3C[C@@H]3c3ccc(F)cc3)nc2n1 587369676 NCHHPLSWJHZRIA-VXGBXAGGSA-N 297.289 2.846 0 1 CFAF N[C@@]1(c2nc3ccc(CO)cc3[nH]2)C[C@@H]1c1ccccc1F 587154776 GYMKRYNSFZXPIY-PXAZEXFGSA-N 297.333 2.536 0 1 CFAF O=C1C[C@H]([C@@H]2[C@H]3COC[C@H]32)Oc2c1ccc1c2CCCC1 587536259 SUXDOYGOKGUFRS-WTTBNOFXSA-N 284.355 2.792 0 1 CFAF Nc1cc(C(=O)O)cc(-c2nc3cccc(F)c3[nH]2)c1 587249630 PTCJNIKEGUNIBU-UHFFFAOYSA-N 271.251 2.649 0 1 CFAF C[C@H]1C(=O)CC[C@H]1Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3 587963952 WSBKPDOEGSPRCX-ZJUUUORDSA-N 297.358 2.605 0 1 CFAF C=Cc1ccc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)cc1 586881178 LEEZRBLESJOVBC-UHFFFAOYSA-N 299.355 2.520 0 1 CFAF COc1cccc(CCc2nc3ccc(OC)nc3[nH]2)c1 587931933 RBIDTZDYIGOBBI-UHFFFAOYSA-N 283.331 2.760 0 1 CFAF COc1ccc2nc(-c3cnc(Cl)nc3)[nH]c2c1 587085704 BQWGWFDVUFSPKG-UHFFFAOYSA-N 260.684 2.682 0 1 CFAF COc1ccc2nc3sc(C(=O)O)c(N)c3cc2c1 26067970 RYEOQWJCGLBDIG-UHFFFAOYSA-N 274.301 2.739 0 1 CFAF Cc1cc(C)n(C(=O)c2coc(-c3ccccc3O)n2)n1 1772650930 LSFRJUZPVSBZLX-UHFFFAOYSA-N 283.287 2.549 0 1 CFAF CC(C)(C)CCNC(=O)OCCCc1c[nH]cn1 13801337 IYYSZYZGMAOSHN-UHFFFAOYSA-N 253.346 2.505 0 1 CFAF COc1cc2c(c(OC)c1O)-c1ccc(O)cc1CC2 14650890 SOHTUOALNFQEMJ-UHFFFAOYSA-N 272.300 2.881 0 1 CFAF biogenic COc1ccc2c3c([nH]c2c1)-c1cc(C)cc(=O)n1CC3 15267433 LKLLEBHPTWTLGA-UHFFFAOYSA-N 280.327 2.870 0 1 CFAF O=C1CCC(c2ccc3nc(-c4ccco4)oc3c2)=NN1 168853128 KXAXSCKODDCDEI-UHFFFAOYSA-N 281.271 2.702 0 1 CFAF O=C1[C@H]([C@@H](O)c2ccncc2)CCCN1Cc1ccccc1 103295717 KMPKFMFRUGUIDN-IRXDYDNUSA-N 296.370 2.554 0 1 CFAF Cc1nnc(SCc2cc(=O)c3ccccc3[nH]2)s1 8617259 PRQXLMFIQFDCPR-UHFFFAOYSA-N 289.385 2.980 0 1 CFAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(F)c(C)c1)N2C 101024228 JWQGRCSMNJKNOQ-DARAHFNDSA-N 291.366 2.873 0 1 CFAF Clc1ccc(Cc2noc(Cc3c[nH]cn3)n2)cc1 27903780 JLZXZZNOHBCMQE-UHFFFAOYSA-N 274.711 2.628 0 1 CFAF Oc1ccc(-c2cc(/C=C3/CN4CC[C@@H]3C4)on2)cc1 26669195 PHMKCTAFYAPWGP-BFTHVDOESA-N 268.316 2.766 0 1 CFAF O=C(Cc1cccc2occc12)NCC12CCCN1CCC2 27977570 FESHMEQQMGUORP-UHFFFAOYSA-N 298.386 2.720 0 1 CFAF CC(=O)c1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1 64510269 GZMVQSNFLJUEMM-UHFFFAOYSA-N 295.346 2.859 0 1 CFAF FC(F)(F)c1cc2c(cc1Cl)N1CCNC[C@@H]1CN2 26159525 CZHWKMIRTKUCSN-SSDOTTSWSA-N 291.704 2.563 0 1 CFAF O[C@@H]1c2cccc(Cl)c2S[C@@H]1Cn1ccnc1 27407358 KKMDWHOFXQRYMG-GHMZBOCLSA-N 266.753 2.744 0 1 CFAF c1cc(-c2cn[nH]c2)c2c(c1)[C@@H](c1ncc[nH]1)CC2 29048252 ZXQIPWRUBBPGML-AWEZNQCLSA-N 250.305 2.878 0 1 CFAF COc1cc2nc(-c3ccccc3)[n+]([O-])c(C)c2cc1OC 28767478 BQSAZPHEUCFEFS-UHFFFAOYSA-N 296.326 2.861 0 1 CFAF CC1(C)N=C(N)N=C(N)N1c1cccc(C2CCCCC2)c1 29333744 JBBJWQXRONYFEY-UHFFFAOYSA-N 299.422 2.920 0 1 CFAF O=C(O)c1cc(NC(=S)c2ccccn2)ccc1F 26988588 OMYYNECTWZRRTL-UHFFFAOYSA-N 276.292 2.707 0 1 CFAF CCCCn1c(N2CCN(C)CC2)nc2ccccc21 38142550 KWOWSAHPQNENFF-UHFFFAOYSA-N 272.396 2.588 0 1 CFAF CN1CC[C@]23c4cccc(O)c4O[C@H]2CCC[C@H]3C1 45285717 MMWJAJXGSUFPKC-PJODQICGSA-N 259.349 2.527 0 1 CFAF CCn1cc(-c2c[nH]c3ncc(-c4ccncc4)nc23)cn1 224566732 PEACEAFJUDWKDN-UHFFFAOYSA-N 290.330 2.903 0 1 CFAF COC[C@H](C)Nc1cc(-c2ccc(F)cc2F)ncn1 82160568 JUKXOZZRHUKVIG-VIFPVBQESA-N 279.290 2.869 0 1 CFAF COc1cccc([C@](C)(O)c2ncnc3ccccc23)c1 199275236 YQJUQYQWVCLKCT-KRWDZBQOSA-N 280.327 2.894 0 1 CFAF COC(=O)CCCCCCC(=O)Nc1ccc(C=O)cc1 95783740 YAPZPQHZCCCEMJ-UHFFFAOYSA-N 291.347 2.951 0 1 CFAF COc1ccc2nc(-c3cccc(N)c3C(=O)O)[nH]c2c1 587250367 NLDMFPYQSDHYGO-UHFFFAOYSA-N 283.287 2.519 0 1 CFAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cncnc3[nH]2)c1 587161113 JZLFPVAZASRQII-QWRGUYRKSA-N 254.268 2.763 0 1 CFAF COc1nccc2[nH]c(C(=O)CCc3ccccc3)nc12 587953759 SOTZHRXPGIBZKG-UHFFFAOYSA-N 281.315 2.782 0 1 CFAF C(=C/c1ccccc1)\COCc1nc2ncc[nH]c-2n1 587781545 WSIZLINHGFWRBW-QPJJXVBHSA-N 266.304 2.535 0 1 CFAF O=C(O)C[C@H]1CCc2nc3cccc4c3c(c21)CC4 587215831 VPLXHAIJDJODGH-SNVBAGLBSA-N 253.301 2.838 0 1 CFAF CN(C)c1ccc(-c2nc3nc(Cl)ccc3[nH]2)nc1 587194547 JHTQIXRKYMKMAF-UHFFFAOYSA-N 273.727 2.739 0 1 CFAF Cc1ccc2oc(-c3cc(CO)cc(CO)c3)cc(=O)c2c1 13491209 YSYBQCFEIILGRJ-UHFFFAOYSA-N 296.322 2.753 0 1 CFAF Clc1ncc2ncnc(Nc3ccccc3)c2n1 13762496 MBZZMOBHTIEAEW-UHFFFAOYSA-N 257.684 2.817 0 1 CFAF COc1ccc2c(c1)[C@]13C[C@@H](OC)C=C[C@@H]1CCN3CC2 14558624 FWXCNFQLKQCXQP-HFTRVMKXSA-N 285.387 2.743 0 1 CFAF biogenic,in-vitro COc1c(C)c(O)c(C(=O)C(C)C)c(OC)c1C 14593817 VHXHGMLZYFTOMX-UHFFFAOYSA-N 252.310 2.865 0 1 CFAF CSCC[C@H](N)c1n[nH]c(SCc2ccccc2)n1 14965725 AQFHZMUQZHZSBE-NSHDSACASA-N 294.449 2.850 0 1 CFAF CCC[C@H](C(=O)c1ccc(C(=O)OC)cc1)N1CCCC1 13682092 RUCXEVOCSDADAL-OAHLLOKOSA-N 289.375 2.920 0 1 CFAF CC[C@@H](C)c1nc(C2=CCCN(C)C2)oc1OC 12770 ZNFPRRDTUVRWMT-SNVBAGLBSA-N 250.342 2.916 0 1 CFAF Cn1c(C(=O)NC[C@H]2CCCO2)cc2oc3ccccc3c21 4436471 IWPIEYRDDHWEBM-LLVKDONJSA-N 298.342 2.833 0 3 CFAF CN1CC[C@]23CCCC[C@H]2[C@@H]1Cc1ccc(N)cc13 100642683 CYPHSPITDGFDMD-BHYGNILZSA-N 256.393 2.957 0 1 CFAF Cc1cc(Nc2ccc3ccccc3c2)[n+]2[nH]cnc2n1 103547130 GNJXIZOPHGMAQW-UHFFFAOYSA-O 276.323 2.749 0 1 CFAF in-vitro CC(C)C[C@]1(C(=O)c2ccc3[nH]ncc3c2)CCCN1 58591083 HXVMFBSINMZKRO-INIZCTEOSA-N 271.364 2.914 0 1 CFAF O=c1[nH]cnc2c1[C@H](c1ccccc1)c1ccc(O)cc1O2 103289624 GKAZSKIMQVWWKI-CQSZACIVSA-N 292.294 2.761 0 1 CFAF CCCN1CCO[C@H](c2cccc(-c3ncc[nH]3)c2)C1 28957387 ASQKPZFQDFQZCR-HNNXBMFYSA-N 271.364 2.860 0 1 CFAF CCN1C(=S)N(CC(C)C)C(=O)[C@H]1c1ccccc1 27747800 CBAYBJBIWRAYAT-CYBMUJFWSA-N 276.405 2.833 0 1 CFAF OCCOCn1c(=S)[nH]c2cc(Cl)c(Cl)cc21 28001999 QEUPVXSATLFUIN-UHFFFAOYSA-N 293.175 2.972 0 1 CFAF O=C(O)[C@@H]1C(c2ccccc2)=CC=C2CCCCN21 2356872088 YOTIHUYSGLMDLO-HNNXBMFYSA-N 255.317 2.907 0 1 CFAF COc1cccc2c(=O)c3c(n(C)c12)O[C@H](C(C)C)C3 900235 FMEKJMQGMONLTQ-ZDUSSCGKSA-N 273.332 2.507 0 1 CFAF biogenic CCOC(=O)c1cc(Cc2ccccc2)c(=O)n2c1CCC2 218869070 NYRCMXDULCKRAA-UHFFFAOYSA-N 297.354 2.562 0 1 CFAF Nc1nc2cccc(Cl)c2c2nc(-c3ccco3)nn12 221077225 LTHNIAHTIWLCEM-UHFFFAOYSA-N 285.694 2.773 0 1 CFAF O=c1cc(CCc2ccc(O)cc2)oc2cccc(O)c12 474609145 OJTWDWWQKJAYNT-UHFFFAOYSA-N 282.295 2.989 0 1 CFAF C=CC(=O)Nc1ccc(-c2nc3ncnc(Cl)c3[nH]2)cc1 587244094 LPCWXWZKMJDHTL-UHFFFAOYSA-N 299.721 2.798 0 1 CFAF Cc1cc2[nH]c(-c3cc(N)cc(C(=O)O)c3)nc2c(C)n1 587249083 GKBPSSSYTRPEBD-UHFFFAOYSA-N 282.303 2.522 0 1 CFAF Oc1nc(O)c2ccc(-c3cccc(Cl)c3)nc2n1 587368597 NAXNPHSUXBZRPN-UHFFFAOYSA-N 273.679 2.756 0 1 CFAF CC(C)[C@@H](c1nc2cncc(Cl)c2[nH]1)N(C)C 587198540 JGHGJOCYWNWFFC-NSHDSACASA-N 252.749 2.870 0 1 CFAF Cc1nccc2[nH]c([C@@H](C)Sc3ncccn3)nc12 586963954 SAUXUKDVPSPMKN-SECBINFHSA-N 271.349 2.910 0 1 CFAF COC(=O)[C@H](C)c1nc2cccc3c2c(c1C)CC3 587215052 ZREKJFPNKNMKQC-SNVBAGLBSA-N 255.317 2.918 0 1 CFAF COc1cc2nc(-c3ccc(O)cc3Cl)[nH]c2cn1 587054598 OXQKKNWWZSDRSS-UHFFFAOYSA-N 275.695 2.993 0 1 CFAF O=c1oc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 13741680 FNRQYQYNSWTIIN-UHFFFAOYSA-N 287.662 2.749 0 1 CFAF CCCCCOc1nccnc1[C@@H]1CN2CCC1CC2 13743102 FIHZVQIBDOOOHL-CQSZACIVSA-N 275.396 2.855 0 1 CFAF CCOC(=O)[C@@H]1CN(CC)CC=C1c1ccccc1 13782788 YEISNHZYJIVAST-OAHLLOKOSA-N 259.349 2.585 0 1 CFAF CCC[C@H](O)CCCCCCC[C@@H](O)CC(=O)O 15117379 AVKYODWULTZQPQ-QWHCGFSZSA-N 260.374 2.714 0 1 CFAF CCCCC[C@@H](O)C1=C/C(=C/Br)OC1=O 103299613 UUXGVGDEZKRHKB-GQYWMQPJSA-N 275.142 2.647 0 1 CFAF Cc1nc2c(OCc3ccccc3)cccn2c1CC(=N)N 28002014 DYBBMVKAFAEWGZ-UHFFFAOYSA-N 294.358 2.700 0 1 CFAF O=c1[nH]c2ccccc2c2cn(Cc3ccccc3)nc12 28710891 XJRYZVBNFXKWFF-UHFFFAOYSA-N 275.311 2.926 0 1 CFAF in-vivo O=C(c1c(F)cccc1F)c1ccc2n1CC[C@H]2C(=O)O 25994973 GPRHPDLCHYSCIN-MRVPVSSYSA-N 291.253 2.569 0 1 CFAF COc1ccccc1CNC(=O)c1cc2cc(O)ccc2[nH]1 27552955 LUZYDWXOIAHAJY-UHFFFAOYSA-N 296.326 2.812 0 1 CFAF CC(C)N1C[C@@H](F)[C@H](OCc2nc3ccccc3[nH]2)C1 2356778472 VZMDHOWYZACKIY-BXUZGUMPSA-N 277.343 2.510 0 1 CFAF CCCCC[C@H]1CCC[C@H](CC(=O)OCC)N1CCO 39128887 LZVKTFBVQZAGOC-LSDHHAIUSA-N 285.428 2.735 0 1 CFAF CC(=O)O[C@@H](C)/C=C/c1cc2ccccc2c(=O)o1 40828359 ZEOUYLGCBSJYCV-JARNTUPDSA-N 258.273 2.758 0 1 CFAF CC1(C)NC(=N)NC(=N)[C@@H]1c1ccc(Cl)c(Cl)c1 45229869 MITUYFOINJGEGW-VIFPVBQESA-N 285.178 2.960 0 1 CFAF Cn1nnc(C(=O)CCCCCCc2ccccc2)n1 40875223 LCKMSHQWKSZYBW-UHFFFAOYSA-N 272.352 2.586 0 1 CFAF CCO[C@@]1(c2ccccc2)SC=C(C)n2c1noc2=O 653899242 WDOSFJUFPBCYSV-AWEZNQCLSA-N 290.344 2.639 0 1 CFAF O=C(O)c1ccc2nc(C(F)(F)c3ccccn3)[nH]c2c1 587090028 KPKDEQIUEHMCDD-UHFFFAOYSA-N 289.241 2.796 0 1 CFAF CN[C@H](c1cccnc1)c1nc2cc(C)cc(C)c2[nH]1 587224200 QKRUAZUCVVCFFN-OAHLLOKOSA-N 266.348 2.884 0 1 CFAF CC(C)[C@@](C)(O)c1nc2cc(F)c(F)c(F)c2[nH]1 586891598 UQSLAZUKSDPGLY-GFCCVEGCSA-N 258.243 2.844 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1nccs1)[C@@H](C2)C3=O 587450709 HNKDPUBQIJKSSD-ZANVPECISA-N 273.313 2.640 0 1 CFAF COc1cncc2nc(CCOCc3ccccc3)[nH]c12 587566593 VAFBBAJXFNJOGB-UHFFFAOYSA-N 283.331 2.726 0 1 CFAF Fc1c(F)c(F)c2[nH]c([C@@H]3CCOC3)nc2c1F 586912413 ROXFVDABGLIVFL-SCSAIBSYSA-N 260.190 2.623 0 1 CFAF Nc1cc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)ccc1F 587139818 YPNGSUFUXYQKNR-UHFFFAOYSA-N 289.241 2.789 0 1 CFAF O=C(/C=C\c1nc2cnccc2[nH]1)Nc1ccccc1 587243740 HTBIILJHMHMRES-SREVYHEPSA-N 264.288 2.610 0 1 CFAF CC(C)C[C@H](O)c1nc2c(F)cnc(Cl)c2[nH]1 586900650 IMVJVEHPFYANHU-ZETCQYMHSA-N 257.696 2.830 0 1 CFAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ncc[nH]c-2n1 587196865 ZMOUUNFNSOUEPR-JTQLQIEISA-N 267.336 2.522 0 1 CFAF C=C(NC(C)=O)c1nc2ccc3nc(C)ccc3c2[nH]1 587203345 LVGOEUKJVYCMQG-UHFFFAOYSA-N 266.304 2.526 0 1 CFAF COc1ccc2c(c1)C(=O)c1cc(C(=O)O)ccc1CC2 169347779 PQEMZGFFZLWLSC-UHFFFAOYSA-N 282.295 2.723 0 1 CFAF NS(=O)(=O)Oc1ccc(-c2ccc3occc3c2)cc1 1857543684 IANNKQHOTPHSQB-UHFFFAOYSA-N 289.312 2.682 0 1 CFAF CCN1c2ncccc2-c2nccn2-c2cccnc21 5841650 RVHSEJPAUOEVKQ-UHFFFAOYSA-N 263.304 2.801 0 1 CFAF CC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C 13736143 VFHWZFOARRJNNR-JJXSEGSLSA-N 261.340 2.981 0 1 CFAF O=C(O)c1ccc2c(=O)cc(Cc3ccc(O)cc3)oc2c1 13797592 SWUOUDNQDLGAJT-UHFFFAOYSA-N 296.278 2.788 0 1 CFAF COc1cc(OCCCc2c[nH]cn2)ccc1C(C)=O 13814617 JFDAZEBHPBCBRX-UHFFFAOYSA-N 274.320 2.633 0 1 CFAF COc1ccc2c(c1)OC[C@H](Cc1ccccc1O)C2=O 1857636998 GMLOZPLXLFASJM-LBPRGKRZSA-N 284.311 2.835 0 1 CFAF Cc1ccc2c(cnn2C(=O)CCC(=O)N2CCCCC2)c1 6768323 BEGDIJKPUFEUFI-UHFFFAOYSA-N 299.374 2.778 0 3 CFAF O=c1[nH]c(-c2ccc(Cl)cc2)nc2c(O)cccc12 103231306 QWKZXCNQEFMJAM-UHFFFAOYSA-N 272.691 2.949 0 1 CFAF CC(=O)Cn1nnc(Cc2ccc(-c3ccccc3)cc2)n1 29043248 KCHLPEXTIZCFIC-UHFFFAOYSA-N 292.342 2.520 0 1 CFAF CCC[C@@H](N)[C@@H]1C[C@@]1(C(=O)N(CC)CC)c1ccccc1 27551628 FRCRMOSICFMCIZ-LZLYRXPVSA-N 288.435 2.940 0 1 CFAF O=C(NCC1(c2ccccc2)CCCCC1)Nc1nc[nH]n1 23478163 UPYAUQVRGWLPBB-UHFFFAOYSA-N 299.378 2.828 0 1 CFAF COc1ccc2[nH]c3c(c2c1)CC(=O)Nc1cccnc1-3 29055069 OABFHHUXJBWVRL-UHFFFAOYSA-N 279.299 2.733 0 1 CFAF CC(C)(O)[C@@H]1CC[C@](C)(O)[C@]2(C)CC[C@](C)(O)[C@@]2(C)C1 2356792582 JWJOVQPNPYQUDW-ZUOZUFPHSA-N 284.440 2.866 0 1 CFAF O=C1COC(c2ccccc2)=NN1C1CCCCC1 34021990 CLGJDXYDGRDMSL-UHFFFAOYSA-N 258.321 2.540 0 1 CFAF CC(=O)O[C@H]1CC(C)(C)Oc2ccc3ccc(=O)oc3c21 39129036 WHTYOFOACKGUNH-LBPRGKRZSA-N 288.299 2.958 0 1 CFAF OCCCNCc1ccc2[nH]c3ccccc3c2c1 224267845 RQJMCGCTNXPLGM-UHFFFAOYSA-N 254.333 2.793 0 1 CFAF O=C(O)C[C@H]1CCc2c1nc1cccc3c1c2CC3 587215302 KYTKNSFWYRYJPO-SNVBAGLBSA-N 253.301 2.838 0 1 CFAF O[C@H]1C[C@H](c2nc3cc4c(cc3[nH]2)OCO4)c2ccccc21 586901906 JCIZXQJUXDFNCC-FZMZJTMJSA-N 294.310 2.861 0 1 CFAF CC[C@H](O)c1nc2cccc(OC(F)(F)F)c2[nH]1 586900393 IUKUPDSDYODOIG-ZETCQYMHSA-N 260.215 2.905 0 1 CFAF CC(C)(C)c1cccc2[nH]c(-c3ncc(N)cn3)nc12 587252633 GIHORZGLIBIKTD-UHFFFAOYSA-N 267.336 2.900 0 1 CFAF Oc1nc(NCc2ccccc2)c2nc(C3CCC3)nc-2[nH]1 586884510 OCHHMTODTKOWMI-UHFFFAOYSA-N 295.346 2.890 0 1 CFAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(=N)[nH]cc2[nH]1 587930729 PEZXDASGIRTHAM-PIGZYNQJSA-N 294.358 2.824 0 1 CFAF O=C1CC(=O)c2cc(Cl)cc(Br)c2O1 957571182 SMTAQKVSGKEHLH-UHFFFAOYSA-N 275.485 2.594 0 1 CFAF NC[C@@]1(C2CC2)NCCc2c(Cl)cc(Cl)cc21 963118452 FXKZNSNLHMGKAF-ZDUSSCGKSA-N 271.191 2.703 0 1 CFAF NC(=O)N1CCC[C@@H](Cc2cccc3ccoc23)C1 1772612291 YXZPKCSYAVOCLS-NSHDSACASA-N 258.321 2.766 0 1 CFAF CC(=O)N1[C@@H](Nc2nccs2)CCN1c1ccccc1 5602155 NAOPKPXOCNQGOB-CYBMUJFWSA-N 288.376 2.555 0 1 CFAF COc1cccc(-c2noc(C[C@H]3CN4CCC3CC4)n2)c1 1857534770 HQFCCBJWEUXEBR-AWEZNQCLSA-N 299.374 2.630 0 1 CFAF CCCNC(=O)NCCc1c[nH]c2cc(F)c(OC)cc12 1535297 UGGQJWSXJAIMMR-UHFFFAOYSA-N 293.342 2.567 0 1 CFAF Cn1c(=O)ccc2cc(C(=O)c3ccccc3)ccc21 1628626 RNQWABMODVGKRW-UHFFFAOYSA-N 263.296 2.770 0 1 CFAF O=C1[C@H]([C@H](O)c2ccncc2)CCCN1Cc1ccccc1 103295712 KMPKFMFRUGUIDN-DLBZAZTESA-N 296.370 2.554 0 1 CFAF CC(C)(C)/N=c1/c(-c2ccc(Cl)cc2)c(O)c1=O 103536495 QRQMHNNJWNPYRJ-WJDWOHSUSA-N 263.724 2.648 0 1 CFAF CN[C@@H]1CCN(c2ccnc(-c3ccsc3)c2)C1 118783339 CDHHHIZEKKOMJI-GFCCVEGCSA-N 259.378 2.608 0 1 CFAF CC1=Cc2occ(C)c2[C@H]2C=C(CC[C@H]1O)C(=O)O2 2356545480 JWFQYTGNEFSYSJ-DGCLKSJQSA-N 260.289 2.670 0 1 CFAF Cc1cc(O)c2c(=O)c(C3=CC=CCN3C)coc2c1 2356845081 OBEOIXWXUFFVEO-UHFFFAOYSA-N 269.300 2.650 0 1 CFAF COc1cccc([C@@H]2NCCc3cc(O)ccc32)c1OC 3703486 OLYFSVRCYJMDBU-MRXNPFEDSA-N 285.343 2.645 0 1 CFAF biogenic COc1ccccc1[C@@H](C)[C@H](O)P(=O)(OC)OC 211058974 DQPAPSGIHWWNFH-BXKDBHETSA-N 274.253 2.603 0 3 CFAF O=C(c1ccccc1)c1cc2cc(O)ccc2oc1=O 71766617 LFABXJTUEHBFNF-UHFFFAOYSA-N 266.252 2.730 0 1 CFAF CCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 139955261 YEXIBPDKYUNGGR-UHFFFAOYSA-N 262.744 2.914 0 1 CFAF Cc1cc2c(NC(=O)c3cccnc3N)cccc2[nH]1 618010050 OQEVBJHLIQGAPQ-UHFFFAOYSA-N 266.304 2.706 0 1 CFAF O[C@H]1C[C@H](c2nc3cccnc3[nH]2)c2ccccc21 586904253 SDOFXHMABMDION-AAEUAGOBSA-N 251.289 2.527 0 1 CFAF Cc1cncc2nc(CC(=O)OCc3ccccc3)[nH]c12 587783199 ZIRJMPBKHALKHS-UHFFFAOYSA-N 281.315 2.552 0 1 CFAF CN[C@@H](c1cccnc1)c1nc2ccc3ncccc3c2[nH]1 587224118 DSKCYPWYUZNIRS-HNNXBMFYSA-N 289.342 2.815 0 1 CFAF C[C@@H](O)c1ncc(-c2nc3cc(Cl)cnc3[nH]2)s1 587022727 WESMOWBPPHHDTR-RXMQYKEDSA-N 280.740 2.788 0 1 CFAF Oc1cccc(CCc2nc3cc4c(cc3[nH]2)OCCO4)c1 586896606 VFPCASYLMWYDJJ-UHFFFAOYSA-N 296.326 2.825 0 1 CFAF CN(C)c1ncccc1-c1nc2c(Cl)ncc(F)c2[nH]1 587196144 QODHMADXCVJXIX-UHFFFAOYSA-N 291.717 2.878 0 1 CFAF O=c1ccc2cc(-c3nc4ncccc4[nH]3)ccc2o1 586919099 ZUQMTMPNVVYSRO-UHFFFAOYSA-N 263.256 2.731 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c[nH]cc31)O2 587396627 MSDCQHGEVBOEOK-MRXNPFEDSA-N 268.316 2.712 0 1 CFAF c1ccc(-c2n[nH]c3ccnc(NC4CCOCC4)c23)nc1 146330803 ZAEIAJJLQHCNJV-UHFFFAOYSA-N 295.346 2.611 0 1 CFAF CCCCNC(=O)c1ccccc1-c1cccc(C(N)=O)c1 1772626157 QFOZKHGLGRAUFV-UHFFFAOYSA-N 296.370 2.982 0 1 CFAF COc1cc(OC)c2cc(-c3ccc(O)cc3)c(=O)[nH]c2c1 26574000 GPCBCTZRCDKMOS-UHFFFAOYSA-N 297.310 2.918 0 1 CFAF O=C1c2ccccc2CC[C@H]1[C@@H](O)c1ccccn1 2496969 KMUFRORPXFHGMY-CZUORRHYSA-N 253.301 2.560 0 3 CFAF CCc1nc2nc(C)cc(NCc3ccc(F)cc3)n2n1 6821515 ZTSKVSQLIJCSNY-UHFFFAOYSA-N 285.326 2.746 0 1 CFAF CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)CCC(=O)O 100779848 BLILOGGUTRWFNI-SRVKXCTJSA-N 256.342 2.855 0 1 CFAF endogenous,in-man Nc1ncc([C@@H]2C[C@@H]3CC[C@@H]2N3)cc1-c1ccccc1 100045080 ABSIBSJUOJFQHU-DZKIICNBSA-N 265.360 2.939 0 1 CFAF CO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1sccc1C 104092510 GQUPKJQORNFZDF-WJEYQPDNSA-N 290.348 2.759 0 1 CFAF CCC[C@H](C)Sc1cccc(OS(C)(=O)=O)n1 103180812 RGJCDIDDYXZDFN-VIFPVBQESA-N 275.395 2.701 0 1 CFAF COc1nc2c(N)nc3ccccc3c2n1CC(C)C 28471153 NFBVIEUMNSSHCT-UHFFFAOYSA-N 270.336 2.831 0 1 CFAF O=c1cc(CCC2CCC2)c2c(O)nc(C(F)F)nc2o1 66074463 OPOSIEKSZAUDOI-UHFFFAOYSA-N 296.273 2.959 0 1 CFAF Cc1ccc(C/N=c2/c(-c3ccccc3)c(O)c2=O)cc1 103535570 KPOJADRYKLYAPW-MNDPQUGUSA-N 277.323 2.704 0 1 CFAF CN(c1nc(Cl)nc2c1ncn2C)C1CCCCC1 27327445 KQUYMJOYRRMNNP-UHFFFAOYSA-N 279.775 2.786 0 1 CFAF CN(C)CCCCN1C(=O)c2cccc3cccc(c23)C1=O 26176028 XOUGWBLWNUAWOB-UHFFFAOYSA-N 296.370 2.778 0 1 CFAF O=C(O)c1cc(=O)c2c([nH]1)-c1cc(Cl)ccc1SC2 28768940 KETRPEBGFYLGOW-UHFFFAOYSA-N 293.731 2.999 0 1 CFAF C[C@@H]1CC[C@H]2[C@@]3(O)[C@@H]1CC[C@@]3(C)C[C@@]2(C)C(=O)O 2356575269 HJIXPIWBGQEXMJ-RSTLPKAASA-N 252.354 2.675 0 1 CFAF COC[C@]1(O)[C@]2(CCC[C@H]2O)[C@H]2[C@H]3CCC[C@@]2(C)[C@@]1(C)C3 2356735829 SWDAGTBJDSMABM-UATDDVEISA-N 294.435 2.741 0 1 CFAF CCN1CCN[C@@H]2CCn3c(c(C)c4ccccc43)[C@@H]21 27313230 FBOFXUQUZVCOBJ-RHSMWYFYSA-N 269.392 2.688 0 1 CFAF O=C(Cc1ccccc1)Nc1cccc2cc[nH]c(=O)c12 49032250 NIGVIUBQYPBNGT-UHFFFAOYSA-N 278.311 2.709 0 1 CFAF CC1(C)C[C@@]2(C)[C@H]1[C@H]1C[C@@]1(C)[C@H](O)CC[C@]2(C)O 238784631 XLQPEBGTWDBJAW-DHUIQQBUSA-N 252.398 2.971 0 1 CFAF [O-][n+]1onc2cc(OCc3nc4ccccc4s3)ccc21 95577510 HXIXILDKGLXIBP-UHFFFAOYSA-N 299.311 2.650 0 1 CFAF CC1(C)CCc2[nH]c3cccc4c(=O)[nH]nc(c2C1)c34 146751176 BDGRZWISYNXFKD-UHFFFAOYSA-N 267.332 2.919 0 1 CFAF OC[C@@H]1[C@H]2c3ccccc3NC[C@H]2N1CC1CCCCC1 95894094 NRWYCJXZGYCIFM-KURKYZTESA-N 286.419 2.821 0 1 CFAF O=C([C@H]1CCCO1)n1nc2cc1Oc1ccc(F)cc1-2 587875954 WGRIJRQLQDSJKN-GFCCVEGCSA-N 274.251 2.614 0 1 CFAF COC(=O)[C@H]1c2nc3cccc4c3c(c2C[C@H]1C)CC4 587213406 IFOZCVQKXKEBJM-YMTOWFKASA-N 267.328 2.782 0 1 CFAF C[C@]12Cc3c(nc4cccc5c4c3CC5)C[C@@]1(O)CCC2=O 587216065 RPKJCKSYNXXISG-MOPGFXCFSA-N 293.366 2.532 0 1 CFAF CC(C)(C)c1cccc2nc([C@H](N)C3COC3)[nH]c12 587255894 SXRRLRIDYJNULD-GFCCVEGCSA-N 259.353 2.507 0 1 CFAF Nc1cccc(-c2nc3ccccc3[nH]2)c1C(=O)O 587249838 KNMFFFRFTYEVFJ-UHFFFAOYSA-N 253.261 2.510 0 1 CFAF Clc1ccc(C2=C[C@H](c3nc4ncc[nH]c-4n3)ON2)cc1 587076195 LEGBKKDCLHIDRL-LLVKDONJSA-N 299.721 2.575 0 1 CFAF COc1cc2c3c(c1)O[C@](C)([C@@H]1CCCOC1)[C@@H](C2)C3=O 587454726 WJQQXBHIHPFNHF-BTJLNZGRSA-N 288.343 2.628 0 1 CFAF O=C(Cc1cc[nH]n1)n1nc2cc1Oc1ccc(F)cc1-2 587876620 UPVNRMQQWWERGZ-UHFFFAOYSA-N 284.250 2.401 0 1 CFAF CCCc1c(O)ccc2c1O[C@@](CCC)(C(=O)O)CC2=O 587491349 UEAMHBJRXGDVOV-MRXNPFEDSA-N 292.331 2.933 0 1 CFAF C=C1Nc2scc(-c3ccccc3)c2C(=O)N1N 958054851 OAHXQJBRJZXXPM-UHFFFAOYSA-N 257.318 2.628 0 1 CFAF O=C(NC1CCCC1)[C@H]1CC(=O)N(C2CCCCCC2)C1 219072 YJKUNCAHXXAAMQ-ZDUSSCGKSA-N 292.423 2.617 0 1 CFAF Cc1ccc(S(=O)(=O)[N@]2C[C@@H]2C2CCCCC2)cc1 2356320369 BTJYPSWDXLYTKQ-HZPDHXFCSA-N 279.405 2.948 0 1 CFAF CO[C@H](C1=NCCN1)[C@@H](Oc1ccccc1)c1ccccc1 2356321555 APPDQPXWOYUJEV-IRXDYDNUSA-N 296.370 2.823 0 1 CFAF CC(C)(C)NC(=O)N1CCn2cccc2[C@H]1c1cccnc1 4329771 APHHJZXVRXDLNH-OAHLLOKOSA-N 298.390 2.796 0 1 CFAF O=C(O)[C@H]1CCCN(c2c(Cl)cncc2Cl)C1 101033682 NLOUSNZEJXTOPA-ZETCQYMHSA-N 275.135 2.689 0 1 CFAF COc1cc(-c2cccc(-c3ccn(CCF)n3)c2)ncn1 20905819 OOVZEXCPPYWDLS-UHFFFAOYSA-N 298.321 2.985 0 1 CFAF C[C@H](c1cn(CCc2c[nH]cn2)nn1)C1CCCCC1 66166617 PLWRIVWTXYHFIP-LBPRGKRZSA-N 273.384 2.928 0 1 CFAF O=C(c1ccc(Cl)cc1)c1ccc2n1CC[C@H]2C(=O)O 25997503 AWYPVJCKATWYJR-LLVKDONJSA-N 289.718 2.944 0 1 CFAF COc1ccc(C=CNNc2nc(C)cc(C)n2)cc1 2356670534 RLUHSLQCTKZQRO-UHFFFAOYSA-N 270.336 2.689 0 1 CFAF CCCCCCOc1nsnc1[C@H]1CN2CC[C@H]1C2 26735042 QPDGXKXJLDKIHO-RYUDHWBXSA-N 281.425 2.916 0 1 CFAF CN(C)C=C(NC(=O)Nc1ccccc1F)C(F)(F)F 2356857488 SJDVBRIDCKEKND-UHFFFAOYSA-N 291.248 2.913 0 1 CFAF CCCC[C@@H](N)[P@@](=O)(O)Oc1ccc(OC)cc1 49116001 QTSCDNZOOYBORO-LBPRGKRZSA-N 273.269 2.734 0 1 CFAF COc1ccc2c(c1)[C@H]1C[C@@H](OC)C=C3CCN(CC2)[C@H]31 85491062 UYXQAPQPXZLQHR-CGTJXYLNSA-N 285.387 2.754 0 1 CFAF biogenic,in-vitro CN1C(=O)[C@@]23CCC[C@H]2C[C@@]1(c1ccccc1)S3 195516143 YTAYZILMDPNPLZ-CFVMTHIKSA-N 259.374 2.987 0 1 CFAF N=C(N)c1ccc2nc(/C=C/c3ccco3)[nH]c2c1 40845938 XALNYNCXRSYZRZ-GQCTYLIASA-N 252.277 2.610 0 1 CFAF NCc1cn(O)nc1-c1cccc(-c2ccccc2)c1 95595459 DQFCGBULSRIWGA-UHFFFAOYSA-N 265.316 2.913 0 1 CFAF C[C@@H](O)Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586891169 NHYDSIDKMHXIME-LLVKDONJSA-N 280.327 2.717 0 1 CFAF N=C(N)c1ccc2[nH]c(C(=O)CCc3ccccc3)nc2c1 587953659 PDUKHEXDSGEMQL-UHFFFAOYSA-N 292.342 2.662 0 1 CFAF COc1ccc2nc(-c3nc4cnncc4[nH]3)sc2c1 587034767 HLTGOVHPRKZYJI-UHFFFAOYSA-N 283.316 2.638 0 1 CFAF COC(=O)c1ccnc2[nH]c(COc3ccc(C)cc3)nc12 587565350 CNZIIVDSWNXSDJ-UHFFFAOYSA-N 297.314 2.632 0 1 CFAF Cc1c(-c2ccccn2)[nH]c2ccc(S(C)(=O)=O)cc12 587650928 HTWVXQIOQXEKIZ-UHFFFAOYSA-N 286.356 2.942 0 1 CFAF C[C@H](Oc1ccc(F)cc1)c1nc2cc[nH]c(=N)c2[nH]1 587169020 QGMDSTXIHDXNJH-QMMMGPOBSA-N 272.283 2.650 0 1 CFAF O=C1c2cccc3c2N(CC3)C(=O)[C@H]1c1ccccc1 957743260 OFNJAJVUWUUXFG-AWEZNQCLSA-N 263.296 2.556 0 1 CFAF C[C@@H]1SC(c2cc3ccccc3cc2O)=N[C@H]1CO 1857640249 OHKDLICNPQPHJS-ZANVPECISA-N 273.357 2.788 0 1 CFAF O=C1O/C(=C/Br)C[C@H]1c1ccccc1 13580395 CSSUBLBHWCCATP-PCYYEKQGSA-N 253.095 2.953 0 1 CFAF COc1ccc(-c2[nH]nc3c2C(=O)c2cc(N)ccc2-3)cc1 13492119 YUKUITXJHWEKGD-UHFFFAOYSA-N 291.310 2.879 0 1 CFAF O=C1C(=O)N(C(=O)OCc2ccccc2)c2ccc(F)cc21 13553660 LQAQNZBRQVCETM-UHFFFAOYSA-N 299.257 2.692 0 1 CFAF CC(=O)N1[C@@H]2CC[C@@H]1[C@@H](c1ccc(Cl)nc1)C2 169369380 PNXFGWLSNKMJSP-IJLUTSLNSA-N 250.729 2.602 0 1 CFAF Cc1nc(N=c2[nH]nc(-c3ccccc3)o2)c(C)c(C)c1O 1857766547 KIYYNTUNVFJURY-UHFFFAOYSA-N 296.330 2.928 0 1 CFAF COc1cc(CCc2cccnc2)cc(OC)c1OC 13220534 PGWCTXIOXNEIGU-UHFFFAOYSA-N 273.332 2.893 0 1 CFAF Cc1cc(-c2ccccc2)nnc1NCCCCN 27627018 IHGHYTVLKPZYEV-UHFFFAOYSA-N 256.353 2.603 0 1 CFAF CC1=C[C@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)NC(C)C 2356865945 WNHWHKHUXOLOBS-ZNMIVQPWSA-N 267.413 2.748 0 1 CFAF COc1ccc([C@@H]2Oc3cc(OC)ccc3C[C@H]2O)cc1 36375064 UAZVYJFUSBJXNA-WBVHZDCISA-N 286.327 2.741 0 1 CFAF Cc1coc2c1[C@@H](O)[C@]1(C)[C@@H](C)CCC[C@]1(O)C2 33831285 NEEFWFDZIRSXDP-PUPMMZHASA-N 250.338 2.735 0 1 CFAF biogenic,in-vitro CC(C)[C@@]1(O)CC[C@](C)(N=S)[C@@H]2CC[C@@](C)(O)C=C21 84597166 IREDGOQSVKBMCZ-RZFFKMDDSA-N 283.437 2.744 0 1 CFAF CO[C@@H]1/C=C/CC/C(C)=C\C/C(C)=C\C(=O)O[C@@H](CO)C1 238783362 QFQKOFIKPPGGPV-MDPCXTIZSA-N 294.391 2.928 0 1 CFAF COc1ccc(N(C)c2ncnc3cc[nH]c23)cc1 96933253 WVTALQYZZFAJDR-UHFFFAOYSA-N 254.293 2.734 0 1 CFAF C[C@H]1CC[C@H]2[C@@H](C)C(=O)O[C@H]2[C@]2(C)C(=O)CC[C@@H]12 238789436 UAISWGZBKOGPML-OVPPIICMSA-N 250.338 2.579 0 1 CFAF biogenic CCNC(=O)Nc1c[nH]c2cc(-c3cccnc3)cnc12 653757091 MHTHXTPTIQSQIB-UHFFFAOYSA-N 281.319 2.766 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccc[nH]1)[C@@H](C2)C3=O 587438723 QFMKYPYCHMKQDA-BONVTDFDSA-N 255.273 2.512 0 1 CFAF C[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C 587517194 IUBXZIRVPGLPGY-KPZWWZAWSA-N 285.387 2.993 0 1 CFAF COc1cncc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587435157 CFAFNFZNWXBXMC-CXAGYDPISA-N 297.310 2.588 0 1 CFAF O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(CO)cc2[nH]1 586908185 QMXAPRRKKJNRBQ-NSHDSACASA-N 296.326 2.636 0 1 CFAF COc1cc2c3c(c1)O[C@@H]([C@H]1CCC=CO1)[C@@H](C2)C3=O 587452581 FIZOKADSMDALQX-HWWQOWPSSA-N 272.300 2.504 0 1 CFAF NC(=O)c1cccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c12 587089969 JREIDOSLFWRRDG-SECBINFHSA-N 295.623 2.585 0 1 CFAF COc1nccnc1[C@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963111479 OCSBQBFVKTYKCN-XJKSGUPXSA-N 299.349 2.734 0 1 CFAF N=C(N)N1CCC[C@@H](Cc2cccc3ccoc23)C1 1772648874 WTKJOCPPKQFOKK-NSHDSACASA-N 257.337 2.581 0 1 CFAF O=c1c(-c2ccccc2)c[nH]c2c(-c3ccccn3)cnn12 1772627978 VWZJBQLJVBXTPE-UHFFFAOYSA-N 288.310 2.752 0 1 CFAF Cc1cc(O)cc2oc3cc(O)c4c(c3c12)COC4=O 14717241 OOXFLIUVCWLPKE-UHFFFAOYSA-N 270.240 2.976 0 1 CFAF N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCCC1 14947626 SXNUOZWYDHUUKD-SFHVURJKSA-N 294.398 2.846 0 1 CFAF Cc1ccc(C2=NC[C@@H](C)n3c2c2ccccc2[n+]3[O-])cc1 206061791 LUOBCXLEVSNHEM-CYBMUJFWSA-N 291.354 2.995 0 3 CFAF NC(=O)Nc1cc(-c2[nH]cnc2-c2ccc(F)cc2)ccn1 167633605 CYYTVUKCHKHPDX-UHFFFAOYSA-N 297.293 2.768 0 1 CFAF CCOc1ccc(/C=C/c2cc(=O)c(O)co2)cc1 1857654443 IRAAGGYDOGPSKI-VMPITWQZSA-N 258.273 2.915 0 1 CFAF Cc1cc(C)c2c(N)c([C@H](O)c3ccncc3)sc2n1 1857593243 NBKYNQXJQOYCAD-CYBMUJFWSA-N 285.372 2.972 0 1 CFAF CCCC[C@H]1Oc2c(ccc(OC)c2OC)C1=O 1857639746 DUTITORXHWGIPL-SNVBAGLBSA-N 250.294 2.838 0 1 CFAF CC(=O)c1cn(-c2cc(C)c3[nH]c(=O)ccc3c2)c(C)n1 4238 PROWOQJRPMUIDN-UHFFFAOYSA-N 281.315 2.533 0 1 CFAF CC(C)CCN1C[C@H]2C[C@H]1C(=O)Nc1ccccc1O2 2356299753 OEFGAPMWQVSMRB-OCCSQVGLSA-N 274.364 2.507 0 1 CFAF CNC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2C 100728497 VVUBAWQWFHXQPO-KBUPBQIOSA-N 292.810 2.652 0 1 CFAF CCCCCC=CCCC[C@H](C(=O)O)[C@H](O)CC(=O)O 2356439614 XHJITGZAWUNULF-QWHCGFSZSA-N 286.368 2.830 0 1 CFAF Cc1cccnc1CNC(=O)[C@@]1(C)CCCN1CC(C)C 61929726 IVSKJEYVBNTKFA-QGZVFWFLSA-N 289.423 2.517 0 3 CFAF O=C(O)COc1cccc(-c2cc3ccccc3[nH]c2=O)c1 26729963 NBVKXTQKQKNYAT-UHFFFAOYSA-N 295.294 2.659 0 1 CFAF COC(=O)C(C)=CC[C@]12CCN(C)[C@H]1Nc1ccccc12 2356572634 IENBNBOKQXSCQE-IAGOWNOFSA-N 286.375 2.521 0 1 CFAF COC(=O)C1=CC[C@H]2c3[nH]c4ccccc4c3CCN2C1 31841819 KPCVECZIWABMFF-HNNXBMFYSA-N 282.343 2.570 0 1 CFAF CC1=C[C@@H](Cc2ccccc2)[C@@H](C(C)(C)O)C[C@@H]1O 85510791 PWGBVOTVOLKUPY-JYJNAYRXSA-N 260.377 2.943 0 1 CFAF biogenic,in-vitro CCN(C)C(=O)c1cnc(N(C)CC)nc1-c1ccccc1 82134257 DBYQLDVUGSKDJN-UHFFFAOYSA-N 298.390 2.692 0 1 CFAF Cc1nn(C)c(NC(=O)Nc2ccccc2)c1[N+]#N 95575411 MTGZRVNTKYTZGR-UHFFFAOYSA-O 257.277 2.857 0 1 CFAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2ncc[nH]c-2n1 587930086 CLVVXHXXGSBTAJ-ZBEGNZNMSA-N 280.331 2.758 0 1 CFAF Cc1c(Cn2cncn2)[nH]c2ccc(F)c(Cl)c12 587631737 KSWSOVUJGVJBHX-UHFFFAOYSA-N 264.691 2.909 0 1 CFAF CCOCc1ccc(-c2nc3cc(CO)ccc3[nH]2)o1 586904094 ZGEZIHFBRNHMCK-UHFFFAOYSA-N 272.304 2.852 0 1 CFAF OCc1ccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2c1 586898404 KLUCNDMVWAHKEI-UHFFFAOYSA-N 280.327 2.841 0 1 CFAF Oc1nc(O)c2ccc(-c3nccc4ccccc34)nc2n1 587553499 BXMYWXJGAFFBIA-UHFFFAOYSA-N 290.282 2.651 0 1 CFAF N[C@H](c1ccsc1)c1nc2c(F)cnc(Cl)c2[nH]1 587024552 CDLSCOLJDBQSMU-SSDOTTSWSA-N 282.731 2.860 0 1 CFAF O=C(O)c1cc2n(n1)C(C(F)(F)F)=C1CCCC=C1N2 957615352 XECCKMZKJFVWII-UHFFFAOYSA-N 285.225 2.848 0 1 CFAF CC[C@@]1(c2ccccn2)NCCc2c(C(=O)O)cccc21 963131267 NCNCWRZCPINWAP-QGZVFWFLSA-N 282.343 2.579 0 1 CFAF CCN(CC)c1ccc(-c2cccc(C#N)c2)nn1 207520249 XFTAXUKNZANNOL-UHFFFAOYSA-N 252.321 2.861 0 1 CFAF CNCCCc1cccc(CCc2cc(C)cc(N)n2)c1 1772571908 CUTMJYPBBFYFJH-UHFFFAOYSA-N 283.419 2.909 0 1 CFAF Cc1noc(C(=O)NCc2ccc(F)cc2)c1Cl 5007045 KNQMFWWQAFIVEZ-UHFFFAOYSA-N 268.675 2.706 0 3 CFAF COC(=O)C(=Cc1ccccc1)NC(=O)c1ccccc1 1857588682 RRFMDFQWIJAZQI-UHFFFAOYSA-N 281.311 2.631 0 1 CFAF CCCOc1ccccc1-c1nc(O)c2cncnc2n1 13755556 JSQKADIKWSKCGA-UHFFFAOYSA-N 282.303 2.581 0 1 CFAF COc1c(O)cc2c3c1-c1ccccc1C(=O)[C@@H]3NC=C2 2356378585 QENJHNQGWYKNJB-OAHLLOKOSA-N 279.295 2.879 0 1 CFAF Cc1nccc2[nH]c(=O)c(C(=O)N[C@H]3CCCC[C@H]3C)cc12 3061718 YPZXQFUWGAEUMU-YGRLFVJLSA-N 299.374 2.540 0 3 CFAF COC(=O)[C@@H]1[C@@H](c2cc3ccccc3[nH]2)C[C@H]2CC[C@H]1O2 101501456 KOKBPPDCKPRXAM-CZPYZCIJSA-N 285.343 2.992 0 1 CFAF CC(C)CN1CCc2nc(N3CCC(C)CC3)ncc2C1 21640226 YFOADQVHXGYPCN-UHFFFAOYSA-N 288.439 2.727 0 1 CFAF CCCCN1CCc2nc(N3CCC(C)CC3)ncc2C1 21640278 YOYRONGPYZIEEK-UHFFFAOYSA-N 288.439 2.871 0 1 CFAF C[C@@H](CC1CCCCC1)OC(=O)N[C@H]1CCN(C#N)C1 28351013 GLZGNFOBDIGKFZ-JSGCOSHPSA-N 279.384 2.627 0 1 CFAF COc1cccc([C@@H](CN(C)C)C2(O)CCCC2)c1 26742620 YDYSLQRCUQCVJN-OAHLLOKOSA-N 263.381 2.646 0 1 CFAF CCNC=C1N=C(c2[nH]ccc2Br)C=C1OC 2356669321 XKWPDTZEKXMRTF-UHFFFAOYSA-N 296.168 2.561 0 1 CFAF COc1cc(O)cc2c1/C(=C/c1ccc(O)cc1)C(=O)O2 70454603 RVZXSEMJMMVLJJ-SDQBBNPISA-N 284.267 2.566 0 1 CFAF biogenic,in-vitro c1ccc(Cc2nc3c(N4CCNCC4)cccc3[nH]2)cc1 45290660 YTVICZASURPPDE-UHFFFAOYSA-N 292.386 2.563 0 1 CFAF in-vivo N#Cc1cccc(-c2cn(-c3ccc(C(=O)O)cc3)nn2)c1 81103379 LPIQHCKSVKCSDF-UHFFFAOYSA-N 290.282 2.504 0 1 CFAF NC(=O)Nc1cc(-c2ccnn2-c2cccc(F)c2)ccn1 141252966 RRHVPTRNEKZKBT-UHFFFAOYSA-N 297.293 2.564 0 1 CFAF CCc1cnc(-n2nc(O)c(Cc3ccccc3)c2C)nc1 299869033 TUICGWLKQYMIME-UHFFFAOYSA-N 294.358 2.830 0 1 CFAF O=C(Nc1ccc(O)cc1)[C@@H]1CCc2ccccc2N1 653830157 RSXRGBDJPXRIRX-HNNXBMFYSA-N 268.316 2.758 0 1 CFAF Cc1ccc2nc([C@@H](C)n3cc(Cl)cn3)[nH]c2n1 587081585 CUPRCRDOEXUCGQ-MRVPVSSYSA-N 261.716 2.726 0 1 CFAF CC(C)(C)c1ccc2nc(/C=C\S(C)(=O)=O)[nH]c2c1 586926284 MXBFTKWPUYVEMS-FPLPWBNLSA-N 278.377 2.876 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccn1)O2 587393468 GYYLCVNJJFSRNV-INIZCTEOSA-N 268.316 2.853 0 1 CFAF COC(=O)[C@@H]1CCc2nc3cccc4c3c(c2C1)CC4 587213508 IUBVRWHYQSUPIG-LLVKDONJSA-N 267.328 2.611 0 1 CFAF COc1cc2nc(-c3c(N)cccc3O)[nH]c2cc1OC 587251057 XEJNERRGPNRIDU-UHFFFAOYSA-N 285.303 2.535 0 1 CFAF COc1ccc2nc([C@@H]3CCCC(=O)CC3)[nH]c2n1 586886975 RFWRYFFWLOLKCT-SECBINFHSA-N 259.309 2.583 0 1 CFAF Cc1c(Cl)ccc2nc(-c3nn(C)c(O)c3F)[nH]c12 587156522 ULYRFIGNUPLDKT-UHFFFAOYSA-N 280.690 2.770 0 1 CFAF CN1CCc2cnn(C)c2[C@@]12C(C)(C)[C@@H]1CC[C@@]2(C)C1 963954413 JSGVQQCQUDPZHO-COXVUDFISA-N 273.424 2.950 0 1 CFAF CC[C@H](C)CSC(=S)NCCCC[S@@](C)=O 1857654464 PBJANPMKZXATOM-MGPLVRAMSA-N 281.512 2.799 0 1 CFAF CCCN1CCO[C@@H]2c3cc(O)ccc3SC[C@@H]21 13809437 OMQYELRKBALQJF-GXTWGEPZSA-N 265.378 2.650 0 1 CFAF CCCc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O 14959870 HPWQQEIDSNASTF-UHFFFAOYSA-N 291.738 2.731 0 1 CFAF Cc1ccccc1-c1cnnc(NC[C@@H]2CCCCO2)n1 14966423 ZUEWTDIYXLQCME-ZDUSSCGKSA-N 284.363 2.828 0 1 CFAF CC(C)CNc1cc(NC(=O)c2cccc(F)c2)ncn1 169340515 KVKMUJBJBHYMFN-UHFFFAOYSA-N 288.326 2.936 0 1 CFAF O=C(CCCCCCN1CCc2ccccc2C1)NO 143420292 LOEFBHPFPGYXOH-UHFFFAOYSA-N 276.380 2.501 0 1 CFAF O=C1Nc2ccccc2C(=O)N2C=C(c3ccccc3)C[C@@H]12 28714145 WGIXIJRBXYWEQY-INIZCTEOSA-N 290.322 2.894 0 1 CFAF CCCc1cc2c(cc1O)O[C@@H](C)[C@H](n1ccnc1)C2=O 27331254 FEKOZEVFHOOMHA-BONVTDFDSA-N 286.331 2.746 0 1 CFAF COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@H]1c1ccc(C)c(F)c1)N2 29475291 QDZIBQWKRRRXAL-PAPYEOQZSA-N 277.339 2.531 0 1 CFAF CN1CCCC[C@]1(C)C(=O)NCc1cc(Cl)ccc1F 61908624 IFTMWFMJKXSTHF-OAHLLOKOSA-N 298.789 2.970 0 3 CFAF CC(C)C(=O)[C@@](O)(Cn1ccnc1)c1ccc(Cl)cc1 26008579 DPLAAXUTVBZPEW-OAHLLOKOSA-N 292.766 2.649 0 1 CFAF COC1=C[C@@H]2Oc3cc(OC)cc(C)c3C(=O)[C@H]2C(O)=C1 2356589845 VPEWYQPRZOSYDH-ZFWWWQNUSA-N 288.299 2.549 0 1 CFAF COc1cccc2c1O[C@@H]1c3ccccc3OC(=O)[C@H]1C2=O 2356676614 VLLJCCABEVTDGI-XJKSGUPXSA-N 296.278 2.547 0 1 CFAF Cn1nc(C(=O)n2ccnc2)c2c1-c1ccccc1SC2 20485235 NXBKWLTYJWSDDW-UHFFFAOYSA-N 296.355 2.578 0 1 CFAF Nc1nc(-c2ccco2)c2cnn(Cc3ccccc3)c2n1 29047248 RPXZQPYMRFTGOH-UHFFFAOYSA-N 291.314 2.717 0 1 CFAF O=C1NC(=O)[C@H](c2ccccc2)C[C@H]1c1ccccc1 73198574 GVWPXFWNBAQNGU-GJZGRUSLSA-N 265.312 2.601 0 1 CFAF CCC1=CN2C(=O)c3ccc(OC)c(O)c3N=C[C@@H]2C1 42966811 FLGURYUVNVBBFP-JTQLQIEISA-N 272.304 2.625 0 1 CFAF COc1nc2sccn2c1/C=C1/C(=O)Nc2ccccc21 84708363 IXAIAQWBUULBQT-CSKARUKUSA-N 297.339 2.897 0 1 CFAF Cc1c(F)cccc1C(=O)N1Cc2ccccc2C[C@H]1CO 40567352 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586885797 NZBWKSYAJFYUFR-OUAUKWLOSA-N 283.331 2.605 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1nc(C)cs1)[C@@H](C2)C3=O 587449024 CZQKBNNEVIGMSL-IINYFYTJSA-N 287.340 2.949 0 1 CFAF Nc1cncc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 587254447 QFCLNWSNXFILCF-UHFFFAOYSA-N 280.118 2.909 0 1 CFAF NC1CC(Cc2nc3ccc4c(c3[nH]2)CCCC4)C1 587255231 JWVRPWJENWQSCM-UHFFFAOYSA-N 255.365 2.722 0 1 CFAF Cc1cnc(Cl)c2[nH]c([C@H]3CC[C@@H](O)CC3)nc12 586897991 FWEXWCDZGVVSCS-DTORHVGOSA-N 265.744 2.938 0 1 CFAF COC(=O)[C@@H]1CCc2nc3cccc4c3c(c21)CC4 587212520 ASMAJHFUTPRRPB-LLVKDONJSA-N 253.301 2.536 0 1 CFAF CCC[C@@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)C(C)C 587956253 PELNVOBWLLNCDB-LLVKDONJSA-N 295.408 2.750 0 1 CFAF Cc1cc(Br)c2[nH]c([C@H](N)[C@H](C)F)nc2c1 587126222 VTMAGHAXPSFZLJ-IMTBSYHQSA-N 286.148 2.992 0 1 CFAF CNc1cc(Cl)ccc1-c1nc2cncnc2[nH]1 587066160 GMVFQIHDNYLYPN-UHFFFAOYSA-N 259.700 2.715 0 1 CFAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2c(N)ncnc2[nH]1 587952478 RTSCSRNRHDCACV-DCAQKATOSA-N 289.383 2.982 0 1 CFAF Cc1cc(-c2ccc3c(O)nc(O)nc3n2)ccc1F 587369029 ZZGZWEPNFDTVBE-UHFFFAOYSA-N 271.251 2.551 0 1 CFAF CNC(=O)[C@H]1C[C@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1 587236374 VMIORRWUPOYMSW-RQJHMYQMSA-N 284.146 2.719 0 1 CFAF Cc1ccc([C@@]2(CN)CC(=O)c3cc(C)cc(N)c3O2)cc1 587389347 JYZVOHRMCMKNKY-SFHVURJKSA-N 296.370 2.705 0 1 CFAF Cc1c(-c2nc3c(O)nccc3[nH]2)oc2c1[C@H](O)CCC2 586903554 LHYDYXYCHVCKQA-SECBINFHSA-N 285.303 2.602 0 1 CFAF c1cc2c3c(c4c(nc3c1)CCC1(C4)OCCO1)CC2 587216243 XHALUUHHGFJTMG-UHFFFAOYSA-N 267.328 2.565 0 1 CFAF CCOc1ccc(-c2nc(C[C@H](N)N=O)c(C)o2)cc1 957756856 VFNSZXHJZXXQDL-CYBMUJFWSA-N 275.308 2.642 0 1 CFAF OCc1cccn2c(C3(c4ccc(Cl)cc4)CC3)nnc12 141969175 QHHUTGUKHPGDBA-UHFFFAOYSA-N 299.761 2.955 0 1 CFAF O=C1N=C(Nc2ccc(-c3nc4ccccc4[nH]3)cc2)CN1 1772587186 YBGPFEGNCXTPDS-UHFFFAOYSA-N 291.314 2.764 0 1 CFAF CNCCN1CCC(OCc2cccc(Cl)c2)CC1 1772637553 GMMYYQFKUWMMHS-UHFFFAOYSA-N 282.815 2.540 0 1 CFAF CC(=O)OCCCc1nc(-c2ccc(Cl)cc2)no1 1772602448 GENBTVYGHPDLOA-UHFFFAOYSA-N 280.711 2.886 0 1 CFAF O=C1CC[C@@H]2C[C@H](C(=O)c3ccccc3)CC[C@@H]2CN1 5809756 ADHLYWFPKZJMJV-RBSFLKMASA-N 271.360 2.812 0 1 CFAF CN(Cc1cccc(-c2cn[nH]c2)c1)C1CCOCC1 19744938 RBFPNEUVPYPBCY-UHFFFAOYSA-N 271.364 2.688 0 1 CFAF CC1=C2C[C@]3(C)[C@@H](C)CCC[C@]3(O)C[C@@H]2OC1=O 169674082 MVFHOCUIRUKOFG-GGZSPTBLSA-N 250.338 2.580 0 1 CFAF Cc1ccc2c(c1)NC[C@@H](C(=O)NC1CCC(C)CC1)O2 261341 YIDKURKGORMLMZ-TZDAIYRESA-N 288.391 2.863 0 3 CFAF CCCNc1nc(C)nc(C(Cl)(Cl)Cl)n1 2014372 VUMRRVXAAWCMQK-UHFFFAOYSA-N 269.563 2.829 0 1 CFAF O=C(O)Cc1ccc2c(c1)OC[C@H]1CCCC[C@@H]1C2=O 27558602 XVYARSQIUUEDCN-NEPJUHHUSA-N 274.316 2.695 0 1 CFAF CN(C)CC[C@@H]1CN(C)C(=S)c2cc(Cl)ccc2O1 26270381 BVNCCFYFPFDKKP-LLVKDONJSA-N 298.839 2.660 0 1 CFAF COc1cccc(-n2cc3c(n2)c(=O)[nH]c2ccccc23)c1 28710889 QCEZYGVYMOEOOZ-UHFFFAOYSA-N 291.310 2.876 0 1 CFAF O=c1[nH]c(-c2ccccc2CO)cc2ccccc12 40845422 FQGFQBFZUQZSPD-UHFFFAOYSA-N 251.285 2.687 0 1 CFAF Cc1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](C4)[C@@]3(C)C2=O)c1 195447188 HQFQBZPCZUXJHZ-ALYFQZSWSA-N 267.328 2.697 0 1 CFAF Cc1cnc2[nH]c(-c3cc(=N)[nH]c4ccccc34)nc2c1 587254031 OWEXLDLWKIWLTI-UHFFFAOYSA-N 275.315 2.894 0 1 CFAF Cc1cc2c(O)nc(O)nc2nc1CCCC(C)C 587561291 NGMOEVVCXKTCFL-UHFFFAOYSA-N 261.325 2.723 0 1 CFAF Cn1ccnc1-n1nc2cc1Oc1ccc(F)cc1-2 587874641 HCFDQXGXUOVSKC-UHFFFAOYSA-N 256.240 2.518 0 1 CFAF CC(C)[C@H](N)c1nc2c(F)cnc(Br)c2[nH]1 587259556 VOGSTERSEYMUJX-LURJTMIESA-N 287.136 2.515 0 1 CFAF Cc1c(-c2ccnc(Cl)c2)ccc2c1CCNC2=O 1857549859 ZBKMXGIOCRPJSN-UHFFFAOYSA-N 272.735 2.996 0 1 CFAF Cc1cc(-c2ccco2)n(CC(=O)NCc2ccccc2)n1 5137391 YEZGFUBROKMHAV-UHFFFAOYSA-N 295.342 2.768 0 3 CFAF Nc1cccc([C@]23SCCN2C(=O)c2ccccc23)c1 5939512 OSSPYALNBGOJSE-MRXNPFEDSA-N 282.368 2.673 0 1 CFAF CCN(CC)[C@@H](C)Cc1ccc(OC)c(OC)c1 169322879 KQMOMMCXFSQQHC-LBPRGKRZSA-N 251.370 2.977 0 1 CFAF Cn1ccc([C@H](CC(=O)O)c2ccc(Cl)cc2)cc1=O 1857618411 AMEUMOTVCRUXGA-CYBMUJFWSA-N 291.734 2.645 0 1 CFAF Cn1c(-c2ccc(O)cc2)cc(=O)c2ccccc21 13826691 IVVGAXUISDFFMZ-UHFFFAOYSA-N 251.285 2.911 0 1 CFAF biogenic,in-vitro CCCN(CCC)CCc1cccc(NS(C)(=O)=O)c1 26259583 RLDCPSFUJQPFEY-UHFFFAOYSA-N 298.452 2.723 0 1 CFAF CCOC(=O)[C@H](C(C)C)[C@H](N)Cc1ccc(F)cc1 2944922 UTBUMZRCKSPAIC-ZIAGYGMSSA-N 267.344 2.531 0 3 CFAF COC[C@@]12N[C@H](Cc3ccccc31)c1ccccc12 100660035 CGNHFLLBSFJUGU-IAGOWNOFSA-N 251.329 2.777 0 1 CFAF C=C1C=C(C)n2ncc(C(=O)NCCCCCC)c2N1 102904296 FPERHLZSJYHHHP-UHFFFAOYSA-N 274.368 2.993 0 1 CFAF CNC(=O)N(C)[C@@H]1c2cc(C)ccc2Oc2ncccc21 28019905 KENYSAPTWKJIMW-AWEZNQCLSA-N 283.331 2.856 0 1 CFAF CCCNC(=O)[C@]1(C)CCCN(Cc2cccs2)C1 61908458 AMCURNYDQFZLOF-OAHLLOKOSA-N 280.437 2.876 0 3 CFAF Cc1ccc(-c2nnc3nc4ccccc4n3c2O)cc1 25975806 ASOARVRSLNXSEG-UHFFFAOYSA-N 276.299 2.959 0 1 CFAF COC(=O)c1occ2c1C(C)=C1C[C@](C)(CO)C[C@H]1C2 2356585630 WUGZRDYLMJPRIL-QLJPJBMISA-N 276.332 2.804 0 1 CFAF CC(C)(O)[C@@H]1CC[C@](C)(O)[C@]2(C)CC[C@@](C)(O)[C@@]2(C)C1 2356792579 JWJOVQPNPYQUDW-FMPTWSOUSA-N 284.440 2.866 0 1 CFAF O=C(O)c1c(O)ccc2oc(-c3ccccc3O)nc12 2356801875 RSOMHRDRNWTWID-UHFFFAOYSA-N 271.228 2.604 0 1 CFAF OC1=C[C@@H]2OC(c3ccc(O)cc3)=CC=C2C(O)=C1 2356814839 CLQSOFPMUYAYAE-HNNXBMFYSA-N 256.257 2.956 0 1 CFAF CCc1nc(/C=C2\C(=O)Nc3ccc(C(C)=O)cc32)c(C)[nH]1 72107274 FXNNXPZDNVYJBC-JYRVWZFOSA-N 295.342 2.976 0 1 CFAF O=S(=O)(c1ccc(O)cc1)c1cc(Cl)ccc1O 40422799 GKZDBGDFODLGSJ-UHFFFAOYSA-N 284.720 2.584 0 1 CFAF CO[C@@H]1C=CC(=O)O[C@@H](C)CCCC=C[C@@H]2C[C@H](O)C[C@H]21 299812374 XUHVOYMFCDAZJW-ZVDSWSACSA-N 294.391 2.617 0 1 CFAF N=c1ccc(Cc2nc3cnc4ccccc4c3[nH]2)c[nH]1 587254583 OHFMJPLOXGUNPP-UHFFFAOYSA-N 275.315 2.509 0 1 CFAF Cc1c(F)ccc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c12 587249832 NWGZBXBQFUBFJO-UHFFFAOYSA-N 299.305 2.882 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCCC[C@H]1O)O2 587405240 VCYKLWQYJJQGHL-NVXWUHKLSA-N 289.375 2.996 0 1 CFAF C[C@H]1CCc2sc(-c3nc4c(O)nncc4[nH]3)cc2C1 587034442 VDKSRBYEQJUAQO-ZETCQYMHSA-N 286.360 2.912 0 1 CFAF COc1ncc(F)cc1-c1nc2cc(F)ccc2[nH]1 587176106 NHJPLHDFWKXXHP-UHFFFAOYSA-N 261.231 2.912 0 1 CFAF C=C(NC(C)=O)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587202230 BLDWHIFYDKQVPC-UHFFFAOYSA-N 287.216 2.828 0 1 CFAF Oc1nccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 587035500 QUIGNMROZSKVIV-JTQLQIEISA-N 287.344 2.582 0 1 CFAF Cc1ccc2nc(-c3cccc(N)c3C(=O)O)[nH]c2c1 587250366 NLCXSYHKWIRSIF-UHFFFAOYSA-N 267.288 2.819 0 1 CFAF CC(C)c1cc2c(s1)N/C(=C/SCC(=O)O)NC2=O 958059164 WTCQPASBWWIWDC-RUDMXATFSA-N 298.389 2.644 0 1 CFAF CCOC(=N)n1cnc2c(sc3cc(F)ccc32)c1=O 1857631541 MOGQUBHGONNODF-UHFFFAOYSA-N 291.307 2.570 0 1 CFAF NC[C@@H]1Cc2ccc(F)cc2[C@@H](c2ccccc2)O1 11680167 AFYFIUCXBSVQSE-GOEBONIOSA-N 257.308 2.815 0 1 CFAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(F)c(C)c1)N2 169351248 MMLRFWSQUZRITP-NEBZKDRISA-N 277.339 2.531 0 1 CFAF COc1ccc2ccc(OC)c(CCNC(C)=O)c2c1 13741577 GURZWDBOLSYLPG-UHFFFAOYSA-N 273.332 2.536 0 1 CFAF O=C1CS[C@@H](c2cccnc2)N1c1ccc(F)cc1 423936 VJALOKGJVTUPDC-AWEZNQCLSA-N 274.320 2.999 0 3 CFAF Nc1cccc(Cn2cc(CC(=O)O)c3ccccc32)c1 103264215 SDYVLYMUVUICBE-UHFFFAOYSA-N 280.327 2.899 0 1 CFAF C[C@@H](Nc1ccccc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 101757335 SEHHKQQZYWVTJL-SNPRPXQTSA-N 288.391 2.655 0 1 CFAF Cc1cccc(NC(=O)c2cc(C)c(C)cc2C(=O)O)n1 103233763 DICAYJOXNVIRMY-UHFFFAOYSA-N 284.315 2.957 0 1 CFAF O=C1C=C(C(F)(F)F)[C@@H]2C=CC(NC3CCCC3)=C[C@H]2N1 101438424 CCKPVDRMFZJORS-WCQYABFASA-N 298.308 2.576 0 1 CFAF CCC1(CC)OC(NC2C3CC4CC(C3)CC2C4)=NC1=O 28823994 WULXYYUOASTTQV-UHFFFAOYSA-N 290.407 2.872 0 1 CFAF CC(=O)N1N=C(c2cc(Cl)ccc2N)SC1(C)C 73278996 AXJXOVDIHVWZQX-UHFFFAOYSA-N 283.784 2.915 0 1 CFAF NCCC(=O)Nc1ccccc1-c1nc2ccccc2o1 71318311 AKSQLBRZDHDDDM-UHFFFAOYSA-N 281.315 2.782 0 1 CFAF CC(=O)CCC1=CC[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H]1C 73140893 KVWUOMNJFDNWQM-BNQQVVLKSA-N 250.338 2.890 0 1 CFAF biogenic,in-vitro COc1ccc(F)cc1CC[C@H]1CC[C@H](CCN)O1 35875088 FOEJRTWJHDIANT-UONOGXRCSA-N 267.344 2.663 0 1 CFAF in-vitro COc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1 40847172 HVELTVXSVCFFQC-UHFFFAOYSA-N 268.316 2.666 0 1 CFAF NC1CCC(N[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 149658056 GADXVPHSTSJKLA-KQFUTBAXSA-N 266.335 2.680 0 1 CFAF O=C(O)c1ccc(-c2cc(=O)c3ccc(O)cc3o2)cc1 96914983 WCEDKYQLWVWXMR-UHFFFAOYSA-N 282.251 2.864 0 1 CFAF Cc1csc(C(=O)Nc2cccc(Cl)n2)n1 653802232 ZXLMPMQHICHVST-UHFFFAOYSA-N 253.714 2.752 0 1 CFAF CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 587235916 SGPJYAFQHLAUSG-NTSWFWBYSA-N 284.146 2.719 0 1 CFAF O=C1C[C@H]([C@@H]2CCOC2)Oc2c1ccc1c2CCCC1 587529987 AFYXEVKPDDWWCR-MLGOLLRUSA-N 272.344 2.936 0 1 CFAF Cc1nc2[nH]c(C3=COCC3)nc2cc1Br 586913459 OXJHUWFPGJUIBF-UHFFFAOYSA-N 280.125 2.790 0 1 CFAF Clc1ncc(-c2nc3cc4cn[nH]c4cc3[nH]2)cn1 587085284 QPAFTXRPLSKFEK-UHFFFAOYSA-N 270.683 2.550 0 1 CFAF CCOC(=O)[C@@H]1[C@H]2Cc3nc4cccc5c4c(c3[C@@H]21)CC5 587214768 UJWSJKDKCZLNTL-YMRXKLBXSA-N 279.339 2.782 0 1 CFAF Cc1cc2[nH]c(C(C)(C)SCC(=O)O)nc2c(C)n1 586958258 APROJEJYXPXHMX-UHFFFAOYSA-N 279.365 2.628 0 1 CFAF Cc1cc([C@@H]2NCCc3ccc(O)cc32)cnc1C 963352584 MKSOPJYZGKYFLZ-INIZCTEOSA-N 254.333 2.639 0 1 CFAF Cc1ccccc1CNC(=O)n1c(N)nc2ccccc21 1772598671 UOLYBTCCKNBIKO-UHFFFAOYSA-N 280.331 2.685 0 1 CFAF O=C1[C@H]2CC3C[C@H]1CC(NCc1cc(C4CC4)on1)(C3)C2 1772615960 HPVRFXBBMLWVRC-RILABDALSA-N 286.375 2.789 0 1 CFAF C[C@H](CNC(=O)Cn1cc2c(n1)CCCC2)c1ccccc1 5147226 SCVPAVOOLQRYLU-CQSZACIVSA-N 297.402 2.682 0 1 CFAF Nc1nc(N)c2c(CSc3ccccc3)coc2n1 5974659 IDRUEHBEYROHLG-UHFFFAOYSA-N 272.333 2.680 0 1 CFAF C[C@@H]1C[C@@](O)(CC(=O)O)c2c(Cl)ccc(Cl)c2O1 13456187 NKBWXLGKSPNWIC-SREIQFSDSA-N 291.130 2.827 0 1 CFAF CCn1sc(=O)n(Cc2ccccc2)c1=S 13472776 UJAAUYOYAOCFDA-UHFFFAOYSA-N 252.364 2.509 0 1 CFAF CC[C@H](N)[C@H]1C[C@]1(C(=O)N(CC)CC)c1ccccc1 13760489 LFIMCYFWWBLEGS-VYDXJSESSA-N 274.408 2.550 0 1 CFAF CCCCCC=CCCC[C@H](C(=O)O)[C@@H](O)CC(=O)O 2356439615 XHJITGZAWUNULF-STQMWFEESA-N 286.368 2.830 0 1 CFAF COc1ccccc1-c1nc(-c2ccccc2O)n[nH]1 6424933 ACPUUOOUSKDNFW-UHFFFAOYSA-N 267.288 2.853 0 1 CFAF COc1cc(N(C)C)ccc1-c1nc2cc[nH]cc-2n1 100965769 MYYHGZWCYKPACF-UHFFFAOYSA-N 268.320 2.651 0 1 CFAF COc1ccc(C=O)cc1-c1cc(C=O)ccc1O 66252302 URLXQYARPIXQFO-UHFFFAOYSA-N 256.257 2.693 0 1 CFAF CO/C(O)=C1\C(C)=NC(C)=C([N+](=O)[O-])[C@@H]1c1ccncc1 27561122 SJLFWXRSFJLMSE-SLQMCABGSA-N 289.291 2.564 0 1 CFAF CC(C)OC(=O)NC1=N[C@H](c2ccccc2Cl)CN1C 27720242 FMTVARCOVZGWOA-LBPRGKRZSA-N 295.770 2.817 0 1 CFAF O=C1c2ccccc2O[C@@H](c2cccnc2)[C@@H]1n1ccnc1 27326378 GYKYMKFFXFAOFE-WBVHZDCISA-N 291.310 2.836 0 1 CFAF CC(C)(C)c1cc(N2CCC(O)=NC2=O)ccc1O 84653217 VETGGSIKNGEXHK-UHFFFAOYSA-N 262.309 2.976 0 1 CFAF O=C(CCc1ccc(O)cc1)C[C@@H](O)Cc1ccccc1 49784541 VCYPQOKOSXRSOW-SFHVURJKSA-N 284.355 2.888 0 1 CFAF O=C1Cc2cc(-c3nc4ccccc4s3)ccc2C(=O)N1 653711558 RVXITHBREQEZAH-UHFFFAOYSA-N 294.335 2.776 0 1 CFAF Cc1c(-c2nccn2C)[nH]c2c(C(=O)O)cccc12 587638170 NBUPSIAPHGIDBP-UHFFFAOYSA-N 255.277 2.575 0 1 CFAF CCCn1nccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432531 QFOJSUXAJDDSMS-PXAZEXFGSA-N 298.342 2.790 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3[nH]c(O)cc31)O2 587396870 QKTBFBFZSJDWBP-QGZVFWFLSA-N 298.342 2.808 0 1 CFAF c1cc2[nH]c(C[C@@H]3OCCc4ccsc43)nc2cn1 587035341 PAVBSIHWICAVLZ-LBPRGKRZSA-N 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LSWRWYRRWANDSX-SJCJKPOMSA-N 288.391 2.643 0 1 CFAF Fc1cnc(Br)c2[nH]c(C3=COCC3)nc12 586912084 CVSJLHNGSNBUCI-UHFFFAOYSA-N 284.088 2.621 0 1 CFAF COc1ccc([C@H](O)[C@H](C)c2nc3cnccc3[nH]2)cc1 587935205 HCSXHBRUDCDGMA-ZUZCIYMTSA-N 283.331 2.804 0 1 CFAF N=c1[nH]ccc2nc([C@H]3SCCc4sccc43)[nH]c12 587037827 YUWSIRKZBZAKPR-NSHDSACASA-N 288.401 2.811 0 1 CFAF COc1nccc2[nH]c(C3=Cc4cccc(O)c4OC3)nc12 586907675 IMGACKYPSBIMPJ-UHFFFAOYSA-N 295.298 2.605 0 1 CFAF CC(C)(O)CC[C@@]1(C)CC(=O)c2cc(O)ccc2O1 1857575993 BMNCXFOSJYBZRW-HNNXBMFYSA-N 264.321 2.667 0 1 CFAF CN[S@](C)(=O)=Nc1ccc(C(F)(F)F)cc1 1772610901 JTAXARFICOHYMR-INIZCTEOSA-N 252.261 2.569 0 1 CFAF Cc1cnc(C[S@](=O)c2nc3cscc3[nH]2)c(C)c1 13448574 MPKJWZHFEKRBIP-LJQANCHMSA-N 291.401 2.944 0 1 CFAF Cc1c(C)c2c(c(C)c1N)C[C@](C)(Cn1ccnc1)O2 13652117 GTBDDMWEEBLCDT-MRXNPFEDSA-N 271.364 2.784 0 1 CFAF CCc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2 13741312 VSVKLTLXHHNTOE-UHFFFAOYSA-N 275.739 2.674 0 1 CFAF C[C@@H](NC(=O)N(C)O)c1cc2ccccc2s1 13762796 KCFWLECYMSLCCC-MRVPVSSYSA-N 250.323 2.993 0 1 CFAF C[C@]12CO[C@@]3(C(=O)Nc4nccs4)C[C@@H]1CC[C@]32C 169305294 BTWJITAQMDZBHX-NZPIUUIZSA-N 278.377 2.677 0 1 CFAF CN1CCC(c2c[nH]c3ccc(-n4cnnc4)cc23)CC1 5932 VXEWHMQYWRWFDO-UHFFFAOYSA-N 281.363 2.558 0 1 CFAF CSc1cccc(N2C(=O)[C@H]3CCCN3C2=S)c1 217531 URDBJXICMWGWIX-LLVKDONJSA-N 278.402 2.504 0 3 CFAF C[C@@]1(c2cccnc2)CC(=O)c2cc(O)ccc2O1 259688 WQOAATPPOCHGBN-HNNXBMFYSA-N 255.273 2.668 0 1 CFAF CC(C)(COCCCO)Nc1cccc2c1CCCC2=O 4096586 IQZCWDNBWYELAW-UHFFFAOYSA-N 291.391 2.795 0 1 CFAF in-vitro CS[C@]1(C)C[C@@H]2[C@@H](C[C@@H]1N1CCOCC1)C2(C)C 105509801 LZTQTTOSHLGSSO-GUIRCDHDSA-N 269.454 2.875 0 1 CFAF COC(=O)C1=Cc2ccc3ccccc3c2OC(=O)C1 1911586088 QPLCNZUOKUIDDB-UHFFFAOYSA-N 268.268 2.705 0 1 CFAF C=Cc1ccc(OC)c(NC(=O)c2cnn3cccnc23)c1 113654373 OHRJPWCNBBTUIX-UHFFFAOYSA-N 294.314 2.633 0 1 CFAF c1nc(SCCCNC2CCCCC2)c2[nH]cnc2n1 28707917 BSONBUBZPOJFAE-UHFFFAOYSA-N 291.424 2.757 0 1 CFAF CC1=CC[C@@H](O)C[C@H]1N(C)C=Cc1ccc(O)cc1 2356524075 PFNAYQCGWMWAMD-HZPDHXFCSA-N 259.349 2.764 0 1 CFAF O=C(O)c1cc2nc3cc(Cl)c(Cl)cc3c(O)n2n1 27847962 CBTYUHSTZYKWJZ-UHFFFAOYSA-N 298.085 2.593 0 1 CFAF COCCn1cnc2cnc(Nc3cccc(OC)c3)cc21 74388867 GILDPSXWJCZYGV-UHFFFAOYSA-N 298.346 2.830 0 1 CFAF Cc1cccc2c(=O)[nH]c3c(c12)CO[C@@H](C(C)C)C3 210419930 IJUFQFXULPPVLY-CQSZACIVSA-N 257.333 2.934 0 1 CFAF in-vitro O=C(O)C[C@@H](O)CCc1ccc(-c2ccncc2)cc1 45291649 TZHJNXZNYZBVDK-HNNXBMFYSA-N 271.316 2.517 0 1 CFAF COc1ccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2n1 587163122 KYYLSIHSBKFDJC-UHFFFAOYSA-N 299.305 2.921 0 1 CFAF Cc1cc(F)c2[nH]c([C@@H]3CC(=O)OC3(C)C)nc2c1 586905915 ADWDBHVWCBSCAI-QMMMGPOBSA-N 262.284 2.820 0 1 CFAF CCCc1c(O)ccc2c1O[C@@](C)(CN=O)CC2=O 587469328 NFVODQHKOMIPIB-CQSZACIVSA-N 263.293 2.835 0 1 CFAF C[C@@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)N(C)C 587192142 ROVXNADOJLXOOZ-ZETCQYMHSA-N 255.724 2.848 0 1 CFAF O[C@@H](c1nc2cnccc2[nH]1)c1ccccc1Cl 587059275 NJVCIKDFAPRVAE-GFCCVEGCSA-N 259.696 2.693 0 1 CFAF CCCC[C@@H]1CCc2nc3nc(O)nc(O)c3cc2C1 587561343 GSCQYJMMZAGEGW-SECBINFHSA-N 273.336 2.731 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cn1cccn1)(C(C)C)O2 587390710 HUSOOENNJPYWES-QGZVFWFLSA-N 299.374 2.834 0 1 CFAF COc1ccc(C=O)c(-c2nc3c(O)cccc3[nH]2)c1OC 587786705 PIOFZBADPVKHEW-UHFFFAOYSA-N 298.298 2.765 0 1 CFAF CC(=O)Nc1cccc(Cc2nc3ccc(O)cc3[nH]2)c1 587242409 KTDPTJMVQHTGEW-UHFFFAOYSA-N 281.315 2.818 0 1 CFAF O=C(CCc1ccc(O)cc1)c1cc(O)ccc1O 1857751050 KYUSRNXZBKSLLR-UHFFFAOYSA-N 258.273 2.619 0 1 CFAF NCc1c(-c2ccccc2)c(C(=O)O)c2ccccn12 1772630834 VMUJASMKVZSIID-UHFFFAOYSA-N 266.300 2.763 0 1 CFAF CC[C@]1(c2ccccc2O)OC[C@H]([C@@H]2CCCCN2)O1 13453449 TZUQLDKFSCAFKL-IMJJTQAJSA-N 277.364 2.513 0 1 CFAF CCCC(=O)Nc1n[nH]c2cnc(-c3ccccc3)nc12 13489655 OLQOBGISDJZONR-UHFFFAOYSA-N 281.319 2.759 0 1 CFAF O=C(O)C(=O)CC(=O)c1cccc(NCc2ccccc2)c1 13531973 SPMMLCCLNJGITG-UHFFFAOYSA-N 297.310 2.525 0 1 CFAF Cn1cccc1CCNC(=S)Nc1ccc(Cl)cn1 13759883 ZSZWKTOHWQELQK-UHFFFAOYSA-N 294.811 2.603 0 1 CFAF Cc1ccc2nc(CNc3ccc(C(=N)N)cc3)[nH]c2c1 1857597583 GGZYFOWLQJOBDD-UHFFFAOYSA-N 279.347 2.767 0 1 CFAF CCN(CC)CC[C@@]1(C2CCCCC2)CCC(=O)NC1=O 1629023 BWHIHAGNNJHXAY-QGZVFWFLSA-N 294.439 2.722 0 1 CFAF CC(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)CC[C@]3(C)[C@]1(C)[C@]21CO1 4214539 HNEGCRMUYSKRRR-IKIFYQGPSA-N 292.375 2.611 0 1 CFAF O=C1C[C@@H]2CC[C@@H](C1)N2CCCC(=O)c1ccc(F)cc1 100757849 JSYYJKRFHUQKLJ-GJZGRUSLSA-N 289.350 2.985 0 1 CFAF O=C1O[C@@H]2[C@H](C[C@@H]1Cc1ccccc1)C2(Cl)Cl 58596617 DBRQQOGLJMVSRB-GARJFASQSA-N 271.143 2.965 0 1 CFAF Nc1ccncc1-c1ccccc1O[C@H]1C[C@@H]2CNC[C@H]1C2 58468769 DQKGYJNWJXXUPR-VFVRVIDISA-N 295.386 2.708 0 1 CFAF COc1cc2cc(N3CCCCC3)nc(N)c2cc1OC 25986350 ZUJVYZPKWKRLPE-UHFFFAOYSA-N 287.363 2.825 0 1 CFAF O=C1NC(=O)c2c1c1c(c3[nH]c4ccccc4c23)CCC1 28570514 UYZYLAFMPDNCIK-UHFFFAOYSA-N 276.295 2.693 0 1 CFAF O=C1C[C@H](c2cc3c(c(OC4CCCC4)c2)OCC3)CN1 29544731 NLTGRYQJUGRAGE-ZDUSSCGKSA-N 287.359 2.546 0 1 CFAF Clc1ccc(-n2nncc2-c2ccncc2)cc1 26170471 PODSVIRSDGEVDW-UHFFFAOYSA-N 256.696 2.983 0 1 CFAF Nc1cc([C@H]2CCCNC2)nc2c(-c3ccsc3)cnn12 60327535 VVTMRBUGTGXKQL-JTQLQIEISA-N 299.403 2.507 0 1 CFAF CC[C@@H](C)NC(=O)C=CC=Cc1ccc2c(c1)OCO2 2356654531 AELCSTBSEIVBBX-GFCCVEGCSA-N 273.332 2.899 0 1 CFAF Oc1cc2c3c(c1)-c1cc4c(cc1[CH]N3CC2)OCO4 2356818526 RCKXNBXVCIPQRB-UHFFFAOYSA-N 266.276 2.674 0 1 CFAF C[C@]12CCC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 34164813 SXIPXKUAHBNRLJ-RJLXBAIYSA-N 291.435 2.869 0 1 CFAF CS(=O)(=O)N1N=C2CCCC[C@H]2[C@H]1c1ccc(F)cc1 42989242 KLRLPNHPDPJMOW-TZMCWYRMSA-N 296.367 2.688 0 1 CFAF Nc1nc(N)c2c(OC3CCCCC3)cccc2n1 84668988 CTNRBBPOAMNKTJ-UHFFFAOYSA-N 258.325 2.506 0 1 CFAF CC(C)CC(=O)C[C@@](C)(O)[C@H]1CC=C(C(=O)O)CC1 238733050 XEODLVZRFHRTCH-SWLSCSKDSA-N 268.353 2.554 0 1 CFAF O=C(NCCCCCc1ccccc1)n1cccn1 299823964 CLDBYFZEIMPYTR-UHFFFAOYSA-N 257.337 2.854 0 1 CFAF Cc1cc2cccc(NCCCN(C)C)c2nc1O 473133768 DMHFWPATBJKDSY-UHFFFAOYSA-N 259.353 2.612 0 1 CFAF Cc1c([C@@H](C)CN(C)C)[nH]c2ccc(S(C)(=O)=O)cc12 587650850 VQSIFFVYEIKGBF-JTQLQIEISA-N 294.420 2.545 0 1 CFAF CC(=O)N[C@H](Cc1nc2cccnc2[nH]1)c1ccc(C)cc1 587217415 VWCJGCQBUYPKEB-OAHLLOKOSA-N 294.358 2.686 0 1 CFAF Cc1cc(Cl)cc2nc([C@@H](O)C3CCOCC3)[nH]c12 586912374 CTCOUECWUGJVEZ-ZDUSSCGKSA-N 280.755 2.985 0 1 CFAF OCc1ccc2nc(C(F)(F)c3ccccn3)[nH]c2c1 587090568 ROURZTGNDKKLMV-UHFFFAOYSA-N 275.258 2.590 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(O)c1)O2 587404886 SSQXHULICXVSOP-OAHLLOKOSA-N 269.300 2.989 0 1 CFAF COc1cc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2cn1 587176206 HMLKVMBAYVGATL-UHFFFAOYSA-N 283.266 2.649 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N)c(O)c1)O2 587388314 AECKUOMXGKMYTR-QGZVFWFLSA-N 298.342 2.746 0 1 CFAF CC(=O)N[C@H]1CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587511692 MXSLDFXVCQQBLS-WMZOPIPTSA-N 299.370 2.568 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)CC1(CC3(CCOCC3)C1)O2 587412304 MSXBTPGGBLPJFP-UHFFFAOYSA-N 287.359 2.872 0 1 CFAF COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O 587400340 QSAXKNZNMSBNIA-OAHLLOKOSA-N 299.326 2.998 0 1 CFAF Sc1nc(-c2ccncc2)nn1Cc1ccccc1 13536818 CQJLQYCVAAQEPN-UHFFFAOYSA-N 268.345 2.677 0 1 CFAF CCCC(=O)Nc1cccc(-c2cc(C(=O)O)no2)c1 13558900 CGVGVKRVKLCQOD-UHFFFAOYSA-N 274.276 2.778 0 1 CFAF COc1ccccc1-c1cc(NC(C)=O)c2nnc(C)n2c1 1857545236 XAUXAJGRWOHDHJ-UHFFFAOYSA-N 296.330 2.672 0 1 CFAF CCn1c(=O)ccc2cnc(Nc3ccc(F)cc3)nc21 13835404 DXMBSYMFSSVIKY-UHFFFAOYSA-N 284.294 2.694 0 1 CFAF O=C(NCCSc1c[nH]c2ccccc12)C1CC1 2601598 CRFDYYKQJZTYJU-UHFFFAOYSA-N 260.362 2.786 0 3 CFAF O=C(NC[C@@H]1CCCO1)c1csc2c1CCCCC2 4119288 CQVZYGIOTLXFAC-NSHDSACASA-N 279.405 2.926 0 3 CFAF COc1ccccc1-n1c(S)nnc1-c1ccccc1O 6533686 KKLIQHRVSZLVDT-UHFFFAOYSA-N 299.355 2.937 0 1 CFAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCF 100704212 RTUGCWJKYIZMNR-XZJROXQQSA-N 263.356 2.886 0 1 CFAF CNC(=O)[C@H](OC)c1cccc(Oc2ccccc2)c1 103198322 XXTBXXOKQBLXIA-OAHLLOKOSA-N 271.316 2.912 0 1 CFAF COC(=O)[C@@H]1C=C[C@H](C)[C@H](CCOc2ccccc2)O1 8682216 SJURJHVQPGUJTI-QEJZJMRPSA-N 276.332 2.588 0 1 CFAF Cc1ccc([S@@](=O)c2ccccc2CN(C)C)c(N)c1 28569727 BXVHYBOSHLZFER-HXUWFJFHSA-N 288.416 2.806 0 1 CFAF c1ccc(C[C@H]2CNCCN2c2cnc3[nH]ccc3c2)cc1 53295150 YXKXFXIRENCHSD-INIZCTEOSA-N 292.386 2.584 0 1 CFAF OCCOCn1c(=S)[nH]c2c(Cl)cc(Cl)cc21 27999820 VMCZZFMOPIUPHP-UHFFFAOYSA-N 293.175 2.972 0 1 CFAF CNCCN1Cc2cccc3c2N(CC3)c2ccccc21 28771010 JDLMZLQFFYMVAX-UHFFFAOYSA-N 279.387 2.920 0 1 CFAF CNC(=O)Oc1cccc2c1SC[C@H]1CCN(C)[C@@H]21 28467631 HDQBOOHWHLECAC-BXKDBHETSA-N 278.377 2.503 0 1 CFAF COc1ccc([C@@H](c2ccccc2)P(=O)(O)O)cc1 26839751 OBVZOSNJEONCQO-CQSZACIVSA-N 278.244 2.962 0 1 CFAF CCCC=CC=C[C@H](CCCC(=O)OC)C(=O)O 2356457483 QPFWOYDHBWPHSS-GFCCVEGCSA-N 254.326 2.943 0 1 CFAF COc1ccc2c(Cl)cc3nc(C(=O)O)cn3c2c1 39281635 RFNBYQPLZKEUEO-UHFFFAOYSA-N 276.679 2.848 0 1 CFAF Cn1c(-c2c(O)c3ccccc3[nH]c2=O)nc2ccccc21 40956779 VUWFDMHOFQDZTG-UHFFFAOYSA-N 291.310 2.787 0 1 CFAF Oc1ccc(-c2nnc(Cn3cnc4ccccc43)o2)cc1 45284782 YUBIXKYXIYRHKN-UHFFFAOYSA-N 292.298 2.840 0 1 CFAF COc1cccc(C(=O)Oc2cncc(Cl)c2)c1 40585145 UIXQHURPUVBNCZ-UHFFFAOYSA-N 263.680 2.963 0 1 CFAF C/C1=C\[C@@H](O)[C@H]2[C@H](C/C(C)=C/CC1)OC(=O)[C@H]2C 238746796 AFDPKUTUPAAEAI-IIYRQSPPSA-N 250.338 2.602 0 1 CFAF CCCSc1c(C(=O)NC2CCCCC2)cnn1C 95580177 JOUFSFRQCQLDRZ-UHFFFAOYSA-N 281.425 2.985 0 1 CFAF Cc1ccnc2[nH]c([C@@]3(N)C[C@H]3c3ccccc3F)nc12 587154666 FVUWKXXEBRSZSD-MEDUHNTESA-N 282.322 2.747 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCCC[C@H](C)O)O2 587403045 DKPIWKKBWAYGNU-NWDGAFQWSA-N 277.364 2.852 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn3ccccc13)O2 587394586 HWXRDLJJUWXCRU-MRXNPFEDSA-N 293.326 2.931 0 1 CFAF CCOCCOCc1nc2ccc(Cl)cc2[nH]1 587778586 OCAPZZUZNOKIEW-UHFFFAOYSA-N 254.717 2.769 0 1 CFAF COc1nccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c12 587090127 LZBVFGAQSDUCGD-MRVPVSSYSA-N 283.612 2.890 0 1 CFAF Oc1nncc2[nH]c(-c3ccc(C4CCC4)cc3)nc12 586880514 LTZLXBGZBLKFQY-UHFFFAOYSA-N 266.304 2.993 0 1 CFAF O=C(O)Cc1cc(CC(=O)O)cc(-c2cccs2)c1 584905618 KZPRFEGRESQBAV-UHFFFAOYSA-N 276.313 2.669 0 1 CFAF in-vitro COc1cnccc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587394862 KSFACQJCGZMVPD-QGZVFWFLSA-N 298.342 2.861 0 1 CFAF COc1cc(C)c(O)n1-c1ccnc(Br)c1 587939593 GVVUQWKFTOTVTG-UHFFFAOYSA-N 283.125 2.657 0 1 CFAF CCOC(=O)c1cc(C(=O)c2coc3ccccc23)nn1C 587280464 GCSOZCUXLQEGOI-UHFFFAOYSA-N 298.298 2.574 0 1 CFAF CN(C)CCCOCC(O)(c1ccccc1)c1ccccc1 169331493 NLTUGPYZDXPNBX-UHFFFAOYSA-N 299.414 2.891 0 1 CFAF Nc1ccc(-c2cc(=O)oc3cc(O)ccc23)cc1 1857634190 HATYMLATGSIWGR-UHFFFAOYSA-N 253.257 2.748 0 1 CFAF CN(Cc1cc(F)cc(F)c1F)C(=O)C1(C)CC1 1772627933 RZDXPHREJSKVBA-UHFFFAOYSA-N 257.255 2.862 0 1 CFAF COc1cccc(-c2nc3ccc(N(C)C)cc3c(=O)[nH]2)c1 13835240 JVPOQXCXDXWEBD-UHFFFAOYSA-N 295.342 2.665 0 1 CFAF C[C@]1(c2cccnc2)CC(=O)c2cc(O)ccc2O1 259695 WQOAATPPOCHGBN-OAHLLOKOSA-N 255.273 2.668 0 1 CFAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNCc1ccc(OC)cc1 2356305758 DBVYPDVCRPZJLK-IXDOHACOSA-N 288.435 2.905 0 1 CFAF CCc1cc2c(O)c(-c3ccon3)c(=N)oc2cc1OC 6498400 XCHXPEYJZPYNRE-UHFFFAOYSA-N 286.287 2.844 0 1 CFAF O=C(CCCCCc1cccnc1)NC1CCC(O)CC1 1911583019 RCKJPGCTMFRKMH-UHFFFAOYSA-N 290.407 2.604 0 1 CFAF CC(C)[C@]1(C)OC(N[C@@H](C)c2ccccc2)=NC1=O 28824011 ULVBIABWEWJWQK-NHYWBVRUSA-N 260.337 2.665 0 1 CFAF CCCCCC[C@@]1(c2ccncc2)CCC(=O)NC1=O 29336495 OMXBJJLSIPHZKY-INIZCTEOSA-N 274.364 2.726 0 1 CFAF CC=C1CN2CC[C@@]34C(=Nc5ccccc53)[C@H](CO)[C@H]1C[C@@H]24 2356649537 PKSXQJQSOYBVHM-FCZZECIWSA-N 294.398 2.673 0 1 CFAF CC1(C)CCC[C@@]2(C)[C@H]1CC=C(C(=O)O)[C@@H]2C(=O)O 27524939 FQTCSKNXOMTTCX-RWSFTLGLSA-N 266.337 2.935 0 1 CFAF CN(C)[C@@H](c1ccc(Cl)cc1)C1COCOC1 39215590 VXEPPUIMWUMTBF-ZDUSSCGKSA-N 255.745 2.563 0 1 CFAF COc1cccc(Oc2nc3ccsc3c3nnnn23)c1 84689646 QRUNZQYMWHTHTI-UHFFFAOYSA-N 299.315 2.535 0 1 CFAF Cc1cc(C[C@H]2COc3ccccc3C2)cnc1N 92062072 YMFKMTFRLJFTSH-CYBMUJFWSA-N 254.333 2.766 0 1 CFAF CC[C@H](C)c1csc(N(C)C(=O)C2=NC(=O)N=N2)n1 618012888 CDIOXKJNOFRXSL-LURJTMIESA-N 279.325 2.604 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C=O)n(C)c1)O2 587389497 IEJRAQWDXMOAPD-QGZVFWFLSA-N 298.342 2.609 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](c1cncnc1)CC2=O 587493091 ZPHXEAVPIUFLQW-OAHLLOKOSA-N 284.315 2.841 0 1 CFAF COC(=O)[C@H](C)C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397830 BSZKWDFAGXZQGH-QLJPJBMISA-N 291.347 2.500 0 1 CFAF Oc1ccc2c(c1)C1(C[C@@H]3CC[C@H](C1)N3CC1CC1)NCC2 963339786 BYEVWMVRYOQLHU-MCPYQZEQSA-N 298.430 2.770 0 1 CFAF COc1ccc(Cc2coc3cc(O)cc(O)c3c2=O)cc1 1772576538 FGGKLBQHCYCINQ-UHFFFAOYSA-N 298.294 2.804 0 1 CFAF Cc1cc(C)cc(NC(=O)COC(=O)[C@@H]2C[C@H]3C=C[C@@H]2C3)c1 169293662 OVHYQYHJQLHVFR-SQWLQELKSA-N 299.370 2.997 0 1 CFAF CC[C@H](C)Nc1nc(C)nc2c1nnn2Cc1ccccc1 201489154 NJERHJVLOODWPH-NSHDSACASA-N 296.378 2.788 0 3 CFAF CC1(C)[C@H]2c3ccccc3[C@@H](c3cccc[n+]32)C12OCCO2 100714783 BVGZKTHMZYKPPK-DLBZAZTESA-N 294.374 2.792 0 1 CFAF Cn1c(=O)c(COc2ccc(F)cc2)nc2ccccc21 27656154 RXTJBQANDSNCPI-UHFFFAOYSA-N 284.290 2.652 0 1 CFAF O=C1c2ccc(O)cc2[C@H]2C[C@H]1c1cc(O)ccc1C2=O 102200449 XVWKIRRDXMJHEC-GASCZTMLSA-N 280.279 2.748 0 1 CFAF O=c1nc(NCc2ccccc2)sn1Cc1ccccc1 29124442 AIYGFUWNGMGUCQ-UHFFFAOYSA-N 297.383 2.965 0 1 CFAF CC1(C)CCC[C@H]2[C@H](CC(=O)O)C(CO)=CC[C@@H]21 69482193 BQGCOWVVISEYKL-XQQFMLRXSA-N 252.354 2.842 0 1 CFAF biogenic,in-vitro COc1ccc(-c2cccnc2)cc1NC(=O)CC(C)=O 26480088 BZCKGFXBCSKRPB-UHFFFAOYSA-N 284.315 2.675 0 1 CFAF CCC(CC)n1cc2c(ccc3nc(N)nc(N)c32)n1 45229047 SJDXOFQUYZXBEP-UHFFFAOYSA-N 270.340 2.505 0 1 CFAF CC(C)N1C(=O)C=C(Cl)[C@]1(O)c1ccc(Cl)cc1 224824826 OCQGGNQKFOPQMU-CYBMUJFWSA-N 286.158 2.858 0 1 CFAF CNCC[C@@H]1CC[C@H](CCc2cc(F)ccc2OC)O1 40901538 NTTIJAHCUAQKMW-GJZGRUSLSA-N 281.371 2.924 0 1 CFAF in-vitro COC(=O)/C(C)=C/[C@H](C)C[C@H](C)C[C@@](C)(O)C[C@H](C)O 238753457 IQQFJADQXWBZGX-CTCADNHTSA-N 286.412 2.680 0 1 CFAF CC(=O)C[C@@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2C1=O 147632175 RALRFBOAOMIENT-WFASDCNBSA-N 298.294 2.760 0 1 CFAF CCOCc1ccc(-c2nc3nc(OC)ccc3[nH]2)o1 586903655 SGWQICCLJAOAPQ-UHFFFAOYSA-N 273.292 2.763 0 1 CFAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cnccc3[nH]2)cc1 587935201 HCSXHBRUDCDGMA-BMIGLBTASA-N 283.331 2.804 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cn1nccc1C)O2 587392412 TZJSNXZOOOWQHT-MRXNPFEDSA-N 285.347 2.506 0 1 CFAF COc1cc2nc(-c3nc(Cl)cnc3N)[nH]c2cc1C 587088534 YZGAKEHGGZSKPY-UHFFFAOYSA-N 289.726 2.573 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](C)Cc1ccnn1C)O2 587391403 MJNQPEDODHTUEE-BZNIZROVSA-N 299.374 2.523 0 1 CFAF C[C@@H](c1nc2cccc(O)c2[nH]1)n1cc(Cl)cn1 587082464 PXTVCKJMHVNNQB-ZETCQYMHSA-N 262.700 2.728 0 1 CFAF CCc1cc(NCc2ccc(OC)cc2)c(=O)[nH]c1C 5887223 IIUVSSRPGPVVKL-UHFFFAOYSA-N 272.348 2.866 0 1 CFAF Cc1ccc2n1Cc1ccccc1C=C2N1CCN(C)CC1 13611457 KCHOGJMXHYZZSG-UHFFFAOYSA-N 293.414 2.904 0 1 CFAF C[C@@H](C(=O)O)c1cccc(S(=O)(=O)c2ccccc2)c1 28711102 HUNADMCPMDEGGM-LLVKDONJSA-N 290.340 2.708 0 1 CFAF Cc1[nH]nc(O)c1CSc1nc2ccccc2[nH]1 27715359 GZFIIEHKSHWDCI-UHFFFAOYSA-N 260.322 2.592 0 1 CFAF O=C1C=C(C(F)(F)F)[C@@H]2C=CC(NC3CCCC3)=C[C@@H]2N1 101438427 CCKPVDRMFZJORS-AAEUAGOBSA-N 298.308 2.576 0 1 CFAF C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@]1(c2ccccc2)C[C@@H]1CN 26964307 LLMMBFHXEMHNDE-GZOSKZMVSA-N 286.419 2.693 0 1 CFAF COc1cc2cccc(C(=O)Cn3ccnc3)c2cc1OC 27853458 WXULYIZACQERHJ-UHFFFAOYSA-N 296.326 2.936 0 1 CFAF Nc1n[nH]c(N2CCCC2)c1-c1nc2ccccc2s1 114398395 UQCGAISLUXLXMC-UHFFFAOYSA-N 285.376 2.869 0 1 CFAF C[S@@](=O)c1ccc(NC(=S)c2ccccn2)cc1 27078166 XEPGLSILFHDVGR-SFHVURJKSA-N 276.386 2.607 0 1 CFAF CC(C)=CCC(=O)[C@@H](C)CCC[C@]1(C)CO[C@@H](CO)CO1 27441281 UTFITFNGJUFYBJ-YQQAZPJKSA-N 298.423 2.885 0 1 CFAF CO[C@@H]1C=CCCC(C)=CCC(C)=CC(=O)O[C@H](CO)C1 2356550226 QFQKOFIKPPGGPV-CVEARBPZSA-N 294.391 2.928 0 1 CFAF CCOC(=O)[C@]1(C)CCCN(C(=O)c2ccccc2F)C1 61903164 AAJLLMKUTRVSRE-MRXNPFEDSA-N 293.338 2.631 0 3 CFAF Cc1n[nH]c(C)c1CC(=O)NCc1cc(F)ccc1Cl 84690921 WUPMBFQJRDOFEY-UHFFFAOYSA-N 295.745 2.678 0 1 CFAF COc1ccc(/C=C\CCOC(C)=O)cc1OC 95910748 LTWAPTPDRUNVGD-XQRVVYSFSA-N 250.294 2.670 0 1 CFAF biogenic,in-vitro CC1(C)CCn2nc(COc3ccccc3)cc2[C@H]1O 299837192 JMNBTPRXPPRKRR-OAHLLOKOSA-N 272.348 2.925 0 1 CFAF O=C1N[C@H](c2ccc3c(c2)OCO3)[C@H]1c1ccc(F)cc1 653736193 YGHSRIDIJVHONY-HUUCEWRRSA-N 285.274 2.509 0 1 CFAF Cc1c(Br)cnc2[nH]c([C@@](C)(O)C(C)C)nc12 586886643 GILOJSXZGVHZHF-LBPRGKRZSA-N 298.184 2.892 0 1 CFAF CC(C)(Cc1ccc2c(O)nc(O)nc2n1)c1ccccc1 587562126 YRWWHBOPRJRUNE-UHFFFAOYSA-N 295.342 2.956 0 1 CFAF COC(=O)c1cc2nc(/C=C/c3ccsc3)[nH]c2cn1 587025340 IFGQPPSYEHLXGK-NSCUHMNNSA-N 285.328 2.976 0 1 CFAF CCCCC[C@@H](C(C)=O)c1ccc2c(O)nc(O)nc2n1 587561933 WUIHNJVNYQYDSS-JTQLQIEISA-N 289.335 2.689 0 1 CFAF CC[C@H](C)[C@H]1CCc2nc3nc(O)nc(O)c3cc21 587561227 FWQFTEOHVNNXOQ-JGVFFNPUSA-N 259.309 2.512 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1c(C)noc1C)[C@@H](C2)C3=O 587436796 UAAYIYYCRKXWHX-ZBEGNZNMSA-N 285.299 2.789 0 1 CFAF C1=C(c2nc3ccc(CN4CCOCC4)cc3[nH]2)CCC1 586885087 UQHHDTOFCXKPCF-UHFFFAOYSA-N 283.375 2.962 0 1 CFAF Cc1cc2nc(-c3nnn(C)c3C(F)F)[nH]c2cc1F 587127848 AQXODYFOLKLCNV-UHFFFAOYSA-N 281.241 2.744 0 1 CFAF COc1ccc2c(c1)[C@H](c1cnc(C)n1C)N[C@H]1CC[C@H]21 962998935 XCTODPUSCJZVEB-UKPHBRMFSA-N 283.375 2.676 0 1 CFAF O=C(c1ccc(F)c(F)c1)[C@@H]1NCCc2ccc(O)cc21 963354663 XURWHVWIUIUOHT-OAHLLOKOSA-N 289.281 2.740 0 1 CFAF Cc1cnc([C@@H]2NCCc3c2sc(C)c3C)cn1 963014039 STFPFPBNNSDIMT-ZDUSSCGKSA-N 259.378 2.698 0 1 CFAF COC(=O)[C@]1(CC(C)C)NCCc2ccc(F)c(C)c21 962092851 NQRZBEKWOFHFHT-MRXNPFEDSA-N 279.355 2.694 0 1 CFAF CC(=O)c1c(O)cc(C)o/c1=N\c1cccc(F)c1 99984 DILSTTQFHYGGIS-PEZBUJJGSA-N 261.252 2.868 0 1 CFAF O=C(O)c1ccnc(-n2nccc2OCc2ccccc2)c1 146769788 FPJJSKKWGRACAX-UHFFFAOYSA-N 295.298 2.545 0 1 CFAF O=c1cc(-c2cccs2)[nH]c2cc3c(cc12)OCO3 5581238 NMFTWAYYGHNSDJ-UHFFFAOYSA-N 271.297 2.985 0 1 CFAF Cc1cc2nc(N3CCN(C)CC3)c3cccn3c2cc1C 13801471 PDUDWIOTBSSIQQ-UHFFFAOYSA-N 294.402 2.856 0 1 CFAF COc1ccc(C(=O)CN2C=CC=C/C2=C\N=O)cc1 15973693 LBUOCBPLYTYWEN-JLHYYAGUSA-N 270.288 2.871 0 3 CFAF O=c1oc2ccc(Cl)cc2n1CCc1ccccn1 16047 SKGKJGUVAJMXEU-UHFFFAOYSA-N 274.707 2.886 0 1 CFAF O=c1[nH]c2ccccc2nc1Cc1ccc(F)cc1 104671 ZKCZOUPRCJMLCD-UHFFFAOYSA-N 254.264 2.653 0 1 CFAF O=c1c2ccccc2nc2n1-c1ccccc1SC2 1628908 BEKWDOZRQNHBNX-UHFFFAOYSA-N 266.325 2.991 0 1 CFAF Cc1cc(N2C(=O)[C@H]3CCCN3[C@@H]2c2cccs2)no1 4121235 ASOCAEHGWMUEFW-MFKMUULPSA-N 289.360 2.554 0 1 CFAF C1=C[C@@H]2C[C@@H]3N(CC[C@@]34CNc3ccccc34)C[C@@H]2CO1 2356347949 SSEMHSZOXZYLBH-KNCCTNLNSA-N 282.387 2.604 0 1 CFAF Cc1cc([C@H](c2ccccc2)N2CCN(C)CC2)sn1 28244336 CZJZTCYIQXDFDQ-INIZCTEOSA-N 287.432 2.788 0 1 CFAF CCOc1cc(NC2(CCCN)CC2)c2ncccc2n1 28826046 CJZGQSYESCZGPC-UHFFFAOYSA-N 286.379 2.712 0 1 CFAF Cc1c(C2CCCC2)c(=O)on1C(=O)N1CCCCC1 26934920 VKRWBZVDKHZBNR-UHFFFAOYSA-N 278.352 2.861 0 1 CFAF COC1=CC=C[C@H]2Cc3cccc(OC)c3C(=O)[C@H]12 2356581446 WHATXAFZRPBQQC-HZMBPMFUSA-N 256.301 2.767 0 1 CFAF CN1C=CN(COCC2CCCCC2)/C1=C/N=O 136386404 TZWZRRWSJYZVDA-UKTHLTGXSA-N 251.330 2.825 0 1 CFAF CC1=CC2=NC(=S)NC(=O)[C@@H]2[C@@H](c2ccccc2)C1 45286119 ODEPXFGQOIVDAS-DGCLKSJQSA-N 270.357 2.592 0 1 CFAF C[C@@H](CN1[C@H](O)C12CCCCC2)c1ccc(C=O)cc1 85547902 LRYPDVQOINLYPR-NHSXVPOTSA-N 273.376 2.940 0 1 CFAF biogenic,in-vitro c1ccc(-c2nnc3ccc(-n4cccc4)nn23)cc1 82060484 MIAZALWRRXPFIX-UHFFFAOYSA-N 261.288 2.582 0 1 CFAF CCc1ccc(-c2ccc3c(O)nc(O)nc3n2)s1 587563965 MHMQIXFQPGUYNU-UHFFFAOYSA-N 273.317 2.727 0 1 CFAF COc1cc2nc(/C=C/c3ccc(N)cc3)[nH]c2cn1 587252470 WPUSBKACEYOWMT-QPJJXVBHSA-N 266.304 2.719 0 1 CFAF NC(=O)c1ccc2nc(-c3cc4cc(N)ccc4o3)[nH]c2c1 587252969 VSWQMIJBCSOUGQ-UHFFFAOYSA-N 292.298 2.657 0 1 CFAF Nc1ncccc1Cc1nc2cc(F)c(F)c(F)c2[nH]1 587253400 GRCLQZWZYAVIEE-UHFFFAOYSA-N 278.237 2.548 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1ccnc(F)c1)[C@@H](C2)C3=O 587428036 MTJIBJYFPCSSHW-YVEFUNNKSA-N 299.301 2.892 0 1 CFAF COc1ccncc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587394199 DKVQQXYONYBSCO-OAHLLOKOSA-N 284.315 2.687 0 1 CFAF COC(C)(C)C[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587402224 VZWXHHHOZNUKEN-JTQLQIEISA-N 263.337 2.726 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(C(=O)CC(C)C)[C@@H](C2)C3=O 587442072 JTBVXBBZGLKOJX-SJCJKPOMSA-N 288.343 2.817 0 1 CFAF C#CC[C@@](C)(CN)c1cccc(-c2ccnc3[nH]ncc23)c1 167014863 JRQBOITVURSPGA-SFHVURJKSA-N 290.370 2.865 0 1 CFAF OCC[n+]1ccc(/C=C/c2c[nH]c3ccccc23)cc1 179512 XDJPKYJEMFSTSV-UHFFFAOYSA-O 265.336 2.618 0 3 CFAF COc1cc(O)c2c(c1)O[C@@H]1c3ccc(O)cc3OC[C@H]21 5998928 RUSDVGLVSNJFOG-BDJLRTHQSA-N 286.283 2.716 0 1 CFAF NC1=NC[C@H](Cc2ccccc2)N1CC1CCCCC1 12727009 SMPVQQRRGRTZKW-INIZCTEOSA-N 271.408 2.808 0 3 CFAF CCCCCNC1=NCCN1CCc1ccccc1 13539118 ADVKDZIXVYBXQX-UHFFFAOYSA-N 259.397 2.681 0 1 CFAF O=C(O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2OCC[C@H]21 15952393 IDLFKXPQOUGXNN-XROYCOCOSA-N 287.237 2.662 0 3 CFAF N[C@H](c1ccccc1)[P@@](=O)(O)[C@@H](O)c1ccccc1 169331519 VWAWWJPAKWNSCV-UONOGXRCSA-N 277.260 2.605 0 1 CFAF CCCCc1ccc2occ(/C=C/c3nnn[nH]3)c(=O)c2c1 169347157 KTWGPFONYHCTBS-SOFGYWHQSA-N 296.330 2.819 0 1 CFAF O=C1Nc2ccc(OCCc3ccc(F)cc3)cc2C1=O 1857598332 HLNQCKYPVCWDIS-UHFFFAOYSA-N 285.274 2.582 0 1 CFAF C[C@]12C=CC=C3CO[C@@H](c4c(O)ccc(O)c4C1)[C@H]32 2356406251 RINQNJVHAUPFKC-JYJNAYRXSA-N 256.301 2.844 0 1 CFAF COC(=O)C1=C(O)/C(=C\c2sccc2C)N=C1C 101641339 OAXVSHJTBHVPSQ-RMKNXTFCSA-N 263.318 2.857 0 1 CFAF Cc1ccc(O[C@@H](C)[C@@H](O)CNC(C)(C)C)cc1C 28227897 CLPPOWPFUZBPDZ-ZFWWWQNUSA-N 265.397 2.820 0 1 CFAF Cc1coc2c1[C@@H]1OC(=O)C3=CCC[C@@H](C2=O)[C@]31C 2356449507 PJONERLFBPPJEL-MIUALZABSA-N 258.273 2.725 0 1 CFAF c1ccc(COC[C@@H](c2ccccc2)N2CCNCC2)cc1 22926705 HEXJFCRUKRBWPM-IBGZPJMESA-N 296.414 2.850 0 1 CFAF c1ccc(C[C@H]2[C@H]3CC[C@H](C3)[C@H]2NC2=NCCO2)cc1 29416643 NUMRIDYCRYHYHT-XUWVNRHRSA-N 270.376 2.620 0 1 CFAF CC(C)[C@@H]1SC(Nc2ccc3[nH]ncc3c2)=NC1=O 28826752 ADIGBQPNAAISHL-NSHDSACASA-N 274.349 2.629 0 1 CFAF Oc1ccc2c3c1Oc1cc4c(cc1C[C@@H]3NCC2)OCO4 31502296 WJZBDQBNIOXTFC-NSHDSACASA-N 297.310 2.656 0 1 CFAF Cc1nc(C(=O)NC2CC2)cc(-c2ccccc2F)c1CN 66113625 YDWISPCYYGCIHW-UHFFFAOYSA-N 299.349 2.547 0 1 CFAF O[C@](c1ccc(Cl)cc1)(c1cccnc1)c1cncnc1 72185296 KQRRAQBITKWGBZ-MRXNPFEDSA-N 297.745 2.809 0 1 CFAF CCOc1ccc(Nc2nc(C[C@H](C)O)ns2)cc1 82052422 DIEJCAGSCUPUSC-VIFPVBQESA-N 279.365 2.604 0 1 CFAF O=C(O)C1CN(Cc2ccc(CCc3ccccc3)cc2)C1 142964610 DWHWJBOQZGWGJN-UHFFFAOYSA-N 295.382 2.988 0 1 CFAF CC(=O)NCC[C@H]1CCc2ccc3nc(C)oc3c21 96174396 CCRUCMHMQXUZAT-GFCCVEGCSA-N 258.321 2.692 0 1 CFAF Nc1c(-c2ccc(Cl)cc2)n(O)c2ccccc2[n+]1=O 368131121 BCHDKBKFACLNEZ-UHFFFAOYSA-N 288.714 2.696 0 1 CFAF COc1cc2c3c(c1)O[C@H](CC[C@@H]1CCCO1)[C@@H](C2)C3=O 587455833 QLVXYQPHUVQGMF-IACUBPJLSA-N 288.343 2.770 0 1 CFAF Cc1cc(Br)c2[nH]c(CC3CC(N)C3)nc2c1 587255781 WMHMZFQAWKIMCK-UHFFFAOYSA-N 294.196 2.914 0 1 CFAF Cc1c(Cl)ccc2nc(C3(O)CCOCC3)[nH]c12 586914264 YPNUKNSHSYJMFC-UHFFFAOYSA-N 266.728 2.523 0 1 CFAF Cc1c(-c2cnn(C)c2)[nH]c2c(C(=O)O)cccc12 587638261 DRQVDFRDXXCAAL-UHFFFAOYSA-N 255.277 2.575 0 1 CFAF Cc1ccc2nc(-c3cc(=N)[nH]c4ccccc34)[nH]c2n1 587254442 UAXXGSZLBLYLNK-UHFFFAOYSA-N 275.315 2.894 0 1 CFAF CC/C(=C\c1nc2c[nH]c(=N)[nH]c-2n1)c1ccc(C)cc1 587968898 WEKISEUGZGSINL-DHZHZOJOSA-N 279.347 2.976 0 1 CFAF C[C@@H](Oc1ccc(F)cc1)c1nc2ncc[nH]c-2n1 587168337 GCKIBHWZMHWOAG-MRVPVSSYSA-N 258.256 2.584 0 1 CFAF CCc1ccc(-c2nc3c(O)ncnc3[nH]2)cc1CC 586879759 QPJSQZBPXAQFID-UHFFFAOYSA-N 268.320 2.850 0 1 CFAF COc1cccc2nc(-c3cc(N)c(N)cc3F)[nH]c12 587137376 XHGDVYZLSWWLBK-UHFFFAOYSA-N 272.283 2.542 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C=O)o1)O2 587415233 YWMUOHIDLCIXQL-CQSZACIVSA-N 271.272 2.689 0 1 CFAF ClC1=CC=CC=C[C@]12NCCc1nc3ccccn3c12 962985707 RAVQPTPXGITFMX-INIZCTEOSA-N 283.762 2.924 0 1 CFAF CCc1ncc([C@@H]2NCCc3nc4ccccn4c32)s1 962985490 PDFVMLIIVFNHGY-AWEZNQCLSA-N 284.388 2.588 0 1 CFAF O[C@H](C[C@@H]1c2ccccc2-c2cncn21)c1ccncc1 203791337 RLYSBDKKQFJXQY-NVXWUHKLSA-N 277.327 2.972 0 1 CFAF Nc1noc2ccc(-c3cnc4ccc(Cl)nn34)cc12 1772619263 KECKFSXSXSDXTK-UHFFFAOYSA-N 285.694 2.773 0 1 CFAF CN(C)CCSc1nc(-c2ccncc2)cs1 5848683 VQVFEOWWKRLYCL-UHFFFAOYSA-N 265.407 2.859 0 1 CFAF CCCN1Cc2ccccc2[C@@H]2Cc3n[nH]cc3C[C@H]21 13556867 PMVIBFCQKIIGBR-DOTOQJQBSA-N 267.376 2.886 0 1 CFAF CCCN(CCC)[C@H]1CCn2c(ccc2CN(C)C)C1 13642190 ZJULUTHVMWQMLJ-HNNXBMFYSA-N 277.456 2.987 0 1 CFAF CN(O)CCc1ccc2c(c1)C(=O)c1ccccc1CO2 13745482 IRMUYQYPOXNJGA-UHFFFAOYSA-N 283.327 2.674 0 1 CFAF C[C@]12C=CC(=O)N[C@@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 169325054 DOFRSNSWULWZJS-NRUKSGFLSA-N 289.419 2.645 0 1 CFAF CCC[C@H]1C(C(=O)OCC)=C(C)N=C(C)[C@@H]1C(=O)OC 169714769 ZRKHGRYEMRYQCJ-NEPJUHHUSA-N 281.352 2.504 0 1 CFAF CN(c1c2c(nc3ncnn13)CCCC2)C1CCCCC1 201446045 HXFAKPIQDUFUIH-UHFFFAOYSA-N 285.395 2.772 0 3 CFAF Cc1c(O)cc2c3c1C[C@@H]1[C@@H]4C[C@@H](C)[C@@](CC2)(C(=O)O4)[C@H]31 1857630955 PWZJGBKROLXBPW-GGOQXPHXSA-N 284.355 2.854 0 1 CFAF COc1ccc(CCc2ccc3c(c2)OCO3)cc1O 1016260 UJPKXJUVYZMHKT-UHFFFAOYSA-N 272.300 2.915 0 1 CFAF COc1[nH]c(C)nc2c(CN3CCCCC3)c(C)nc1-2 4175244 SIGCSNLHDUCTAT-UHFFFAOYSA-N 274.368 2.521 0 1 CFAF CC(C)(C)c1cc(SCC(=O)O)nc(C2CC2)n1 100900653 UMBCJICIYMSBTI-UHFFFAOYSA-N 266.366 2.828 0 1 CFAF CCCCC1=C[C@@H](C2=NO[C@@H](C(=O)OC)C2)C(Cl)=N1 101652611 JCCXEJUXJXMMCI-GXSJLCMTSA-N 284.743 2.646 0 1 CFAF O[C@@H]1CCCN(c2[nH]ccc3c4ccccc4nc2-3)C1 101017851 RAIPGQNUJQXFRA-LLVKDONJSA-N 267.332 2.629 0 1 CFAF CCCCCN1C(=O)CCc2cc(-n3cnnc3)ccc21 103244168 GVHGVAIREOSHPO-UHFFFAOYSA-N 284.363 2.737 0 1 CFAF Cc1ccccc1[C@H](c1c(C)noc1C)N1CCNCC1 28248008 UPAWVSFBLDGJLX-QGZVFWFLSA-N 285.391 2.594 0 1 CFAF Cc1cccc(CNc2ccc3nc(N)nc(N)c3c2)c1 28007419 PHOOCTYKNRQQDX-UHFFFAOYSA-N 279.347 2.715 0 1 CFAF COC[C@@]12Cc3ccc(O)cc3[C@@](C)(CC[C@@H]1N(C)C)C2 26144656 LMPYGANIBIHENG-BZSNNMDCSA-N 289.419 2.953 0 1 CFAF c1c2c(cc3c1OCO3)[C@@H]1CCC[C@@H]3CCN(C2)[C@@H]13 900979 UPCSAMZZCYKRAB-RSAASHCRSA-N 257.333 2.887 0 1 CFAF biogenic CNC(=O)OCC[C@H](C)N(C)CCCc1ccccc1 473089702 SOYHHVDLCFHOGD-AWEZNQCLSA-N 278.396 2.686 0 1 CFAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccnc(O)c3[nH]2)cc1 586887121 HIPWXRGULOPJPU-QMTHXVAHSA-N 283.331 2.809 0 1 CFAF O=C(c1c(CO)oc2cc(Br)cnc12)C1CC1 587275936 HIKNVYPSSZNVRS-UHFFFAOYSA-N 296.120 2.675 0 1 CFAF COC(=O)c1c(-c2ccncc2)[nH]c2c(C(=O)O)cccc12 587638942 KGBHVKOTCUKXEF-UHFFFAOYSA-N 296.282 2.715 0 1 CFAF Cc1cc(C)c2[nH]c([C@H]3CC(=O)OC3(C)C)nc2c1 586911294 RFZAZJLLHWSRJZ-SNVBAGLBSA-N 258.321 2.989 0 1 CFAF Cc1cnn(CC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587876729 XJOKOKMTQRHYLP-UHFFFAOYSA-N 298.277 2.640 0 1 CFAF CC[C@H](Oc1ccccc1F)c1nc2ncc[nH]c-2n1 587155587 MNYINETYUXEZSK-JTQLQIEISA-N 272.283 2.974 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccc(N(C)C)o1)[C@@H](C2)C3=O 587426863 BQRKJFGDBRAVNU-APPDUMDISA-N 299.326 2.843 0 1 CFAF Fc1c(F)c(F)c2[nH]c([C@H]3CCOC3)nc2c1F 586912412 ROXFVDABGLIVFL-BYPYZUCNSA-N 260.190 2.623 0 1 CFAF CCc1cc2c(O)nc(O)nc2nc1-c1ccccc1 587562054 XLIIXLXPZWHPSW-UHFFFAOYSA-N 267.288 2.665 0 1 CFAF N=c1cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c[nH]1 587153013 UUTQTPKMPOJRGH-IUCAKERBSA-N 286.285 2.920 0 1 CFAF Fc1cc(CCc2nc3cnncc3[nH]2)cc(F)c1F 587138310 GUCTZUKFOINZAI-UHFFFAOYSA-N 278.237 2.555 0 1 CFAF Nc1cc2nc(/C=C/c3ccsc3)[nH]c2cc1N 587025395 JUCPJORPZMPOPN-OWOJBTEDSA-N 256.334 2.959 0 1 CFAF C[C@]1(c2c[nH]c(=N)o2)CC(=O)c2ccc3c(c2O1)CCCC3 587511499 QLFZELLNEPWZAS-QGZVFWFLSA-N 298.342 2.847 0 1 CFAF Cn1nc(-c2nc3cc(Cl)c(F)cc3[nH]2)c(F)c1O 587155580 MNIQYXYBWZWTNV-UHFFFAOYSA-N 284.653 2.601 0 1 CFAF CCCOc1ccc(C2=NCCN2)c2ccccc12 169322344 FSZVMUJAVXJKKJ-UHFFFAOYSA-N 254.333 2.978 0 1 CFAF S=C1Sc2c(Cl)cccc2C2=NCCN12 1857568346 CBFKYLOJWRAAHT-UHFFFAOYSA-N 254.767 2.793 0 1 CFAF Cc1ccc2c(c1)-n1c(=O)ccc(=O)n-2c2cc(C)ccc21 1772596932 UZIXOQDBFHHCEC-UHFFFAOYSA-N 290.322 2.634 0 1 CFAF CCCCCc1nsnc1C1=CCCN(C)C1 13456717 JQGRLTLTFQOOCL-UHFFFAOYSA-N 251.399 2.990 0 1 CFAF CC[C@@H](C)C(=O)c1c(O)c(C)c(OC)c(C)c1O 14593806 BHSDENIHTXKOKS-SSDOTTSWSA-N 252.310 2.952 0 1 CFAF CC(=O)N[C@H](c1ccccc1)c1ccc(OC(C)=O)cc1 209406806 JWAHINDJAZEICB-QGZVFWFLSA-N 283.327 2.837 0 1 CFAF COc1ccc2c(OC[C@H](O)CNC(C)C)cccc2c1 28136048 NYMXVBIZRYJLOY-CQSZACIVSA-N 289.375 2.586 0 1 CFAF F[C@H]1CN(CC2CC2)C[C@H]1OCc1nc2ccccc2[nH]1 2356300389 VGMHICYSTATLAY-SWLSCSKDSA-N 289.354 2.512 0 1 CFAF O[C@H]1c2cnccc2C[C@H]2c3[nH]c4ccccc4c3CCN12 2356402432 GYDDEXWBTPFKBJ-WMZOPIPTSA-N 291.354 2.709 0 1 CFAF CC(C)(Oc1ccc(-n2nc3ccccc3n2)cc1)C(=O)O 36519523 WCUNSFSFETWXRR-UHFFFAOYSA-N 297.314 2.663 0 1 CFAF CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2C2CCC2)no1 147447654 LNGDHKZCHIFFKZ-LBPRGKRZSA-N 291.395 2.928 0 1 CFAF COc1cc2c(O)c(O)c(=O)oc2cc1OCC=C(C)C 238756964 CIYCRWXVDIOYTL-UHFFFAOYSA-N 292.287 2.558 0 1 CFAF COc1ccccc1CN1CC[C@H](c2nccc(C)n2)C1 299850947 PUVHNQKSNYVJIJ-HNNXBMFYSA-N 283.375 2.783 0 1 CFAF CC(C)(C)N1C(=O)C=C(Cl)[C@]1(O)c1ccccc1 653876704 RUQXJZGRIUTVEP-CQSZACIVSA-N 265.740 2.595 0 1 CFAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H](O)C3 587206318 HSSYPSXDZTWFAT-JTQLQIEISA-N 287.318 2.906 0 1 CFAF Nc1ncccc1Cc1nc2ccc3ncccc3c2[nH]1 587254786 ZMPGTZPGWCSHHG-UHFFFAOYSA-N 275.315 2.679 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H](C)N)O2 587388325 AIQAJMODJXRSBU-SGTLLEGYSA-N 296.370 2.785 0 1 CFAF Cc1nc(C2CC2)sc1-c1nc2cnncc2[nH]1 587012826 VHJOJIMIPIYKDT-UHFFFAOYSA-N 257.322 2.662 0 1 CFAF CC[C@@]1(c2cn[nH]c2)CC(=O)c2cc(C)cc(N)c2O1 587396357 JQKBJADGVSKTLQ-HNNXBMFYSA-N 271.320 2.571 0 1 CFAF CC(=O)OCC[C@]1(C)NCCc2cc(Cl)ccc21 963390833 NIOBHJSERFBQMD-AWEZNQCLSA-N 267.756 2.654 0 1 CFAF COc1ccccc1-c1nc2cc(=N)[nH]cc2s1 1857540440 GHLWRXIUKBADKW-UHFFFAOYSA-N 257.318 2.779 0 1 CFAF CC[C@H](CO)NCCCCOc1c(C)cccc1C 1857657022 UGWSLPIMSDARHJ-OAHLLOKOSA-N 265.397 2.823 0 1 CFAF COC(=O)[C@@H]1c2c(C)c(O)c(C)c(C)c2OC1(C)C 13651866 ZXIFGJGMFDUJHJ-NSHDSACASA-N 264.321 2.745 0 1 CFAF COc1cc(CCc2ccccc2)c(OC)cc1CCN 13809595 YIMMOGDNQSRZTF-UHFFFAOYSA-N 285.387 2.990 0 1 CFAF CC1=C[C@@H]2CC3=CC(=O)N(CC(=O)O)[C@H]3C(C)(C)[C@@H]2CC1 14684259 VYQPVVNDUJVMSE-AXAPSJFSSA-N 289.375 2.611 0 1 CFAF C(#Cc1[nH]nc2ccc(-c3ncn[nH]3)cc12)c1ccccc1 164758735 XENOUHWELYDOAV-UHFFFAOYSA-N 285.310 2.748 0 1 CFAF COc1cc2c3c(cc(O)c2cc1C)C(C)(C)[C@@H](O)C3=O 205753604 DAHDDGQGIXQYJJ-INIZCTEOSA-N 286.327 2.697 0 1 CFAF CCN(CC)C(=O)NCCn1ccc(-c2ccccc2)n1 1857551354 VLWDHXVVNRDUMO-UHFFFAOYSA-N 286.379 2.602 0 1 CFAF COc1cc(C)nc(NC(=O)Nc2ccc(F)cc2)n1 759022 PVVPRNBAQDVUJB-UHFFFAOYSA-N 276.271 2.577 0 1 CFAF O=C1C=C(C(F)(F)F)[C@@H]2C=C(NC3CCCC3)C=C[C@@H]2N1 102225819 FTTRLUXCDGCNQV-AAEUAGOBSA-N 298.308 2.576 0 1 CFAF COc1cc2c(c(O)c1C)C(=O)Nc1ccc(O)cc1O2 28703480 BHOCVXBMKIDETM-UHFFFAOYSA-N 287.271 2.773 0 1 CFAF O=c1[nH]c2cc3nc(-c4ccncc4)[nH]c3cc2s1 29312202 HCHLXWACUFFRQD-UHFFFAOYSA-N 268.301 2.528 0 1 CFAF O=C(c1ccccc1)c1ccc2n1CCC[C@H]2C(=O)O 25997522 KHPFLDXJWMCCNR-GFCCVEGCSA-N 269.300 2.681 0 1 CFAF O=c1[nH]c2cc(Cn3cccc3)ccc2c2c1CCCN2 118734494 ZYWNWPNRSHBHFP-UHFFFAOYSA-N 279.343 2.736 0 1 CFAF C[C@@H](O)CCCC=Cc1cc2cc(O)cc(O)c2c(=O)o1 2356598229 JKXJOEQOMGTCDI-SNVBAGLBSA-N 290.315 2.769 0 1 CFAF COc1ccc(NNc2cc(C)oc(=O)c2C(C)=O)cc1 73280500 NPDJYMGPSVWWGA-UHFFFAOYSA-N 288.303 2.598 0 1 CFAF Cc1cc2c(c(S)n1)C(=O)O/C2=C\c1cccn1C 40423904 QDPJYQDDCHOLHI-XFFZJAGNSA-N 272.329 2.686 0 1 CFAF N=C(N)c1ccc(-c2cc3ccc(C(=N)N)cc3o2)cc1 40980892 PHTLKFWIIFQMQY-UHFFFAOYSA-N 278.315 2.668 0 1 CFAF CC(=O)c1ccc(-c2nnn(-c3cccnc3)c2C)cc1 45253481 PNXOPQMGMKWEHK-UHFFFAOYSA-N 278.315 2.840 0 1 CFAF COc1cc(O)c(C(=O)CC(C)C)c(OC)c1C 238734129 YDKDQELYSLHVMT-UHFFFAOYSA-N 252.310 2.947 0 1 CFAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CC2)n1 142055295 HOMZIEYVBDLNSW-CMPLNLGQSA-N 290.367 2.668 0 1 CFAF CC(=O)c1ccc2nc(CCOCC3CC3)[nH]c2c1 587783062 FIVFPSBUERPHIY-UHFFFAOYSA-N 258.321 2.735 0 1 CFAF CCCn1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587392961 YHAZAIOJPLPZNC-HNNXBMFYSA-N 285.347 2.890 0 1 CFAF Clc1cc2nc(Cc3csc4nccn34)[nH]c2cn1 587040481 OQMWXRIXHOYION-UHFFFAOYSA-N 289.751 2.911 0 1 CFAF CCCCCc1cc2cc(OC)cc(O)c2c(=O)[nH]1 14688945 BRJKVEZOBBRQDJ-UHFFFAOYSA-N 261.321 2.975 0 1 CFAF COc1c2c(cc3ccccc13)CC[C@H](NC(C)=O)C2 13757218 WQUXCHXXRHWCMU-AWEZNQCLSA-N 269.344 2.842 0 1 CFAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc2ccccc2n1 316007 GUYCQLRBHUURQF-CRJCFHLZSA-N 290.322 2.546 0 1 CFAF CN(C)c1ncnc2sc(Nc3ccccc3)nc12 103287375 FWAWUUVYNDMIAO-UHFFFAOYSA-N 271.349 2.896 0 1 CFAF C/C1=C/CC(=O)[C@@H](C)C[C@@H]2OC(=O)[C@H](C)[C@H]2CC1 100780334 KLZWSNKEPLKAOS-ZXIRBIJFSA-N 250.338 2.890 0 1 CFAF endogenous,in-man O[C@@H]1c2ccc(Cl)cc2S[C@H]1Cn1ccnc1 27406176 DABDTARKKXUQAO-NWDGAFQWSA-N 266.753 2.744 0 1 CFAF CC(=O)Nc1ccccc1/C=C1\SC(=S)N=C1O 26276590 DAPNYTPCCKJKIQ-POHAHGRESA-N 278.358 2.974 0 1 CFAF c1ccc(NCCCNC[C@H]2CCc3ccccc3O2)nc1 26579572 BHFRJLAPJAERKC-MRXNPFEDSA-N 297.402 2.867 0 1 CFAF Cc1ccsc1CNC(=O)[C@@]1(C)CCN1C(C)C 61897823 YYGJLUIJXRQKSI-CQSZACIVSA-N 266.410 2.546 0 3 CFAF CCCC=C[C@H]1Cc2cc(O)c(C)c(O)c2C(=O)O1 2356802562 SKCMXYCMEOCGDG-NSHDSACASA-N 262.305 2.844 0 1 CFAF COC(=O)[C@H]1[C@H](/C=C/c2ccccc2)C[C@H]2CC[C@@H]1N2C 34125731 MGDFZOLBVULOAN-HIEPEZHHSA-N 285.387 2.972 0 1 CFAF Clc1ccc(-c2ccnc(NC3CCNCC3)n2)cc1 71329369 CRLCYUHWQKIZTC-UHFFFAOYSA-N 288.782 2.961 0 1 CFAF NC(=O)c1cc(-c2ccncc2)[nH]c1-c1ccccc1 43174115 YWWBPTREUNINAH-UHFFFAOYSA-N 263.300 2.843 0 1 CFAF CCOC(=O)c1ncc2c(c1COC)-c1cc(O)ccc1C2 40980400 ZGQGVCCBHYQURS-UHFFFAOYSA-N 299.326 2.682 0 1 CFAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@H]1c1cccs1)O2 84605038 BFJBGRWXGVSGLZ-WDCWCFNPSA-N 252.335 2.572 0 1 CFAF COC(=O)C[C@H]1[C@@H]2CC[C@@H](C[C@H]1Cc1ccccc1)N2C 194896449 ANHMPRQCQIOCSZ-TWMKSMIVSA-N 287.403 2.891 0 1 CFAF Cc1cccc2c1O[C@]1(OC(=O)c3ccccc31)C2=O 95592392 NVKWVWXIXLKAEP-MRXNPFEDSA-N 266.252 2.594 0 1 CFAF C/C1=C\[C@H]2OC(=O)[C@H](C)[C@H]2[C@@H](O)C/C(C)=C/CC1 238759488 TXSIFZZILWRCIY-FQIQMAGBSA-N 250.338 2.602 0 1 CFAF Cc1cncc([C@H]2CCCN(Cc3cccn3C)C2)n1 299850835 ULLSRPDFMWFGEQ-AWEZNQCLSA-N 270.380 2.503 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(C(=O)O)c1)O2 587407850 LOPXHVMAVDROME-HNNXBMFYSA-N 297.310 2.982 0 1 CFAF O=[S@](Cc1nc2ccc3ncccc3c2[nH]1)CC1CC1 586958794 JBQVOOSFWSDWQD-FQEVSTJZSA-N 285.372 2.770 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cncs1)O2 587415173 YBHASZUVKJGXKX-LLVKDONJSA-N 260.318 2.740 0 1 CFAF Cc1cnc2[nH]c(CC(=O)OCc3ccccc3)nc2c1 587782804 QDGXRIWGYYDQRJ-UHFFFAOYSA-N 281.315 2.552 0 1 CFAF COc1ccc(/C=C\Cc2nc3ncc[nH]c-3n2)c(OC)c1 587928993 IZOBPVFNLFPDHH-ARJAWSKDSA-N 296.330 2.578 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(CO)cc1)O2 587405463 XCXCNYWDKJYDTC-INIZCTEOSA-N 283.327 2.776 0 1 CFAF COc1ccc(C=O)cc1-c1nc2cc(F)cnc2[nH]1 587788203 ZLJJJPHQRBVOSS-UHFFFAOYSA-N 271.251 2.585 0 1 CFAF C[C@@H](c1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 13153780 SZNBRPRZLSIWNS-JDXTUSTESA-N 293.366 2.801 0 1 CFAF Cc1cc(-c2ccccc2)cc(C)[n+]1-c1cc[nH]n1 13472097 TUTBVVYHSXMEGP-UHFFFAOYSA-N 250.325 2.970 0 1 CFAF Oc1nc2ccc(Cl)cc2c2nc(-c3ccccn3)nn12 13860967 YIMMEIRULOZLFI-UHFFFAOYSA-N 297.705 2.699 0 1 CFAF CCCn1[nH]c(C)c(C(=N)c2cccc(Cl)c2)c1=O 169328117 QVFFDHPJAWMQJW-UHFFFAOYSA-N 277.755 2.964 0 1 CFAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)NCC[C@@]43C)[C@@H]1CC[C@@H]2O 169311230 HSMQDJJGFZMMRG-KLIQYNMKSA-N 291.435 2.726 0 1 CFAF COC[C@]12N[C@H](Cc3ccccc31)c1ccccc12 26012733 CGNHFLLBSFJUGU-SJORKVTESA-N 251.329 2.777 0 1 CFAF Cc1ccccc1-c1nnc(Nc2ncc[nH]2)s1 27994114 ILLNDROBLFYXOC-UHFFFAOYSA-N 257.322 2.980 0 1 CFAF COc1cc(-c2coc3cccc(O)c3c2=O)ccc1O 2356518250 KQECJJMEIKTTJP-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF COc1cc(OC)c2c(O)c3c(cc2c1)C(=O)[C@@H](C)OC3 2356649673 UOFWHQMYJLZYQW-MRVPVSSYSA-N 288.299 2.664 0 1 CFAF Cc1c2c(nn1Cc1ccccc1)C(=O)N1CCC[C@H]1C=N2 27434309 QHKKXFLFHBOUCH-AWEZNQCLSA-N 294.358 2.560 0 1 CFAF c1ccc(-c2nonc2SC2CCNCC2)cc1 39022501 OFFVOKPMWSHQKQ-UHFFFAOYSA-N 261.350 2.581 0 1 CFAF CCOc1c(Cl)cnn(C2CCCCC2)c1=O 45353350 DXMNYWPZPLHZNE-UHFFFAOYSA-N 256.733 2.801 0 1 CFAF COc1ccccc1C(=O)Oc1cncc(Cl)c1 40879156 YCYCTDMQSTYSLJ-UHFFFAOYSA-N 263.680 2.963 0 1 CFAF CS(=O)(=O)N1N=C2CCCC[C@H]2[C@@H]1c1ccc(F)cc1 42989244 KLRLPNHPDPJMOW-OCCSQVGLSA-N 296.367 2.688 0 1 CFAF COc1cc2c(cc1C)C(C(C)C)=C[C@H](O)[C@]2(C)O 95559956 FWTBVJPUVTUZIQ-JKSUJKDBSA-N 262.349 2.625 0 1 CFAF CCC(=O)Cc1cn(C(=O)O)c2ccc(OC)cc12 95585124 NVGVVSNJIBZODL-UHFFFAOYSA-N 261.277 2.698 0 1 CFAF COc1cccc2c1CCc1sc(NC(C)=O)nc1-2 96906404 FSNZKQYLSHJVSX-UHFFFAOYSA-N 274.345 2.876 0 1 CFAF Oc1ccc2c(-c3cnc(-c4cccnc4)s3)[nH]nc2n1 263620587 JCIZDZAGSUATFA-UHFFFAOYSA-N 295.327 2.849 0 1 CFAF in-vitro CN(C)[C@@H]1CCc2nc3cccc4c3c(c2C1)CC4 587212415 IMQBYJLYLMFINK-GFCCVEGCSA-N 252.361 2.752 0 1 CFAF COc1cc(OC)c2[nH]c([C@@H](N)c3ccsc3)nc2c1 587026278 WLHXPRADAYQQGR-LBPRGKRZSA-N 289.360 2.690 0 1 CFAF CN(C)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587508396 VNSHWQVXIDLRNV-KRWDZBQOSA-N 273.376 2.851 0 1 CFAF NCc1cccc(-c2nc3c(Cl)ccnc3[nH]2)c1 587246582 SKWZIBYEAAPNCQ-UHFFFAOYSA-N 258.712 2.737 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1ccc[nH]1)[C@@H](C2)C3=O 587438009 KOVABGXSQZBHBQ-ZBEGNZNMSA-N 269.300 2.686 0 1 CFAF Nc1cncc(-c2nc3cc(Cl)cc(F)c3[nH]2)c1 587253512 BASUTPRDYVDIJR-UHFFFAOYSA-N 262.675 3.000 0 1 CFAF Cc1ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2n1 586900477 CNGORBVOICSJNW-OCCSQVGLSA-N 265.316 2.835 0 1 CFAF COc1cc2c3c(c1)O[C@]1(CCn4cccc41)[C@@H](C2)C3=O 587434922 BWGHPNXHZWQHEI-YVEFUNNKSA-N 281.311 2.543 0 1 CFAF Cc1cc(C)c2[nH]c(-c3nc(Cl)cnc3N)nc2c1 587088100 RRWKXVJHTAXXTA-UHFFFAOYSA-N 273.727 2.872 0 1 CFAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1N1CCCCC1 587651374 RPBCIZBIEPBRCD-UHFFFAOYSA-N 292.404 2.870 0 1 CFAF COc1ncc(F)cc1-c1nc2cc(C)nc(C)c2[nH]1 587176567 WHOYTYJLHQAZBD-UHFFFAOYSA-N 272.283 2.784 0 1 CFAF Cc1c(C(=O)O)sc2c1C(=O)N1CCCCC=C1N2 958054868 SNBLDAZFACDREW-UHFFFAOYSA-N 278.333 2.648 0 1 CFAF Cc1ccc2nc([C@@H]3NCCc4ccc(O)cc43)[nH]c2c1 963350747 DGYJOQAODQUMDP-MRXNPFEDSA-N 279.343 2.812 0 1 CFAF Cc1ccc(NC(=O)CCc2nc3cnccc3[nH]2)cc1F 1772589464 PTMXEHDWJCMFIX-UHFFFAOYSA-N 298.321 2.977 0 1 CFAF C[C@H]1O[C@]2(CCCC[C@@H]2Oc2cccc(Cl)c2)NC1=O 5735526 PSHBCUHYCLAGPZ-DGFSRKRXSA-N 295.766 2.893 0 1 CFAF CCn1cccc1-c1ccccc1NCC1=NCCN1 13488564 RVBLRIXGADEXMC-UHFFFAOYSA-N 268.364 2.589 0 1 CFAF O=C1O[C@@H]2[C@@H](C[C@@H]1Cc1ccccc1)C2(Cl)Cl 169370912 DBRQQOGLJMVSRB-HBNTYKKESA-N 271.143 2.965 0 1 CFAF Cc1c(/C=C/CC(=O)O)c(O)c2c(O)cccc2c1O 169716744 HOZYNYHLQWUUMQ-ONEGZZNKSA-N 274.272 2.753 0 1 CFAF O=C(O)Cn1ccc(C(=O)c2ccc3ccccc3c2)c1 13493080 QOOBPWGBOLUQSI-UHFFFAOYSA-N 279.295 2.957 0 1 CFAF FC(F)(F)c1cc(-c2ccco2)nc(-n2cccn2)n1 426672 BQANOAQVHSSFFK-UHFFFAOYSA-N 280.209 2.941 0 1 CFAF Cc1cc([C@]23OC[C@@H](C)[C@H]2CC[C@H]3C)oc(=O)c1O 1911583071 NXASRCLLNRHDMV-UYUMYWFVSA-N 264.321 2.562 0 1 CFAF CNc1nc(C(C)(C)c2ccccc2)nc2c1CCNCC2 116694666 WUDRCBZOAWVACN-UHFFFAOYSA-N 296.418 2.532 0 1 CFAF O=C1[C@@H]([C@H](O)c2ccncc2)CCCN1Cc1ccccc1 103295709 KMPKFMFRUGUIDN-IAGOWNOFSA-N 296.370 2.554 0 1 CFAF CN(C)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)O 26947014 LYQOGCWCHQTUIS-FOIPXRHGSA-N 293.366 2.908 0 1 CFAF Cc1ccc(NC(=O)c2nc(N)nc3ccccc23)cc1 28862036 JMTYAQKKAFVFGX-UHFFFAOYSA-N 278.315 2.773 0 1 CFAF O=C1CCCN(c2ccccc2)N1C(=O)c1ccccc1 28767207 XKFHJUNVBRMYTO-UHFFFAOYSA-N 280.327 2.871 0 1 CFAF CO[C@H]1Cc2ccccc2C2(CCC(N(C)C)CC2)O1 71331906 QHESXFQVWOHXSA-ARWYELJZSA-N 275.392 2.931 0 1 CFAF CCCNc1ncc(C(N)=O)c2[nH]c3ccc(F)cc3c12 72125833 NGVAFSPHMCTAFX-UHFFFAOYSA-N 286.310 2.776 0 1 CFAF CCCCOc1cc(C(=O)NCC)nn1-c1ccccc1 33825076 KPTRQZWZURDPJL-UHFFFAOYSA-N 287.363 2.801 0 1 CFAF COC[C@H](C)Nc1cc(-c2ccc(C)cc2)ncn1 82161550 ZXAZQLOZAHFIQA-LBPRGKRZSA-N 257.337 2.899 0 1 CFAF O=C1CCC(c2ccc(NCc3ccccc3)cc2)=NN1 40641163 OXBDCTCBBFADDF-UHFFFAOYSA-N 279.343 2.913 0 1 CFAF NC(=S)N1N=C(c2ccco2)C[C@@H]1c1ccc(F)cc1 49792392 BFADHOWLTGTXAP-GFCCVEGCSA-N 289.335 2.813 0 1 CFAF CC(C)N1CCCC[C@@H]1c1nc2c(C(N)=O)cccc2[nH]1 40980941 PMXTWIFCBHVUJP-CYBMUJFWSA-N 286.379 2.597 0 1 CFAF CC(=O)CC[C@@H](C(C)C)[C@H]1[C@@H]2C[C@H](OC(C)=O)[C@](C)(O)[C@@H]21 238736228 JXZSGIRGRXOPRC-UYLCUJDWSA-N 296.407 2.576 0 1 CFAF C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@]1(c2ccccc2)C[C@H]1CN 299815905 LLMMBFHXEMHNDE-AHEZYBDSSA-N 286.419 2.693 0 1 CFAF O=C1O[C@@H]2[C@@H](C[C@H]1Cc1ccccc1)C2(Cl)Cl 299807911 DBRQQOGLJMVSRB-GMTAPVOTSA-N 271.143 2.965 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(CCC(C)=O)[C@@H](C2)C3=O 587444955 XQWGNBIRTLLVHQ-LRDDRELGSA-N 274.316 2.571 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1cccc(C)n1)[C@@H](C2)C3=O 587435518 IISLVHWSANSCQF-SJCJKPOMSA-N 281.311 2.887 0 1 CFAF COc1cc2c3c(c1)O[C@]1(C[C@H]4C=CC[C@H]41)[C@@H](C2)C3=O 587446772 FRIAQAAPQGJECY-QKCCSUDSSA-N 268.312 2.777 0 1 CFAF CCOC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527894 ZILWRQPTISQKMX-GFCCVEGCSA-N 260.333 2.936 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H]1CCCOC1)O2 587407159 AKKLNHIRYFORSM-ZBEGNZNMSA-N 275.348 2.728 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(Cc4ccccc41)[C@@H](C2)C3=O 587446863 HEEYCKWICIFLDT-KBXCAEBGSA-N 278.307 2.894 0 1 CFAF O=C(N=c1cc[nH]cc1)n1nc2cc1Oc1ccc(F)cc1-2 587876134 ZOTXUZVUXVTUAD-UHFFFAOYSA-N 296.261 2.692 0 1 CFAF C[C@@]1(C(N)=S)CC(=O)c2ccc3c(c2O1)CCCC3 587532923 QIAOBOGWACBQNF-HNNXBMFYSA-N 275.373 2.575 0 1 CFAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H]1OC)CC2=O 587482116 RYYXYRCUZKUTNQ-HOCLYGCPSA-N 276.332 2.858 0 1 CFAF O=C1COc2cc3[nH]c([C@H]4C[C@@H]4C(F)(F)F)nc3cc2N1 587092678 FOWDNUCQBVDCOT-WDSKDSINSA-N 297.236 2.560 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ncccc1F)O2 587384251 CEUYLLGSEUMCLC-MRXNPFEDSA-N 286.306 2.992 0 1 CFAF Cc1ccc(Nc2ncnn3ccc(C)c23)cc1O 13581406 ATRMGRIXDIZXRO-UHFFFAOYSA-N 254.293 2.795 0 1 CFAF CON(C)C(=O)NCCSc1nc2ccccc2s1 13650910 WGCJDTAMUUZTPP-UHFFFAOYSA-N 297.405 2.591 0 1 CFAF O=C1NCCc2c(-c3cccnc3)[nH]c3cccc1c23 13491957 KXPPOBXQOHQSAK-UHFFFAOYSA-N 263.300 2.516 0 1 CFAF CO[C@@H]1C=C(O)[C@H]2[C@H]3[C@H]4CCC[C@@]3(C)[C@@](C)(C4)[C@@]12O 2356372909 ORWWLYZBBATSFI-PATYQYIZSA-N 264.365 2.650 0 1 CFAF COc1cnc([C@@H](C)CO)c2[nH]c3ccccc3c12 2356418809 XSNMUAUBDFNEIO-VIFPVBQESA-N 256.305 2.821 0 1 CFAF Cn1c([C@H]2CCCN2C(=O)OC(C)(C)C)n[nH]c1=S 6550877 PXLDLQPLCKANSY-MRVPVSSYSA-N 284.385 2.550 0 3 CFAF CCOC(=O)[C@H]1[C@@H]2C=C[C@@H](CC2)N1c1ccccc1 59920360 NLRFKXAWPLOXQO-VHDGCEQUSA-N 257.333 2.773 0 1 CFAF CC[C@H](C)N(C)C(=O)COc1onc(C(F)(F)F)c1C 103189810 FKWVUIUOCHWTQP-ZETCQYMHSA-N 294.273 2.638 0 1 CFAF CCc1ccc(/C=C2\C(=O)Nc3ccc(O)cc32)[nH]1 28823444 QVDIFBAOKIFGOV-QPEQYQDCSA-N 254.289 2.775 0 1 CFAF COc1cc2[nH]c(-c3ccccc3)cc(=O)c2c(O)c1OC 28456976 DUXGTCWSWOYTLY-UHFFFAOYSA-N 297.310 2.918 0 1 CFAF CCN(CC)c1nc(-c2cccc(OC)c2OC)no1 21630888 JCASPTLQNUIQGZ-UHFFFAOYSA-N 277.324 2.600 0 1 CFAF CC1(C)C[C@@H]2C3=C(C(=O)O)CC[C@]3(C)[C@H](O)[C@H]2C1 2356721708 MRCMXACVBWPPKX-JOXOIDLHSA-N 250.338 2.595 0 1 CFAF O=C(Nc1ccc(-c2ccccc2)cc1)c1cnon1 66098658 RHWMSFMRYWRJOE-UHFFFAOYSA-N 265.272 2.989 0 1 CFAF O=C1CCCCCC[C@@H](O)[C@H](O)C[C@H](c2ccccc2)O1 199201888 MYEGRIRWSKJXRL-BZUAXINKSA-N 292.375 2.737 0 3 CFAF CN1C=CN(COC/C=C/C(C)(C)C)/C1=C\N=O 135881347 UUFKGOHHOOXTQR-NARAHQAKSA-N 251.330 2.847 0 1 CFAF CC(C)[C@H](C)Nc1ccc(F)c([C@]2(C)COCC(N)=N2)c1 143039014 VEBDOPAMPGWBDV-ZBEGNZNMSA-N 293.386 2.885 0 1 CFAF NC1=N[C@H](CCc2ccc(Cl)c(Cl)c2)CO1 149152199 XHKBMYNGNVWXGN-MRVPVSSYSA-N 259.136 2.640 0 1 CFAF Cc1ccc2c(c1)O[C@]1(OC(=O)c3ccccc31)C2=O 95591905 HMKFDZUHYBHVTP-MRXNPFEDSA-N 266.252 2.594 0 1 CFAF Cc1coc2c1[C@H](O)[C@]1(C)[C@H](CC[C@@H](O)[C@@H]1C)C2 257459352 JWKRZHJQYDUUNQ-WXSGPUQCSA-N 250.338 2.591 0 1 CFAF endogenous,in-man Cc1ccccc1-c1cc2cc(O)ccc2n(O)c1=O 299835077 LOYCLKVRLVDMRQ-UHFFFAOYSA-N 267.284 2.920 0 1 CFAF COC(=O)[C@H](COC(=O)c1ccccc1)c1ccccc1 653722932 ZGURFJGJYHKCGH-OAHLLOKOSA-N 284.311 2.800 0 1 CFAF Nc1nc(-c2ccco2)nc2cn(Cc3ccccc3)nc12 653854648 WHRXEWMAKBKKKJ-UHFFFAOYSA-N 291.314 2.717 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnoc1C)O2 587395617 SOKCAOZCOOQVAU-HNNXBMFYSA-N 272.304 2.754 0 1 CFAF CC[C@@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586893767 YKVNRJCSWYQAFT-RNCFNFMXSA-N 280.349 2.713 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](C1=COCC1)CC2=O 587484878 IMGCFKXTFOZTJQ-OAHLLOKOSA-N 274.316 2.983 0 1 CFAF CC/C=C\CCCc1cnc2nc(O)nc(O)c2c1 587562203 RTWMIGVYPJTYFQ-ARJAWSKDSA-N 259.309 2.725 0 1 CFAF OCc1ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c1 587087153 BKMQULHRMVRWGB-JTQLQIEISA-N 293.317 2.805 0 1 CFAF Sc1nc(-c2cccnc2)nn1Cc1ccccc1 13536762 VPSGJRQXODKPDO-UHFFFAOYSA-N 268.345 2.677 0 1 CFAF C[C@@]12Cc3ccccc3C[C@@H](Cc3ccc(O)cc31)[C@H]2N 169329812 XANQOAUSSHJWCS-KFKAGJAMSA-N 279.383 2.948 0 1 CFAF CC1=CC[C@]2(C[C@H]1O)[C@H](C(=O)O)CC[C@@H]2C(C)C 1857590324 ZIOMQRRFPWLXDN-QVHKTLOISA-N 252.354 2.841 0 1 CFAF CCC[C@@H](O)CC(=O)CCc1cccc(OC)c1 1911571247 BAYZBVGRBCCOEP-CYBMUJFWSA-N 250.338 2.748 0 1 CFAF COC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2 100754866 PRQICMQRAXJOCP-SYQHCUMBSA-N 279.767 2.737 0 1 CFAF Oc1c2nc3ccccc3c-2nc2n1CCCS2 101477290 PNJDGEWUFGKLRH-UHFFFAOYSA-N 257.318 2.738 0 1 CFAF CC(=O)c1c(O)c(C)nc(CCc2ccccc2)c1C(=O)O 103241307 MAWBKLBQRLZKDN-UHFFFAOYSA-N 299.326 2.782 0 1 CFAF CCc1c(C)nc2c(-c3ccccc3)c[nH]n2c1=O 100613096 CGMXDZAGECDQPD-UHFFFAOYSA-N 253.305 2.560 0 3 CFAF CCNc1cc(-c2nc(Cc3ccccc3)n[nH]2)ccn1 29398214 FCVSPXWZZFSPOS-UHFFFAOYSA-N 279.347 2.889 0 1 CFAF Cc1nn(C)c2c1C(c1ccccc1)=N[C@@H](C)[C@H](C)N2 28105571 XDCIGINZGLLDIJ-QWRGUYRKSA-N 268.364 2.768 0 1 CFAF Nc1nccc(-c2c[nH]c3c(Br)cccc23)n1 72108716 VHKRTWNLRWRPSB-UHFFFAOYSA-N 289.136 2.970 0 1 CFAF Cc1ccccc1-c1nc(Cn2nc(N)cc2C)co1 72181336 ZNZXHSNIXUAKOS-UHFFFAOYSA-N 268.320 2.785 0 1 CFAF C[C@H](CCOC(=O)c1ccccc1Cl)n1cncn1 43022496 UPNCASFZAJFPGP-SNVBAGLBSA-N 279.727 2.740 0 1 CFAF CN(C)/C=C1\C(=O)N(c2cccc(O)c2)c2ccccc21 40496617 PYXQNQLTYAUTOQ-PTNGSMBKSA-N 280.327 2.973 0 1 CFAF CC[C@H](C)C(=O)Nc1c2sscc-2n(C)c1=O 49803622 QVTRVXIOOPJFEZ-LURJTMIESA-N 270.379 2.598 0 1 CFAF CC(=O)OC[C@](C)(O)[C@@H]1CC[C@H](C)[C@@H]2CCC(=O)[C@@]2(C)C1 238732954 OHIGSAHQWRYTQF-PRIPBFSGSA-N 296.407 2.722 0 1 CFAF CCCCOC1=CC(=O)O[C@H]([C@@H](O)CCCC)C1 238775859 JMXFQDONSSPQOG-STQMWFEESA-N 256.342 2.554 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCS[C@H]1C)O2 587413336 GYZGLVWPWJHNQS-LKFCYVNXSA-N 263.362 2.807 0 1 CFAF N[C@]1(c2nc3cc(F)cnc3[nH]2)C[C@@H]1c1ccccc1F 587153885 BBPXQYYSQGAZTB-MEBBXXQBSA-N 286.285 2.578 0 1 CFAF CC(C)c1cc2c(O)nc(O)nc2nc1-c1ccccn1 587554174 DXEHMGXUNXQSGN-UHFFFAOYSA-N 282.303 2.621 0 1 CFAF O=C1C[C@@H]([C@H]2CCOC2)Oc2c1ccc1c2CCCC1 587529985 AFYXEVKPDDWWCR-LRDDRELGSA-N 272.344 2.936 0 1 CFAF Oc1cc(O)c2c(n1)CCc1c-2nc2cccc3c2c1CC3 587211789 ILANNVFUYNIZQL-UHFFFAOYSA-N 290.322 2.905 0 1 CFAF COc1cc2c3c(c1)O[C@]1(CSC[C@@H]1C)[C@@H](C2)C3=O 587452891 OEQIZXGMQSPRGF-CYBUAMNDSA-N 276.357 2.564 0 1 CFAF O=C1C[C@@]2(CCOC2)Oc2c1ccc1c2CCCC1 587535578 LMKZWNGPENMUJY-MRXNPFEDSA-N 258.317 2.690 0 1 CFAF Cc1c(F)ccc2c1[C@@H](c1ncc([C@H](C)O)s1)NCC2 962089062 FSCQHSOKRZIDJE-XPTSAGLGSA-N 292.379 2.879 0 1 CFAF C[C@@H](CNC(=O)Cn1cc2c(n1)CCCC2)c1ccccc1 5147212 SCVPAVOOLQRYLU-AWEZNQCLSA-N 297.402 2.682 0 1 CFAF Cc1c(CC(N)=O)c2cc(N)ccc2n1Cc1ccccc1 13446019 JTOLACJSFZBEHG-UHFFFAOYSA-N 293.370 2.608 0 1 CFAF Cc1ccc2c(c1)-c1oc(C(=O)O)cc(=O)c1CS2 28769350 CWQPNVNXGUXUBH-UHFFFAOYSA-N 274.297 2.919 0 1 CFAF CC1=CCS(=O)(=O)[C@@H]1[C@H](O)C1=C(C)CCCC1(C)C 1652910 QFXAVRIMIVBVLD-KGLIPLIRSA-N 284.421 2.617 0 1 CFAF CN(C)c1ncnc2c1ccn2Cc1ccccc1F 27305579 FVVZLOGGIYQTGG-UHFFFAOYSA-N 270.311 2.685 0 1 CFAF COCOC[C@H]1O[C@@]2(CC[C@@H]1C)OCCC[C@H]2C 29571384 MKECTFDGZJSCCW-REWJHTLYSA-N 258.358 2.565 0 1 CFAF CO[C@H]1O[C@@H]2C=C(C)[C@H]3C[C@@H]2[C@@]13CC(=O)CC(C)C 29042409 MCUOTNFFHWLCLN-LEOABGAYSA-N 264.365 2.945 0 1 CFAF CC1=N[C@H](c2ccc(O)cc2)[C@H](c2ccc(O)cc2)N1 28012779 DZAAVNRFHFCERB-IYBDPMFKSA-N 268.316 2.902 0 1 CFAF CCOC(=O)c1cc(O)c2c(c1)C1(CCCCC1)OC2=O 487814 ALFODEJFYPUFGL-UHFFFAOYSA-N 290.315 2.899 0 1 CFAF biogenic Cc1ccccc1[C@H]1N(c2ccccn2)C(=O)[C@@H]2CCCN21 75402942 IRYWOGQGJFDHTB-DOTOQJQBSA-N 293.370 2.900 0 1 CFAF COc1ccc(/C=C/C=C2\SC(=O)NC2=O)cc1 73311867 MWIKWAKSEYVBNS-ICKRUQPGSA-N 261.302 2.575 0 1 CFAF Cc1ccc([C@@H](O)CNC(=O)/C=C/c2ccccc2O)cc1 73160696 FIEOHSGIPZYIJC-DVQDXYAYSA-N 297.354 2.564 0 1 CFAF Cn1cnc(-c2ccccc2)c1[C@@H]1C[C@@H]1c1ccnc(N)n1 40425287 LUWKTNHNUUQNQZ-QWHCGFSZSA-N 291.358 2.730 0 1 CFAF COc1ccc2c(c1)C(=O)c1c-2c(=O)c2ccccc2n1C 473153281 ZTBYTLSPIBDFPZ-UHFFFAOYSA-N 291.306 2.759 0 1 CFAF CCOC(=O)C1=C(C)Nc2nccn2[C@H]1c1ccsc1 653725604 WSXKKCJQQJKOBS-LBPRGKRZSA-N 289.360 2.797 0 1 CFAF CC(C)(SCC(=O)O)c1nc2c(Cl)ccnc2[nH]1 586959404 NTZNVQISOKTBPU-UHFFFAOYSA-N 285.756 2.664 0 1 CFAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(CO)cc3[nH]1)C2 586885664 NHWBSAKIPZZRCB-RWMBFGLXSA-N 282.343 2.694 0 1 CFAF C[C@@H](F)[C@@H](N)c1nc2ccc(C(C)(C)C)nc2[nH]1 587123117 HWZGUUSBEQYPOP-GMSGAONNSA-N 250.321 2.613 0 1 CFAF Cc1ncsc1CCc1nc2cnc(Cl)[nH]c-2n1 587027260 TXLFQSJPHNJTOM-UHFFFAOYSA-N 279.756 2.508 0 1 CFAF CSCC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587876977 YPHTWMAZLCFBFD-UHFFFAOYSA-N 264.281 2.798 0 1 CFAF CC(C)(SCC(=O)O)c1nc2cc(Cl)cnc2[nH]1 586958399 FDYUVUPTFIERER-UHFFFAOYSA-N 285.756 2.664 0 1 CFAF CC[C@@H]1OCCC[C@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 586910333 HTRUVXVMVAJJII-OQPBUACISA-N 286.335 2.817 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(F)cn1)[C@@H](C2)C3=O 587428010 MPHIQYBGYHLVGW-YVEFUNNKSA-N 299.301 2.892 0 1 CFAF COc1cc2c3c(c1)O[C@@H](CC[C@@H]1CCCO1)[C@@H](C2)C3=O 587455835 QLVXYQPHUVQGMF-YUTCNCBUSA-N 288.343 2.770 0 1 CFAF COc1ccc(O)c(-c2coc3cc(O)ccc3c2=O)c1 12153448 RKJOOKNTHXOANR-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF biogenic,in-vitro O=C1OC(c2ccc(F)c(F)c2)=N/C1=C\c1cccnc1 12617413 RGZJPXGRSNFTML-MLPAPPSSSA-N 286.237 2.704 0 1 CFAF COc1ccc(N)c2c(=O)cc(-c3ccc(N)cc3)oc12 13652199 AVZSDQCTSBCIRQ-UHFFFAOYSA-N 282.299 2.633 0 1 CFAF COc1cc(-c2ccccc2C(=O)O)cc(C=O)c1O 169699656 HTUVNAQWLXNZAO-UHFFFAOYSA-N 272.256 2.579 0 1 CFAF COc1ccc(-c2ccc3c(=O)cc(O)cc-3o2)cc1O 169724869 UMFMCAXDNSKSGI-UHFFFAOYSA-N 284.267 2.831 0 1 CFAF CCCCNc1nc(N)ncc1OCc1csc(C)n1 205289338 HLZRJNFAROUKEW-UHFFFAOYSA-N 293.396 2.615 0 1 CFAF Nc1nc(N)c2c(Sc3ccccc3)cccc2n1 5974663 BUFDQCGCADQQQY-UHFFFAOYSA-N 268.345 2.945 0 1 CFAF in-vivo CN(C)Cc1ccccc1-c1cncnc1NC1CC1 4268350 OHLMTHVQGWHYTF-UHFFFAOYSA-N 268.364 2.780 0 1 CFAF COc1cc2c3c(c1O)-c1cc(O)ccc1C[C@@H]3N(C)CC2 6480976 QZGHIQMJUDEEIB-AWEZNQCLSA-N 297.354 2.859 0 1 CFAF COc1cccc(COC(=O)c2cccc(S)n2)c1 28969185 QHNITERHCRUTKV-UHFFFAOYSA-N 275.329 2.736 0 1 CFAF COc1ccc(-c2cc([C@H]3C[C@H]4CC[C@H]3N4)cnc2F)cn1 103249580 UXWSDUYQMDZWBJ-UMVBOHGHSA-N 299.349 2.899 0 1 CFAF C[C@H](N)c1csc(Nc2nccc(C(F)(F)F)n2)n1 61895892 GLYVQNYMHVYQOW-YFKPBYRVSA-N 289.286 2.715 0 3 CFAF C[C@]1(C(F)(F)F)OC(NC2CCCCCCC2)=NC1=O 28823988 GRTMACKGPNIOMO-LBPRGKRZSA-N 292.301 2.923 0 1 CFAF C[C@@H]1CC(=O)C[C@@]23CCN(C)[C@@H](Cc4ccc(O)cc42)[C@@H]13 29475541 QTMXUFYDRJEECW-KJGCIYADSA-N 285.387 2.505 0 1 CFAF Cc1cc([C@@H]2C[C@H](O)c3c(O)cc(O)cc3O2)ccc1O 2356582745 VSTNKEFYHIVZJZ-KBPBESRZSA-N 288.299 2.669 0 1 CFAF C[C@H]1CCC[C@@H](C)N1C(=O)[C@@]1(c2ccccc2)C[C@@H]1CN 26964317 LLMMBFHXEMHNDE-CXHZTBPHSA-N 286.419 2.693 0 1 CFAF Cc1ccc(NC(=S)SCC2=CCOC2=O)cc1 71410418 UKLPJLGSZHNAHH-UHFFFAOYSA-N 279.386 2.908 0 1 CFAF CC(C)(C)C1=C(C(=O)O)N2C(=O)/C(=C\c3ccccc3)[C@@H]2O1 38440027 NEZMOFNDDULBCY-GDXASINISA-N 299.326 2.611 0 1 CFAF Nc1cccc(O)c1-c1nc2cc3c(cc2[nH]1)OCCCO3 587249031 AIKVNGLJRKUCBP-UHFFFAOYSA-N 297.314 2.679 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1nc(C)ccc1O)[C@@H](C2)C3=O 587436431 QSDQJGWEMREIJC-APPDUMDISA-N 297.310 2.593 0 1 CFAF CCc1cc2c(O)nc(O)nc2nc1Cc1ccccc1 587560797 GTCZCKWJAFISGZ-UHFFFAOYSA-N 281.315 2.589 0 1 CFAF CC[C@@H]1OCCC[C@H]1c1nc2cc3c(cc2[nH]1)OCO3 586913280 PZJRDGHOODTIDG-SKDRFNHKSA-N 274.320 2.964 0 1 CFAF Cc1cc2c(c(O)n1)C(=O)O/C2=C\c1ccccc1 1857617869 GKDPRBSCSASNKW-WQLSENKSSA-N 253.257 2.764 0 1 CFAF NS(=O)(=O)c1ccc(SCc2ccccc2)s1 1772613794 VLFJWOLRJPMSIP-UHFFFAOYSA-N 285.415 2.688 0 1 CFAF C[C@]12CC(=O)Nc3ccccc3N1C(c1ccccc1)=NO2 5551818 RUJQGUDBSZASHN-KRWDZBQOSA-N 293.326 2.943 0 1 CFAF COc1c(C(C)=O)c(O)cc2oc(C(C)(C)O)cc12 13305338 NHLPQZFMYMAMRT-UHFFFAOYSA-N 264.277 2.577 0 1 CFAF COc1ccc(/C=C(/C(N)=O)c2ccc(OC)cc2)cc1 13560692 KGTJKCQYDQJXRV-LFIBNONCSA-N 283.327 2.730 0 1 CFAF COc1cc([C@@H](C)O)c(OC)c2c1OC(C)(C)C=C2 15210354 XOWHEVQOZGHZBH-SECBINFHSA-N 264.321 2.941 0 1 CFAF CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Cl)cc1)C2 169354000 VLQKEPLNPGYNDJ-BTTYYORXSA-N 278.783 2.695 0 1 CFAF CC(=O)N1[C@H]2CC[C@H]1[C@@H](c1ccc(Cl)nc1)C2 169369381 PNXFGWLSNKMJSP-TUAOUCFPSA-N 250.729 2.602 0 1 CFAF Oc1cccc(C[C@H](c2ccccc2)N2CCNCC2)c1 29473867 VPNYIGJUQBPBMU-GOSISDBHSA-N 282.387 2.581 0 1 CFAF in-vivo C[C@H]1C(=O)O[C@@H]2[C@H]1CC[C@]1(C)CCC(=O)[C@H](C)[C@H]21 3895651 BXRGGUXPWTWACZ-ANASFKHQSA-N 250.338 2.579 0 1 CFAF in-man CCCCC1=C[C@@H](C2=NO[C@H](C(=O)OC)C2)C(Cl)=N1 101652606 JCCXEJUXJXMMCI-ONGXEEELSA-N 284.743 2.646 0 1 CFAF N=C(N)Nc1c(-c2ccccc2)[nH]c2ncccc12 28713374 QUMBHWVNZMWOGC-UHFFFAOYSA-N 251.293 2.535 0 1 CFAF NCCNCc1cc(-c2ccccc2)nc2ccccc12 28244542 NVYNPAFGOVKCBU-UHFFFAOYSA-N 277.371 2.950 0 1 CFAF CC(=O)CC[C@H](C=C[C@]1(C)C[C@H](O)CO1)C(C)C 2356479888 HNZVGCPOGGNFAH-QLFBSQMISA-N 254.370 2.724 0 1 CFAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)NC1CCCCC1 2356541122 GFXOCCWFNLHNCD-IJEWVQPXSA-N 293.455 2.739 0 1 CFAF Oc1ccc(Nc2nccc(-c3cccnc3)n2)cc1 26652086 NQKGYDWIKNFUJY-UHFFFAOYSA-N 264.288 2.988 0 1 CFAF O[C@@](c1cccnc1)(c1cncnc1)c1ccccc1Cl 72102372 MSAOCTXGBAGSRS-INIZCTEOSA-N 297.745 2.809 0 1 CFAF CN1Cc2ccccc2[C@H](c2ccc3ccnn3c2)C1 35898756 XMNGPUYPQMMGIP-KRWDZBQOSA-N 263.344 2.912 0 1 CFAF CCCCOC(=O)C[C@@H]1CC(c2ccc(OC)cc2)=NO1 82155638 CJGLWLOVYFANBN-AWEZNQCLSA-N 291.347 2.922 0 1 CFAF COc1cc(O)c(CCC(=O)c2ccc(O)cc2)c(O)c1 238777301 DCCXVROJIFHCQK-UHFFFAOYSA-N 288.299 2.628 0 1 CFAF Nc1ncc(Cl)nc1-c1nc2cc(F)c(F)c(F)c2[nH]1 587088540 ZCXZNWOGHOWGFA-UHFFFAOYSA-N 299.643 2.673 0 1 CFAF O[C@H]1C[C@@H](c2nc3cnc(Cl)[nH]c-3n2)c2ccccc21 586903838 QKBWIQMWAVTGCS-KOLCDFICSA-N 286.722 2.527 0 1 CFAF C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602947 LRKDEKBIHCKSHE-TVQRCGJNSA-N 256.257 2.742 0 1 CFAF CCCC/C=C\c1nc2c(O)nc(S)nc2[nH]1 587964984 FXCRQLCHWQHARQ-WAYWQWQTSA-N 250.327 2.551 0 1 CFAF COC(=O)c1cc2nc(C3(F)CCCCC3)[nH]c2cn1 587133197 ZZKAWZSSBNPFAA-UHFFFAOYSA-N 277.299 2.873 0 1 CFAF Oc1ncnc2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12 586886875 DOASDZCKPHAYRO-AMDHYVTDSA-N 270.336 2.526 0 1 CFAF Nc1cc2nc(-c3ccc(Cl)nc3F)[nH]c2cc1N 587177209 CJNASZPTTUMVRT-UHFFFAOYSA-N 277.690 2.582 0 1 CFAF NC(=O)[C@H]1CCC[C@H]2c3cc(Cl)ccc3N[C@H]12 13677632 NYORQUCSPQVLTE-AUTRQRHGSA-N 250.729 2.503 0 1 CFAF CO[C@@]1(C)[C@H]2C[C@H]2[C@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@H]12 1772592835 ZILBUVKZVYLCTP-KROPCVFLSA-N 262.349 2.699 0 1 CFAF COc1cc2c(=O)c(-c3ccccc3O)coc2cc1O 14811688 NZKZXXZIAHQNLV-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF C[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1 14967330 GOAWAIWPXRSCFF-ZCFIWIBFSA-N 284.237 2.740 0 1 CFAF CN(C)C(=O)Cn1c2ccccc2c2ccccc21 1180074153 HLIZEAZXGXRHKD-UHFFFAOYSA-N 252.317 2.883 0 1 CFAF O[C@@]1(c2ccc(Cl)cc2)Cc2ccccc2C2=NCCN21 27869279 OYHRTIFEWIRHKM-QGZVFWFLSA-N 298.773 2.804 0 1 CFAF CC(C)N1CCC2(CC1)NNc1ncccc1-n1cccc12 1633356 BWWRCSAWQPGMIX-UHFFFAOYSA-N 297.406 2.502 0 1 CFAF Cn1cc(-c2noc([C@H]3CN4CC[C@@H]3C4)n2)c2ccccc21 29317904 DTXGABJYFGPQQR-YPMHNXCESA-N 294.358 2.647 0 1 CFAF Oc1cncc(-c2ccccc2O[C@@H]2C[C@H]3CNC[C@@H]2C3)c1 58534670 WXTQMACZCSXJTB-XAYKYTGQSA-N 296.370 2.831 0 1 CFAF CC(C)C1OCC([C@@H](c2ccccc2)N(C)C)CO1 39215625 AFYCNPUKSYWCLY-HWOWSKLDSA-N 263.381 2.934 0 1 CFAF O=P(O)(O)Cc1cc(-c2ccc(F)cc2)ccn1 72109634 XXLVADCYTGEKRA-UHFFFAOYSA-N 267.196 2.565 0 1 CFAF O=C(Nc1ccc(O)cc1)c1cc(NC2CCCC2)ncn1 49033002 UNXZSIPDGFTOFF-UHFFFAOYSA-N 298.346 2.789 0 1 CFAF NC1=N[C@@H](CCc2ccc(Cl)c(Cl)c2)CO1 43197446 XHKBMYNGNVWXGN-QMMMGPOBSA-N 259.136 2.640 0 1 CFAF Cc1ccc(C[C@@H](NC(=O)C2CCCCC2)C(=O)O)cc1 41465930 BLCVEUHQKPTQGA-OAHLLOKOSA-N 289.375 2.687 0 3 CFAF 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2.729 0 1 CFAF in-vitro c1ccc(-n2ncnc2-c2ccc3c(c2)OCO3)cc1 4030585 ZRRXYJYBNGROMZ-UHFFFAOYSA-N 265.272 2.663 0 1 CFAF CN(C)c1ccc(-c2sc3cccc[n+]3c2O)cc1 29406439 MEPHBCXDHBYSHO-UHFFFAOYSA-O 271.365 2.925 0 1 CFAF O=C1NC[C@H](c2ccccc2)N1c1ccc2[nH]cnc2c1 116195384 GMRKJTXUXSMGDK-OAHLLOKOSA-N 278.315 2.834 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2ccc(C)c(F)c2)C[C@@H]2CC[C@@H]1N2C 101025869 ZIXPADCAHDMWPA-LQKXBSAESA-N 291.366 2.873 0 1 CFAF COCCNc1nccc2[nH]c(-c3ccccc3)nc12 74386547 CPFGKQRTNYIUTQ-UHFFFAOYSA-N 268.320 2.683 0 1 CFAF CC(C)c1ccc2oc(N3CCN4CCC3CC4)nc2n1 45392943 IGFUQEMXLUQWDZ-UHFFFAOYSA-N 286.379 2.631 0 1 CFAF COc1cc(/C=C/[C@H]2CC=CC(=O)O2)cc(OC)c1OC 84709853 OZHWJMXRBZHJMM-ABZNLYFFSA-N 290.315 2.597 0 1 CFAF CCOCCn1c([C@H]2CCCN(C)C2)nc2ccccc21 49110815 VWKIIEUSSJXADS-AWEZNQCLSA-N 287.407 2.882 0 1 CFAF COc1ccc(CNCCc2cccc(O)c2)cc1OC 238747110 CPGDCBHZADJBGW-UHFFFAOYSA-N 287.359 2.742 0 1 CFAF N=C(NCc1ccccc1)NC(=O)OCc1ccccc1 147071096 YJLXZQGXMPQRRM-UHFFFAOYSA-N 283.331 2.637 0 3 CFAF CCOC/C=C/c1cc(OC)c(OC)c(OC)c1 238732121 OEWZFCXQOKPDBE-VOTSOKGWSA-N 252.310 2.762 0 1 CFAF O=C(O)c1cc2sc(=Nc3ccccc3)[nH]c2cc1O 473085094 VKPHGWBGAGWXLG-UHFFFAOYSA-N 286.312 2.866 0 1 CFAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)c(N)c2c1 587650638 PNFMNVBQTWLWDE-UHFFFAOYSA-N 286.356 2.821 0 1 CFAF Cc1cncc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c12 587158792 XSDUHXUQZYXFNW-ZBEGNZNMSA-N 282.322 2.747 0 1 CFAF CC(C)C[C@H](O)c1nc2c(Br)ccnc2[nH]1 586900304 DEOJRIVOICIBHE-QMMMGPOBSA-N 284.157 2.800 0 1 CFAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1O 587397810 BKLPOVZGQLJUDB-OAHLLOKOSA-N 299.326 2.998 0 1 CFAF COc1ccc2[nH]c(-c3ccc(CO)cc3)nc2c1 586895532 LKGXSZIHMZLNLK-UHFFFAOYSA-N 254.289 2.731 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1cncs1)[C@@H](C2)C3=O 587449921 CMISGFFDGNHSMQ-ZUZCIYMTSA-N 287.340 2.815 0 1 CFAF COC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1ccncc1 587636966 QZRUCBFOCZWBPS-UHFFFAOYSA-N 298.273 2.720 0 1 CFAF CC[C@@H]1OCCC[C@H]1c1nc2ccc(CO)cc2[nH]1 586914532 WGLXSLLCPYVJCM-RISCZKNCSA-N 260.337 2.728 0 1 CFAF COc1ccc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2n1 586885610 NAWUDULRBCHZSE-VWYCJHECSA-N 283.331 2.605 0 1 CFAF Fc1cccc([C@H]2C[C@H]2c2nc3cncnc3[nH]2)c1F 587152833 SFIYVZODARALFY-RKDXNWHRSA-N 272.258 2.902 0 1 CFAF CC1=C[C@]2(C(=O)CO1)c1ccc(F)cc1C[C@@H]1CCCN12 963113808 ZYNUNWBKOWRXOP-WMLDXEAASA-N 287.334 2.545 0 1 CFAF O=C(c1ccccc1)[C@H](Cc1ccccc1)OC[C@H]1CO1 84403386 BBJQHTPVRVZKSU-SJORKVTESA-N 282.339 2.896 0 1 CFAF Cc1ccnc2c1CCN[C@@]2(Cc1ccccc1)CN(C)C 963066350 GWDRCGVIXWIRKR-IBGZPJMESA-N 295.430 2.535 0 1 CFAF O=Cc1cc(/C=C/c2cc(O)cc(O)c2)ccc1O 1857616853 WTQVAZILUGEBFG-OWOJBTEDSA-N 256.257 2.786 0 1 CFAF CC(C)c1ccc(Cc2c[nH]c3c(=O)[nH]c(N)nc23)cc1 13798536 YNFSXUMIKXWTHB-UHFFFAOYSA-N 282.347 2.548 0 1 CFAF CCn1[nH]c(C)c(C(=N)c2cccc(Cl)c2)c1=O 169325722 UUXXSEMFXKVEAB-UHFFFAOYSA-N 263.728 2.574 0 1 CFAF CN1CC[C@@]23CCCC[C@@H]2[C@H]1Cc1ccc(N)cc13 164366974 CYPHSPITDGFDMD-OIISXLGYSA-N 256.393 2.957 0 1 CFAF O=S(=O)(NCc1ccc2[nH]ccc2c1)c1ccccc1 1857551249 QJKHMBKVRMWXFJ-UHFFFAOYSA-N 286.356 2.646 0 1 CFAF COC(=O)c1c(O)ccc2c1[C@@H]1COc3ccccc3[C@H]1O2 6482613 HUEIDPMALRFMJO-MGPLVRAMSA-N 298.294 2.789 0 1 CFAF CCCCCCOc1ccc2c(c1)CCc1nnnn1-2 103220564 KLMDJSKQGABAQZ-UHFFFAOYSA-N 272.352 2.720 0 1 CFAF CO[C@H](C)CN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C 100796775 OYOSCGNGSBDVQJ-OBQMCUGOSA-N 289.419 2.951 0 1 CFAF O=C(O)c1cc(-c2ccc(F)c(C(F)(F)F)c2)ncn1 117587359 APXXWDOJQAHCGR-UHFFFAOYSA-N 286.184 3.000 0 1 CFAF COc1cc(Br)c2c3c([nH]c2c1)CNCC3 25965853 UOJPZOFUKSVRMM-UHFFFAOYSA-N 281.153 2.585 0 1 CFAF CC(=O)NCCCc1cn2c3c(cccc13)CCC2 28712587 YFLPKZCHTCYXJL-UHFFFAOYSA-N 256.349 2.656 0 1 CFAF CCC[C@@H]1[C@H](C)C[C@](O)(CC)[C@@H]1[C@@]1(CC)OC(=O)C[C@@H]1O 2356640440 BSZWGEKCCWIUCC-DCPIPXHOSA-N 298.423 2.656 0 1 CFAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1ccccc1 2356810150 AWWFFQQKMRFNDL-YCPHGPKFSA-N 287.407 2.929 0 1 CFAF CC[C@H](C)Cc1nc2c(cnn2C2CCCC2)c(=O)[nH]1 34125148 CMRWPJDNENEYTL-JTQLQIEISA-N 274.368 2.823 0 1 CFAF O=C1CCC(c2ccc(Cl)cc2)=NN1CN1CCCC1 49803235 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C[C@@H](O)[C@H]1C[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CCN(C2)[C@@H]13 35823661 TVPHSOXWTLOHCG-KDDSVKQOSA-N 296.414 2.899 0 1 CFAF C[C@@]12CCC(=O)N[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 34164814 SXIPXKUAHBNRLJ-XPHSZZCNSA-N 291.435 2.869 0 1 CFAF Cn1cc(C2(CNC(=O)C3CC3)CCC2)c2cc(O)ccc21 36188174 LIXHWTJZFXGFHQ-UHFFFAOYSA-N 298.386 2.832 0 1 CFAF COc1cc2c(cc1O)[nH]c1cc(O)c(C=O)cc12 84727166 SSKMMRPVAASZHW-UHFFFAOYSA-N 257.245 2.553 0 1 CFAF NC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NN1 238765851 ZTJHZWRBADIQSX-UHFFFAOYSA-N 270.723 2.642 0 1 CFAF CCNC(=O)CCc1nc2ccc(C(C)(C)C)cc2[nH]1 587230463 KQFSBBLDJGBSLT-UHFFFAOYSA-N 273.380 2.929 0 1 CFAF Cc1c(Br)cnc2[nH]c([C@@H]3CCOC3)nc12 586911684 KZPVQXLAQNYDQB-SSDOTTSWSA-N 282.141 2.533 0 1 CFAF CCOC(=O)Cc1nc2cccc(C(C)(C)C)c2[nH]1 587777479 MUXBPRANUZIBFA-UHFFFAOYSA-N 260.337 2.966 0 1 CFAF Oc1nc(O)c2ccc(Cc3c[nH]c4ccccc34)nc2n1 587556823 ZULDIDLZTBYVAK-UHFFFAOYSA-N 292.298 2.508 0 1 CFAF CC[C@@H](C)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587954775 CGQRSNQHKJTSAT-GFCCVEGCSA-N 272.396 2.828 0 1 CFAF NC1CCC(c2nc3cc(Cl)cnc3[nH]2)CC1 587256418 IDWNKDONLGCFPG-UHFFFAOYSA-N 250.733 2.596 0 1 CFAF CCCc1c(O)ccc2c1O[C@]1(CCNC[C@H]1C)CC2=O 587485634 PTQZSZJTJBGFAH-PIGZYNQJSA-N 289.375 2.678 0 1 CFAF CCCc1c(O)ccc2c1O[C@]1(CCN[C@@H](C)C1)CC2=O 587484780 NPMWQBDPKFHDGA-GTNSWQLSSA-N 289.375 2.821 0 1 CFAF CC(C)[C@](C)(O)c1nc2cc3c(cc2[nH]1)OCCCO3 586893521 ZWGSPXVZGJDWLS-HNNXBMFYSA-N 276.336 2.588 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCN3CCC[C@@H]31)O2 587395338 PXFOSYCCHFDXTN-NVXWUHKLSA-N 286.375 2.539 0 1 CFAF CC[C@@H]1OCCC[C@@H]1c1nc2ccc([C@H](N)N=O)cc2[nH]1 586907582 BCNFTLNQHPUUIT-LEWSCRJBSA-N 288.351 2.959 0 1 CFAF O=C1C[C@]2(CCCNC2)Oc2c1ccc1c2CCCC1 587521568 CMLHJUXMBJZHEX-KRWDZBQOSA-N 271.360 2.653 0 1 CFAF O=C([C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCN(c2ccccc2)CC1 5938991 XFIHTPPEWXZMBK-HLLBOEOZSA-N 282.387 2.547 0 1 CFAF CCCN1Cc2ccccc2[C@@H]2Cc3nc(N)ncc3C[C@H]21 13556863 JPOIIIWKNMUXLB-DOTOQJQBSA-N 294.402 2.535 0 1 CFAF NC1=NC[C@H](c2ccccc2)N1CCc1cccc(F)c1 13662132 YRMPCBTVONYZRS-MRXNPFEDSA-N 283.350 2.740 0 3 CFAF COc1ccc2c(c1)c1c(n2C)CCC[C@H]1CNC(C)=O 13755763 CYOQJCSHEFAKNY-LBPRGKRZSA-N 286.375 2.743 0 1 CFAF in-vitro COc1cccc(-c2noc([C@H]3CN4CCC3CC4)n2)c1 13860857 AIPRLGDWOLBSDP-AWEZNQCLSA-N 285.347 2.554 0 1 CFAF CCCCN(C)c1cc(NC(=O)c2ccccc2)ncn1 169342097 PCCIUYGOJZTTBB-UHFFFAOYSA-N 284.363 2.965 0 1 CFAF Cn1cc(-c2cn3c(-c4cccc(O)c4)cnc3cn2)cn1 1857598953 PGQOTHKVFDYGPM-UHFFFAOYSA-N 291.314 2.502 0 1 CFAF Nc1nc(N)c2c(Sc3ccc(O)cc3)cccc2n1 5974273 OGRUZUGYNICKGM-UHFFFAOYSA-N 284.344 2.651 0 1 CFAF Cc1cc(N)ccc1NC(=N)Nc1cccc(O)c1 26480118 HHJKYDLKRGBEDC-UHFFFAOYSA-N 256.309 2.742 0 1 CFAF CCOC(=O)N1CCN(CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 218173 AYUIJBCGHTUASL-GJZGRUSLSA-N 292.423 2.753 0 1 CFAF O=P1(c2ccc(C(F)(F)F)cc2)CCOCC1 1911579926 ZEZKQTSWHMPFHQ-UHFFFAOYSA-N 264.183 2.724 0 1 CFAF CCN(CC)c1ccc(Nn2c(C)ccc2C)nn1 26020064 KFQWBKCCENKKLA-UHFFFAOYSA-N 259.357 2.616 0 1 CFAF O=c1c2c(nc3cc(-c4ccccc4Cl)[nH]n13)CCC2 103898276 OTVYMSCTGUYOHB-UHFFFAOYSA-N 285.734 2.832 0 3 CFAF CN(C)c1ccc(N2Cc3ccccc3C2=O)cc1 29038409 CXUFLXXEAHUJRC-UHFFFAOYSA-N 252.317 2.913 0 1 CFAF CC1=CCC(=O)[C@H](C)CC[C@@H]2[C@H](C1)OC(=O)[C@H]2C 2356625541 PQRMUWWEXAQGMS-UHXUPSOCSA-N 250.338 2.890 0 1 CFAF Cc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 43022430 HKMZTVMDWMICAE-HNNXBMFYSA-N 272.392 2.599 0 1 CFAF c1cc2cc(-c3cn([C@H]4CN5CCC4CC5)nn3)ccc2o1 220726382 LWQLZCWBSPLMBP-INIZCTEOSA-N 294.358 2.958 0 1 CFAF COc1cccc(-c2ccc3ncnc(N)c3c2)c1 148842270 HAFNABUNLVCDOP-UHFFFAOYSA-N 251.289 2.888 0 1 CFAF C[C@@H]1O[C@@H](C(C)(C)C)CC2=C1C(=O)OC(C)(C)O2 95567177 WWOUMTNWQRUXPK-WCBMZHEXSA-N 254.326 2.774 0 3 CFAF O=C(CCc1ccc([N+](=O)[O-])cc1)n1nnc2ccccc21 141712588 MRIPCODEPJIHCY-UHFFFAOYSA-N 296.286 2.613 0 1 CFAF CCN1C=NS(=O)(=O)c2c(Cl)sc(Cl)c21 98067401 BGAQVOMTJFMIMH-UHFFFAOYSA-N 285.177 2.612 0 1 CFAF Cn1cc(-c2nc3c(N)ccnc3[nH]2)c(C(F)(F)F)c1 587115744 ZYLNPSXAFDSRFK-UHFFFAOYSA-N 281.241 2.564 0 1 CFAF FC(F)(F)[C@](F)(Cl)c1nc2cnc(Cl)[nH]c-2n1 587090693 VUEVZEYSDXLCPF-LURJTMIESA-N 289.019 2.881 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnsc1)O2 587413306 GQQWWVSNEGXHCC-LBPRGKRZSA-N 260.318 2.740 0 1 CFAF CC(=O)c1ccc2nc(-c3c(N)cccc3O)[nH]c2c1 587251099 YWGOTQSYHVCHOA-UHFFFAOYSA-N 267.288 2.720 0 1 CFAF CC[C@]1(c2cnccn2)CC(=O)c2cc(C)cc(N)c2O1 587393489 HRTKRZFHVRFQPF-MRXNPFEDSA-N 283.331 2.638 0 1 CFAF CC(=O)c1ccc2c(c1)N(N)c1ccccc1CC2 84400764 NPXXIGWNFWPKLR-UHFFFAOYSA-N 252.317 3.000 0 1 CFAF Cc1cc2c(cc1F)[C@]1(CCc3cc(CN)ccc31)NCC2 962090122 IXQAHPHMIRJEKY-LJQANCHMSA-N 296.389 2.928 0 1 CFAF O=Cc1cccc(Oc2no[n+]([O-])c2-c2ccccc2)c1 1772654488 LQANLKYACMKYLW-UHFFFAOYSA-N 282.255 2.580 0 1 CFAF Cc1cc(Br)cc(C)c1CC1=NCCN1 13779804 XWSXHGJVQZINIK-UHFFFAOYSA-N 267.170 2.610 0 1 CFAF CN(C)c1ccc(SCC(=O)C(F)(F)F)cc1 13859416 AMLRMDZABZAEOO-UHFFFAOYSA-N 263.284 2.976 0 1 CFAF c1ccc(CCN[C@@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@H]([C@H]25)[C@@H]3[C@H]64)cc1 169300509 KBAKPEFQDPCCTP-OOXFSQELSA-N 265.400 2.965 0 1 CFAF COc1cc(N[C@@H](C)CCN)c2nc(C)ccc2c1 169322707 FROOZDGITOMJEJ-NSHDSACASA-N 259.353 2.701 0 1 CFAF CCO[C@H]1CN(C)CCc2cc(Cl)c(O)cc21 3960 UWJZELKDZCMKAN-ZDUSSCGKSA-N 255.745 2.611 0 1 CFAF COc1ccc2oc(=N)c(C(=O)Nc3ccccn3)cc2c1 4729418 FYHFOKBIVKUNDD-UHFFFAOYSA-N 295.298 2.568 0 1 CFAF COc1cc2c(cc1OC)C(C)=[N+]([O-])[C@H](c1ccncc1)N2 28767989 UZRMVLFHQANQJZ-MRXNPFEDSA-N 299.330 2.542 0 1 CFAF COc1ccc(CNC(=O)c2occc(=S)c2O)cc1 59114891 DGXFQYLGURWMJI-UHFFFAOYSA-N 291.328 2.653 0 1 CFAF Cc1cc2[nH]c3ccccc3c2c2c1C(=O)NC2=O 28568656 DSCSSQAANWCYAP-UHFFFAOYSA-N 250.257 2.513 0 1 CFAF in-vivo CC(C)Cn1cnc2c(N)nc3cc(O)ccc3c21 28476582 KJGWHYKEFBISAX-UHFFFAOYSA-N 256.309 2.528 0 1 CFAF O=P(O)(O)OC(F)(F)c1ccc2ccccc2c1 26975941 PZTXDSDEUMYUMI-UHFFFAOYSA-N 274.159 2.998 0 1 CFAF CN1CCN([C@@H](Cc2cccc(O)c2)c2ccccc2)CC1 29478897 SNEATSWSSQYWFG-IBGZPJMESA-N 296.414 2.923 0 1 CFAF C[C@@H]1CCCc2c1sc1c2CN2C(=NC(=O)[C@H]2C)N1 27212193 KQGUGVRHFDKRTR-HTQZYQBOSA-N 275.377 2.700 0 1 CFAF CC[C@@H](C)[C@H]1CNCCN1CCc1cccc(F)c1 22929220 QNBKEARLHRXUOQ-CZUORRHYSA-N 264.388 2.688 0 3 CFAF CCCCC[C@@H](O)/C=C/[C@H]1CCC[C@](O)(CC(=O)O)C1 27561783 WBWCYGPCAAUUOR-MXGUUFQVSA-N 284.396 2.880 0 1 CFAF CC(=O)O[C@@H]1CC[C@H]([C@@H]2CCC(C)=C[C@@H]2O)OC1(C)C 2356507657 DLVKQKPFILNVPL-LXTVHRRPSA-N 282.380 2.593 0 1 CFAF COc1ccc2[nH]c3c(c2c1)C(C)(C)CN(C)C3=O 28901724 SMCMIKUTQBNQQB-UHFFFAOYSA-N 258.321 2.540 0 1 CFAF COCCCNc1cc(-c2ccc(F)cc2F)ncn1 82161587 GDHLBCHHHYWRMV-UHFFFAOYSA-N 279.290 2.870 0 1 CFAF Cc1ccccc1O[C@@H]1c2ccccc2CO[C@@H]1CN 40975176 BHTUHPLMWNGSLY-IAGOWNOFSA-N 269.344 2.973 0 1 CFAF Cc1c2n(c3ccccc13)CC[C@H]1[C@@H]2N(C)CCN1C 40712407 YKAJDELWEFYBED-RDJZCZTQSA-N 269.392 2.640 0 1 CFAF CC1=CCc2c(cc(O)c3c(=O)cc(C)oc23)OC1 238754990 PABSKSCIISVXKN-UHFFFAOYSA-N 258.273 2.688 0 1 CFAF Clc1ccnc(COc2cc3n(n2)CCCC3)c1 96911198 ZUAJNUCPKBLBLD-UHFFFAOYSA-N 263.728 2.847 0 1 CFAF C/C1=C/CC(=O)[C@H](C)C[C@@H]2OC(=O)[C@H](C)[C@@H]2CC1 257465011 KLZWSNKEPLKAOS-JONKRFGVSA-N 250.338 2.890 0 1 CFAF endogenous,in-man CC(=O)N[C@@H]1CC[C@@]2(C)O[C@H]2CC(C)(C)C=CC(=O)[C@@H]1C 299808772 RYASKCVILJQQLB-JSHWQEIDSA-N 293.407 2.620 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCn1cccn1)O2 587392639 UPAGNCSQOKLHRM-INIZCTEOSA-N 285.347 2.588 0 1 CFAF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)N1CCOCC1 587626380 GCDPLZUVOKRRPM-UHFFFAOYSA-N 292.766 2.911 0 1 CFAF CC(C)[C@@](C)(O)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586890019 PGUASMHKVONKTF-GFCCVEGCSA-N 284.262 2.748 0 1 CFAF CCNC(=O)CCc1nc2cccc(C(C)(C)C)c2[nH]1 587229726 CACVGLCNTVLDHL-UHFFFAOYSA-N 273.380 2.929 0 1 CFAF COC(=O)c1cc2nc(-c3ccc(C)cc3OC)[nH]c2cn1 587924724 CNPHRHFKYCIUPV-UHFFFAOYSA-N 297.314 2.729 0 1 CFAF Cc1cc2[nH]c(-c3cc(CO)ccc3F)nc2c(C)n1 587140566 NJXWGUMUIUXVPP-UHFFFAOYSA-N 271.295 2.873 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H](O)C(C)(C)C1)O2 587404132 NUZHNHKHGCUGQQ-WMLDXEAASA-N 289.375 2.852 0 1 CFAF N[C@H]1CC[C@@H]1c1nc2ccc(F)c(Br)c2[nH]1 587246777 NLWPVHSWRDEBTR-FSPLSTOPSA-N 284.132 2.669 0 1 CFAF COC(=O)CCCC[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587401438 YAVNNTNUYQYGNW-NSHDSACASA-N 291.347 2.644 0 1 CFAF CC[C@@H]1OCCC[C@@H]1c1nc2ccc(CCO)cc2[nH]1 586908707 CQZHWGLTIFLNLP-WFASDCNBSA-N 274.364 2.770 0 1 CFAF Oc1c(Br)ccc2nc([C@@H]3CCOC3)[nH]c12 586911682 KXCPNZRPXMFROB-ZCFIWIBFSA-N 283.125 2.535 0 1 CFAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc[nH]c(=N)c2[nH]1 587930823 PWPRDIJAYNENNL-GTNSWQLSSA-N 294.358 2.824 0 1 CFAF O=C(CCc1nc2cnccc2[nH]1)Nc1cccc(F)c1 587163967 WKXQPJKYTPMJSU-UHFFFAOYSA-N 284.294 2.668 0 1 CFAF Cc1ccc(NC(=O)C=C2CCN(C#N)C2)cc1Cl 1857606218 VHQWHRUTWDTZDG-UHFFFAOYSA-N 275.739 2.700 0 1 CFAF CC[C@H]1C[N@]1[P@](=O)(c1ccccc1)[N@@]1C[C@H]1CC 1857623023 KAEOCOTWIGBXJT-RXXJBJGQSA-N 264.309 2.693 0 1 CFAF Cc1cccc(Nc2oc3cc(=O)ccc-3cc2C(N)=O)c1 3958452 FHZZIFQRZOJVDG-UHFFFAOYSA-N 294.310 2.896 0 3 CFAF O=C(COC(=O)[C@@H]1C[C@@H]2C=C[C@@H]1C2)Nc1ccccc1F 104103649 GZMPFMLWRQFUSU-IJLUTSLNSA-N 289.306 2.520 0 1 CFAF C[C@H]1C=CC[C@@H]2C(=O)N(c3ccc4c(c3)CCC4)C(=O)[C@H]12 100303063 BJEGRBFBZDGDMR-KNXALSJPSA-N 281.355 2.877 0 1 CFAF COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@@H]1N2C 102142142 QUSLQENMLDRCTO-XGUBFFRZSA-N 277.339 2.565 0 1 CFAF CC[C@@H](N)Cc1cc(OC)c(OC(C)C)cc1OC 29336597 KKDGVJJZQGSVHK-GFCCVEGCSA-N 267.369 2.771 0 1 CFAF Cc1nc(C)c(COC(=O)Cc2ccccc2)nc1C 26263417 BLYTXYSBPXRIOV-UHFFFAOYSA-N 270.332 2.688 0 1 CFAF Nc1nccc2cc(CNCCc3ccncc3)ccc12 66112216 LDJUPDWUACBYOH-UHFFFAOYSA-N 278.359 2.544 0 1 CFAF O=C1CC2(CCCC2)C(=O)N1OCc1ccccc1F 27108727 ZCCRUTRAPYSADG-UHFFFAOYSA-N 277.295 2.577 0 1 CFAF COc1c(Cl)c(O)c(Cl)c2c1C(=O)O[C@@H](C)C2 2356529941 XLNXJYIJFFHPOI-BYPYZUCNSA-N 277.103 2.809 0 1 CFAF COc1c(O)c(OC)c2c3c1CCN[C@@H]3Cc1ccccc1-2 31459343 KKUYSGPGLHCNJX-CYBMUJFWSA-N 297.354 2.819 0 1 CFAF Cc1ccccc1C1=NCCN=C(NC(C)(C)C)C1 36270479 NNPWZJLNORNKQR-UHFFFAOYSA-N 257.381 2.974 0 1 CFAF O=C(O)c1[nH]nc2c1C[C@H](c1c(F)cccc1F)CC2 42922358 INDRAENKCMLXOC-SSDOTTSWSA-N 278.258 2.659 0 1 CFAF O[C@H](c1nc2cccc(Cl)c2[nH]1)C1CCOCC1 586914236 XWRADVQZQRIKBL-LBPRGKRZSA-N 266.728 2.676 0 1 CFAF Cc1c(Cl)ccc2nc(/C=C\S(C)(=O)=O)[nH]c12 586923302 JFSOEUNBTNKQBN-WAYWQWQTSA-N 270.741 2.540 0 1 CFAF Nc1cc(-c2nc3cncc(Cl)c3[nH]2)ccc1F 587139515 MWPYJLQOAVDQGB-UHFFFAOYSA-N 262.675 3.000 0 1 CFAF N=C(N)c1ccc2nc(-c3ccc(O)cc3Cl)[nH]c2c1 587053237 ACHYWRWAUYUTMI-UHFFFAOYSA-N 286.722 2.873 0 1 CFAF COc1cccc([C@H](C)Cc2nc3cc[nH]c(=N)c3[nH]2)c1 587929999 FCMJJZYLQNCITE-SNVBAGLBSA-N 282.347 2.725 0 1 CFAF COC(=O)c1cccc2nc(C[C@@H]3CCC(=O)[C@@H]3C)[nH]c12 587963100 LNGTYROAGNZLHD-ZJUUUORDSA-N 286.331 2.507 0 1 CFAF Cc1cc2[nH]c(-c3cccc(NC(N)=O)c3)nc2c(C)n1 587242581 UWCNFWIBHOFZMS-UHFFFAOYSA-N 281.319 2.732 0 1 CFAF Nc1ncnc2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc12 587966597 JJZZZEKTFYIXHN-UHFFFAOYSA-N 281.363 2.775 0 1 CFAF COc1cc2nc([C@H](N)c3ccsc3)[nH]c2cc1C 587024924 GXOSERVFMCXNPM-CYBMUJFWSA-N 273.361 2.990 0 1 CFAF CC(C)c1nn(C)c2c1[C@H]([C@H]1CCO[C@H](C)C1)NCC2 962920372 RWOHGMHSEYVIPF-WQGACYEGSA-N 277.412 2.545 0 1 CFAF 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CC(C)(C)C(=O)OC[C@H]1C=C(c2ccccc2)C(=O)OC1 64559319 XWHJKEZKXVUPDP-LBPRGKRZSA-N 288.343 2.832 0 1 CFAF COc1cc(NCCCC2OCCO2)c2ncccc2c1 29243234 ZMBXKOWEMLFGLR-UHFFFAOYSA-N 288.347 2.808 0 1 CFAF CO[C@@H]1O[C@@]23C=CC[C@H](C)[C@]2(C)[C@@H](C(=O)CC3)[C@H]1C 2356751439 FVTXNULUHYXYOE-QAIMWQPPSA-N 264.365 2.945 0 1 CFAF Cc1cccc(-c2nnc(-c3cccc(C)c3)n2N)c1 34487468 XBESQYLDQPSZDZ-UHFFFAOYSA-N 264.332 2.943 0 1 CFAF COc1ccc(-c2cn(CCN)c(-c3ccncc3)n2)cc1 36387389 YXWZBGFLUWLQIK-UHFFFAOYSA-N 294.358 2.579 0 3 CFAF C=COCCCNCc1coc(-c2ccccc2)n1 72185481 MCWQZQCTJZMKJP-UHFFFAOYSA-N 258.321 2.981 0 1 CFAF CC(C)(C)c1ccc(-c2cnc(N)nc2)c(F)c1O 224554250 HZEAQWJDJMXGSK-UHFFFAOYSA-N 261.300 2.868 0 1 CFAF C[C@@H]1CN(C(=O)C2CCCCC2)CCN1c1ccccn1 96272428 YRUBDQMFHTUPMZ-CQSZACIVSA-N 287.407 2.699 0 1 CFAF Cc1cccc(CCc2ccnc(NC(N)=O)c2)c1 141272822 LFUXCBXOERBKCB-UHFFFAOYSA-N 255.321 2.666 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccnn1C(C)C)[C@@H](C2)C3=O 587430834 HKHVRVHESBVWAS-YVEFUNNKSA-N 298.342 2.961 0 1 CFAF 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205367851 VSWZYTCVZXXESF-QMMMGPOBSA-N 273.163 2.708 0 1 CFAF COc1ccc([C@@H]2CC(=O)Nc3ccccc32)cc1O 1857544832 HATINIYXTZEYGI-LBPRGKRZSA-N 269.300 2.875 0 1 CFAF C[C@H](Cc1ccccc1)NC[C@@H](N)Cc1ccccc1 28474632 MIYJTSGMYOKUNW-QAPCUYQASA-N 268.404 2.777 0 1 CFAF CCCNC(=O)N1OC[C@@H]2CSc3ccc(F)cc3[C@H]21 58583477 OQGNYBGVLNWSIX-RNCFNFMXSA-N 296.367 2.956 0 1 CFAF O=C1C[C@H](O)C[C@@H](c2ccc(Cl)cc2Cl)O1 27110229 RFPNEFIBBGOWDF-XCBNKYQSSA-N 261.104 2.732 0 1 CFAF Cc1cc(-c2ccccc2)c(=N)n(Cc2cc(O)ns2)n1 100640688 RYFIWEJRWHTFBM-UHFFFAOYSA-N 298.371 2.548 0 1 CFAF CCC(=O)c1c2c(c(C)[nH]c1=O)C[C@H](c1ccncc1)CC2 27181240 WJTKPBYVJSJXJO-CYBMUJFWSA-N 296.370 2.944 0 1 CFAF CC(=O)NCCc1cccc2c1C1=CC=CO[C@H]1C=C2 27298915 WHODINVXYBFXQR-INIZCTEOSA-N 267.328 2.688 0 1 CFAF COC(=O)Nc1cn2cc(C(=O)c3ccccc3)ccc2n1 29322210 DXGHSJGKVQZPHH-UHFFFAOYSA-N 295.298 2.744 0 1 CFAF O=C(Nc1ncc2ccccc2n1)c1cccs1 64708193 DIEJXXZHDKYPSH-UHFFFAOYSA-N 255.302 2.944 0 1 CFAF C[C@@H]1CCCC=C[C@@H]2CCC[C@@H]2[C@H](O)C=CC(=O)O1 2356427527 DDFOHHVPBOQQDW-APIJFGDWSA-N 264.365 2.992 0 1 CFAF Nc1nc(Cc2ccc(O)cc2)cn1Cc1ccc(O)cc1 38228508 RMJPULKXRISLLW-UHFFFAOYSA-N 295.342 2.516 0 1 CFAF Clc1ccc(CCC2(Cn3ccnc3)OCCO2)cc1 36177224 NPIOYRIZNLPLDH-UHFFFAOYSA-N 292.766 2.912 0 1 CFAF in-vivo O=C1Cc2cc(-c3cccc(Cl)c3)ccc2C(=O)N1 653709142 PXNCMGYZAXATGG-UHFFFAOYSA-N 271.703 2.820 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(C[C@@H]4CC[C@H]1CC4=O)[C@@H](C2)C3=O 587447161 MKTVDQMMVLKHBX-FLUIYRIOSA-N 298.338 2.571 0 1 CFAF COC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587802717 UHANKTQZLCNDDP-JMCQJSRRSA-N 288.160 2.810 0 1 CFAF CC(=O)c1ccc2nc(-c3cnc([C@H](C)O)s3)[nH]c2c1 587022745 WRQLFASODHPMAO-QMMMGPOBSA-N 287.344 2.942 0 1 CFAF Oc1nc(O)c2ccc(-c3csc(Cl)c3)nc2n1 587562895 MKNOOWBOOBSFRK-UHFFFAOYSA-N 279.708 2.818 0 1 CFAF COc1nccc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c12 587093240 KOSJZIZZTKDYQQ-WDSKDSINSA-N 257.215 2.632 0 1 CFAF CCn1ncc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C 587391167 LFGKJCNZNAOKHU-QGZVFWFLSA-N 299.374 2.983 0 1 CFAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cnnc(O)c2[nH]1 587932767 ZIAQWSWARWBLFL-QLJPJBMISA-N 296.330 2.512 0 1 CFAF Cc1cccc2nc(CSc3cccc[n+]3[O-])[nH]c12 586970020 RWCRSQPLQREEOU-UHFFFAOYSA-N 271.345 2.797 0 1 CFAF Cc1cc(=NC(=O)Nc2ccnc(Cl)c2)cc[nH]1 1857766564 QBSVEUFIPREFRZ-UHFFFAOYSA-N 262.700 2.504 0 1 CFAF Cc1cc2c(N[C@H]3CC[C@H](N(C)C)CC3)ncnc2[nH]1 1772579367 ORAKDDIOFWZFNF-HAQNSBGRSA-N 273.384 2.551 0 1 CFAF COc1ccc2oc(=O)cc(-c3cccc(C(N)=O)c3)c2c1 1772637352 PJAFIXKXJSIPKF-UHFFFAOYSA-N 295.294 2.568 0 1 CFAF CCN1c2ncccc2-c2nncn2-c2c(C)ccnc21 5841700 IJLAFIJUMFQLLR-UHFFFAOYSA-N 278.319 2.504 0 1 CFAF NC(=O)c1cc2c(Sc3ccccn3)cncc2s1 13862354 PSKMZVNDTWWURQ-UHFFFAOYSA-N 287.369 2.941 0 1 CFAF CC(C)C(=O)Nc1nc(-c2ccncc2)nc2cnccc12 1857546525 KCEUCVPLQWZOKO-UHFFFAOYSA-N 293.330 2.681 0 1 CFAF Nc1nc(-c2cccc3ccccc23)c(Cl)c(=O)[nH]1 3653754 KQTLBSJUSWCDBB-UHFFFAOYSA-N 271.707 2.826 0 1 CFAF CCOc1cc2c(C)[nH]c(=O)c(CC)c2cc1OC 28767380 UKULQGYVBYJIFG-UHFFFAOYSA-N 261.321 2.806 0 1 CFAF O=C1C[C@H](c2ccccc2)Oc2cc(CO)cc(O)c21 2356366146 AZTAQMQWFPLFOG-CQSZACIVSA-N 270.284 2.591 0 1 CFAF CO[C@]12C=C[C@@H](CC1=O)c1c(F)c(F)c(F)c(F)c12 104065581 HTGDEGJCHPJUJS-VPROBKIXSA-N 272.197 2.711 0 1 CFAF CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)[C@@H]2/C=C/CO 58504611 BAROFIYZXNPKFU-GTVOHUDOSA-N 257.377 2.801 0 1 CFAF Cc1n[nH]c2nnc3nc(/C=C\c4ccccc4)[nH]c3c12 103213506 JZZIZMWFNVCOLF-FPLPWBNLSA-N 276.303 2.708 0 1 CFAF COc1ccc2c(c1)[C@@]13CCN(C)[C@H](C2)[C@@H]1C[C@H](C)C(=O)C3 100787928 ZLXURWCZUPCRCD-CTSOBWNQSA-N 299.414 2.808 0 1 CFAF C[C@]12CC[C@@H]3c4cc(N)c(=O)ccc4CC[C@H]3[C@@H]1CC[C@@H]2O 29549002 GRKHJBUJPBFFFV-SSTWWWIQSA-N 299.414 2.846 0 1 CFAF CCCc1nc(C)c2c(C)nn(Cc3ccccc3)c(=O)n12 29463275 DCZYFUGQEIORDZ-UHFFFAOYSA-N 296.374 2.509 0 1 CFAF OCC[C@@]12N[C@@H](Cc3ccccc31)c1ccccc12 27883303 RMUFJRNMXTXAFQ-DLBZAZTESA-N 251.329 2.513 0 1 CFAF c1ccc(Cc2cn(CCCCc3c[nH]cn3)nn2)cc1 66124309 HAVVGSKWBWZXIO-UHFFFAOYSA-N 281.363 2.615 0 1 CFAF CN(C)C[C]1C=CC(O)=C(CCc2ccccc2)N1 2356830662 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CTNCSHKEEQKIDX-HITLURFISA-N 285.387 2.556 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ncccc1OC)[C@@H](C2)C3=O 587436955 WIXDAJLPADYJCM-APPDUMDISA-N 297.310 2.588 0 1 CFAF Oc1ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2c1 586901782 ICRQJXXAJDQSGT-DOMZBBRYSA-N 266.300 2.838 0 1 CFAF Cc1ccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2n1 586908765 UZOFNIIPHXXVGH-JTQLQIEISA-N 281.315 2.847 0 1 CFAF Cc1cncc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c12 586904479 UKLQEIOZYZCAMZ-TZMCWYRMSA-N 265.316 2.835 0 1 CFAF CC[C@H]1OCCC[C@H]1c1nc2ccc(OC)nc2[nH]1 586908173 BXIXZKHNOOMPLV-MWLCHTKSSA-N 261.325 2.639 0 1 CFAF Oc1ncnc2[nH]c(-c3cccc(F)c3C(F)(F)F)nc12 587098849 XRGOAJHQFOUYNN-UHFFFAOYSA-N 298.199 2.883 0 1 CFAF COc1cc(C2(c3nc4cc(=N)[nH]cc4[nH]3)CC2)ccc1C 587927524 QBDAYARAOZTVEJ-UHFFFAOYSA-N 294.358 2.767 0 1 CFAF CN1CCc2cnn(C)c2[C@@]12CCCc1cc(F)ccc12 963953536 ARTHSWPDLHRGLI-KRWDZBQOSA-N 285.366 2.627 0 1 CFAF Nc1nc(O)c2cc(-c3cccc(Cl)c3)[nH]c2n1 1772585112 YRGFIMNIDXRBCT-UHFFFAOYSA-N 260.684 2.566 0 1 CFAF CCc1cc(NCc2nc3c(o2)CCCC3)c(=O)[nH]c1C 5887366 SAGDAHZQCJHXHR-UHFFFAOYSA-N 287.363 2.725 0 1 CFAF O=C(O)c1c(-c2ccccc2)ccc2[n+]1CCCC2 13398887 FTVBYMZJTQJEGA-UHFFFAOYSA-O 254.309 2.676 0 1 CFAF CN[C@H](C)Cc1cc(OC)c(SC)cc1OC 13641784 HSFQBCBKMINXBH-SECBINFHSA-N 255.383 2.576 0 1 CFAF COc1ccc2c(c1O)C[C@@H](c1ccccc1)O[C@H]2CN 13824660 CJSINCRQHDFMNW-HOTGVXAUSA-N 285.343 2.715 0 1 CFAF COc1ccc2c(c1)OC[C@@H](c1ccc(O)cc1O)C2 14811598 IAYVKGXLPAEGDI-NSHDSACASA-N 272.300 2.825 0 1 CFAF C=C/C(C)=C/[C@@]1(C)SC(=O)[C@@H](C(=O)CCC)C1=O 169693628 QVJZZPMYODJJHJ-MXPGDACESA-N 266.362 2.705 0 1 CFAF Nc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1 164774628 FOPVBTQYUQMZRS-UHFFFAOYSA-N 276.303 2.597 0 1 CFAF CCNc1ccc(CCNC(=O)c2ccc(O)cc2)cc1 1857760693 LKGUYGNZYOQIKE-UHFFFAOYSA-N 284.359 2.797 0 1 CFAF CC1=C[C@@H]2OC(=O)[C@H](C)[C@H]2[C@H](O)CC(C)=CCC1 2356457535 TXSIFZZILWRCIY-MQYQWHSLSA-N 250.338 2.602 0 1 CFAF CC(C)C1=C2[C@H](O)[C@](C)(O)CC[C@@H]2[C@](C)(N=S)CC1 2356339853 ZCUIYTSIBRUOPC-SPWCGHHHSA-N 283.437 2.744 0 1 CFAF c1ccc(-c2cc(N3CCCCC3)n3cnnc3n2)cc1 6743026 FJRGQSXZPCBITF-UHFFFAOYSA-N 279.347 2.782 0 1 CFAF CC[C@@H](C)NC(=O)CCC(=O)n1ncc2c(C)cccc21 6750223 ZRQYNPIPJOIILQ-GFCCVEGCSA-N 287.363 2.680 0 1 CFAF Clc1ccc(N2CCn3cnnc32)cc1Cl 101712845 BWMDTCPEMJDWMK-UHFFFAOYSA-N 255.108 2.737 0 1 CFAF CC(=O)c1ccc(NS(C)(=O)=O)c(OC2CCCC2)c1 103275876 HSWJRARMVAAAGK-UHFFFAOYSA-N 297.376 2.582 0 1 CFAF CCC[C@H]1[C@H]2Cc3cccc4c3[C@]1(CCN2C)CO4 101214746 ODTLZTKCGUVCBC-JJRVBVJISA-N 257.377 2.993 0 1 CFAF CCCn1c(C)nc2cc3c(cc21)[C@@H]1CNC[C@@H]3C1 101032609 SPWVDDOSSYRJLM-RYUDHWBXSA-N 255.365 2.929 0 1 CFAF O=C1[C@@H]([C@@H](O)c2ccncc2)CCCN1Cc1ccccc1 103295715 KMPKFMFRUGUIDN-SJORKVTESA-N 296.370 2.554 0 1 CFAF CCN(CC)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3C 118734160 DLOQUEBXYOXDJN-UHFFFAOYSA-N 299.418 2.752 0 1 CFAF CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)CCC(=O)O 60037126 BLILOGGUTRWFNI-QJPTWQEYSA-N 256.342 2.855 0 1 CFAF in-man CO/C(O)=C1\C(C)=NC(C)=C([N+](=O)[O-])[C@H]1c1ccncc1 27561124 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Cn1cnnc1[C@@H]1NCCc2cccc(-c3ccccc3)c21 962668345 NLFPUUHWXQPSNH-QGZVFWFLSA-N 290.370 2.717 0 1 CFAF c1ccc(-c2noc([C@@H]3CN4CCC3CC4)n2)cc1 13860851 FQLSHWHPVFKMSR-CYBMUJFWSA-N 255.321 2.546 0 1 CFAF O=c1[nH]c2cc(F)ccc2n1-c1nc2cccc(F)c2o1 21902 WAEXHEOACCAOSS-UHFFFAOYSA-N 287.225 2.738 0 1 CFAF CCCC(C)(C)c1ccc2oc(N)c(C(N)=O)c(=O)c2c1 103196141 UQFNBJQKTJFBEF-UHFFFAOYSA-N 288.347 2.552 0 1 CFAF Cc1nc2ncnn2c2c1C[C@@H](C)N2Cc1ccccc1F 28022492 LTBACEABSGBZHT-SNVBAGLBSA-N 297.337 2.523 0 1 CFAF O=c1c2c(c3cccnc3n1-c1ccccc1)OCCC2 28762840 IDLRBMKGEPOQTE-UHFFFAOYSA-N 278.311 2.711 0 1 CFAF CC(C)n1cnc2c(NCc3ccccc3N)ncnc21 72109796 PRCDPYMXWVIEOQ-UHFFFAOYSA-N 282.351 2.602 0 1 CFAF CS(=O)(=O)c1cnc2c(c1)CC[C@H](c1ccccc1)O2 29342163 AWCZUACANNUUIL-CQSZACIVSA-N 289.356 2.551 0 1 CFAF C[C@]1(C(F)(F)F)OC(=O)N(C2CCCCC2)C1=O 26502030 DWWPBAMWRLMDDY-JTQLQIEISA-N 265.231 2.619 0 1 CFAF CC(=CCO)CCC[C@@](C)(O)CCCC(C)(C)O 2356724896 CLCHLTGVDVMBRQ-OAHLLOKOSA-N 258.402 2.788 0 1 CFAF CC(C)=CCc1cc2oc(=O)ccc2c(C=O)c1O 2356821362 FZWDRROWBUUROU-UHFFFAOYSA-N 258.273 2.820 0 1 CFAF c1ccc(-n2nnc(-c3cnc4ccccc4c3)n2)cc1 64479706 XKFISZJYSOEPLJ-UHFFFAOYSA-N 273.299 2.878 0 1 CFAF CC(C)Cc1ccc([C@@H](C)C(=O)OCC(=O)N(C)C)cc1 72179531 SQPUFWVYSUEKFB-CYBMUJFWSA-N 291.391 2.620 0 1 CFAF CC(C)CN(C(=O)c1cccc(Cl)c1)[C@H]1CCNC1 34457257 CMNJEKBHBKVRME-AWEZNQCLSA-N 280.799 2.800 0 1 CFAF in-vitro CNc1ccc(C(=O)Oc2cncc(Cl)c2)cc1 40876151 UYQUSBCASTURRZ-UHFFFAOYSA-N 262.696 2.996 0 1 CFAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1OC[C@@H]2O 40477010 JHBGIEZIDJQZJI-QUSNUVHPSA-N 274.360 2.598 0 1 CFAF CS(=O)(=O)c1ccccc1-c1ccccc1F 144607606 HGHZYAMIMVRIIK-UHFFFAOYSA-N 250.294 2.896 0 1 CFAF NC1=N[C@@H](CCc2cc(Cl)ccc2Cl)CO1 148516649 XPHDELBLUKRTMR-VIFPVBQESA-N 259.136 2.640 0 1 CFAF CC(=O)O[C@H]1CC[C@@](C)([C@@H]2C=C[C@](C)(O)CC2)OC1(C)C 238762321 WJWZGGQNMPMICF-OHFALNGGSA-N 296.407 2.983 0 1 CFAF COc1cc(C=O)c(OCc2cccc3ocnc23)cn1 145952026 LVZQEZRZGIBWOY-UHFFFAOYSA-N 284.271 2.623 0 1 CFAF CC(C)N1O[C@@H]2Cn3c(nc4ccccc43)[C@@H]1[C@H]2C 253928453 JAQMTOUTIIMMFO-GDLCADMTSA-N 257.337 2.751 0 3 CFAF CCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 299823162 DMJQMYMZDKDHLT-YLFCFFPRSA-N 260.425 2.901 0 1 CFAF COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccn1 587393327 GDPHCPUVHYYEOX-QGZVFWFLSA-N 298.342 2.861 0 1 CFAF O=C(O)Cc1ccc2c(=O)c3ccccc3oc2c1 196910761 SUPAWMOOSGYVIR-UHFFFAOYSA-N 254.241 2.573 0 1 CFAF COc1ccc([C@H]2OC(c3ccccc3)=NN2C(C)=O)cc1 15785622 NKZWLJVWLPEUEC-QGZVFWFLSA-N 296.326 2.934 0 1 CFAF COC(=O)/C(C)=C/[C@H](C)C[C@@H](C)C[C@@](C)(O)C[C@@H](C)O 169358055 IQQFJADQXWBZGX-UACBUERMSA-N 286.412 2.680 0 1 CFAF O=C(O)C1=CC=C(COc2ccc3ccc(=O)oc3c2)C1 1857649078 XZZOYPXMPYWJPP-UHFFFAOYSA-N 284.267 2.513 0 1 CFAF Nn1c(S[C@@H]2CCCCC2=O)nnc1C1CCCCC1 3338068 UWQFWNXFPDQXPZ-GFCCVEGCSA-N 294.424 2.643 0 1 CFAF CNc1cc2c(Nc3ccccc3)ncnc2cn1 21289320 VUQQZAQCQFIXAH-UHFFFAOYSA-N 251.293 2.810 0 1 CFAF CC(C=CC(N)=O)=C[C@H](C)C(=O)c1ccc(N(C)C)cc1 2356413154 PCIMEOIYJHGTNG-ZDUSSCGKSA-N 286.375 2.559 0 1 CFAF C[C@@H](C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C)c1ccccc1 101805346 ABQUDUAAINLKTQ-SNPRPXQTSA-N 273.376 2.959 0 1 CFAF Cc1cccc(Cl)c1N(CC1CC1)C1=NCCN1 28228027 YBDFQGCBOWSNIJ-UHFFFAOYSA-N 263.772 2.824 0 1 CFAF FC(F)(F)c1ccc2c(c1)C[C@]1(CC2)CN=CN1 27329784 LFCQTNNCIIEJOC-GFCCVEGCSA-N 254.255 2.564 0 1 CFAF COC(=O)C1=CC[C@@H]([C@](C)(O)CC(=O)CC(C)C)CC1 2356691539 NXVYWHPRUJVWDG-CZUORRHYSA-N 282.380 2.642 0 1 CFAF Oc1nc2nonc2nc1Nc1cccc2ccccc12 145425143 CLTRKJCXNBLJOU-UHFFFAOYSA-N 279.259 2.615 0 1 CFAF CC(=O)c1cccc(-c2ccc3c(N)nc(N)nc3c2)c1 72114148 BGVUMMFSZABYHW-UHFFFAOYSA-N 278.315 2.664 0 1 CFAF C/C(=C/CCOS(=O)(=O)O)CCCC(C)C 85643557 POHVULGNUPOWIQ-FLIBITNWSA-N 250.360 2.969 0 1 CFAF CN(CCC(=O)c1ccccn1)Cc1ccccc1 45367198 HYNNTZYWKSJTNS-UHFFFAOYSA-N 254.333 2.786 0 1 CFAF O=S(=O)(CCC(F)=C(F)F)c1nc2ccccc2[nH]1 299857613 FQMPNYGZZZBZNY-UHFFFAOYSA-N 290.266 2.804 0 1 CFAF COC(=O)c1cccc2nc(-c3cccc(CO)c3)[nH]c12 586895210 VCENOBVKMZBEGX-UHFFFAOYSA-N 282.299 2.509 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1c(C)n[nH]c1C)[C@@H](C2)C3=O 587441344 SKHCSLQZBIWUAG-MEDUHNTESA-N 284.315 2.524 0 1 CFAF c1ncc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2n1 586892076 TWDJTXZJPJAYNW-ZVXAKGHKSA-N 254.337 2.821 0 1 CFAF COc1cc2c3c(c1)O[C@@](CC(C)C)(C(C)=O)[C@@H](C2)C3=O 587441540 HJRRPGUFZSGJJK-GUYCJALGSA-N 288.343 2.817 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C=O)ccc1O)O2 587403869 MALBQTKAWKKCKM-INIZCTEOSA-N 297.310 2.802 0 1 CFAF COC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521891 FGOMVIYGNRBOHW-QGZVFWFLSA-N 288.343 2.852 0 1 CFAF CCc1sc2ncnc(N[C@@H](C)C(=O)O)c2c1CC 1857611283 IFPPLDHQMXCVAD-ZETCQYMHSA-N 279.365 2.701 0 1 CFAF Cn1nc(-c2ccccc2)cc1Cc1cncc(O)c1 1857765137 GGCDWSJYRSGYOJ-UHFFFAOYSA-N 265.316 2.779 0 1 CFAF CCCN(CCC)[C@@H]1Cc2cccc3c2N(C1)C(=O)NC3 13452320 GZQMSNKBMQEZJK-OAHLLOKOSA-N 287.407 2.763 0 1 CFAF CCn1cnc(CN2CCN(c3ccccc3)C2=O)c1C 13765803 DXUXVGGJXKCFED-UHFFFAOYSA-N 284.363 2.654 0 1 CFAF CCC(CC)Oc1cc(C(=O)O)ccc1NC(C)=O 14944964 JHIRZLCUYQGGJI-UHFFFAOYSA-N 265.309 2.911 0 1 CFAF c1coc(CN=c2[nH]c3ccccc3n2C[C@H]2CCCO2)c1 1857617801 PULPFDZUVGFUEF-CQSZACIVSA-N 297.358 2.842 0 1 CFAF CN(C)C1(c2ccc(F)cc2)CCC2(CC1)OCCO2 27427020 FEROEIYATYKWOB-UHFFFAOYSA-N 279.355 2.900 0 1 CFAF O=C(NC(=O)N1CCCc2ccccc21)c1ccccc1 2725237 SCSJKQDOFMUUTI-UHFFFAOYSA-N 280.327 2.989 0 3 CFAF CCOC(=O)C1=C(O)/C(=C\c2cccc(O)c2)N=C1C 103540406 IDDJKHULLXYHRW-XYOKQWHBSA-N 273.288 2.583 0 1 CFAF CCCN1CCC[C@@H]2c3nc(N)sc3CC[C@H]21 58608665 YZXHGMLAVBMVDU-VHSXEESVSA-N 251.399 2.630 0 1 CFAF Cc1nc2c(OCc3ccc(F)cc3)cccn2c1N 26174735 WGFIJGOSXKWFGN-UHFFFAOYSA-N 271.295 2.943 0 1 CFAF Nc1ccc2oc(-c3ccc(F)cc3)c(O)c(=O)c2c1 58563866 XCDFZGZQEIKMLS-UHFFFAOYSA-N 271.247 2.887 0 1 CFAF CCC[C@@H](O)CC(=O)CCc1ccc(O)c(OCC)c1 1911582177 KVAGNQVSURDTBB-CYBMUJFWSA-N 280.364 2.844 0 1 CFAF Cc1cc(C)c2c(=O)n(CCN3CCCC3)sc2c1 29402193 GVVCDNFQJSVYOL-UHFFFAOYSA-N 276.405 2.776 0 1 CFAF CCCCCCN1CC(=O)N(C)c2ccccc2C1=O 28818457 PNIYIBKNRCSSCK-UHFFFAOYSA-N 274.364 2.686 0 1 CFAF COP(=O)(OC)[C@H](C)NC(=O)OCc1ccccc1 35654733 ZSMIGAVXKKRMRJ-SNVBAGLBSA-N 287.252 2.745 0 3 CFAF COc1ccc(F)cc1CC[C@@H]1CC[C@H](CCN)O1 35875087 FOEJRTWJHDIANT-ZIAGYGMSSA-N 267.344 2.663 0 1 CFAF in-vitro CCCCNC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82086301 JDKNQPCFAUZWQV-UHFFFAOYSA-N 288.303 2.600 0 1 CFAF COc1ccc([C@H]2C[C@H](O)[C@@H](CC(C)C)CN2)cc1OC 40829079 GWFDJRQWEMAOSK-ZNMIVQPWSA-N 293.407 2.761 0 1 CFAF CN(CCO)C(=O)c1coc(-c2ccc3ccccc3c2)n1 82085680 WMPBXFXHDCVFES-UHFFFAOYSA-N 296.326 2.559 0 1 CFAF COc1ccc(-c2cc3n(C)cccc-3c(=O)n2)cc1 146078738 OYPDDVYYCMBOAU-UHFFFAOYSA-N 266.300 2.561 0 1 CFAF Oc1ccc(CCN2CCc3cc(O)ccc3C2)cc1 95553767 PBQKQGNURXANPO-UHFFFAOYSA-N 269.344 2.699 0 1 CFAF COc1ccc(CC(=O)n2sc3ccccc3c2=O)cc1 299830970 ZKIZFBPVPUITFA-UHFFFAOYSA-N 299.351 2.955 0 1 CFAF c1csc(CN2C[C@H](n3cccn3)[C@H]3OCCC[C@H]32)c1 299841948 FPYGAIBNXXTHAU-ILXRZTDVSA-N 289.404 2.549 0 1 CFAF c1ccc2c(c1)CC[C@@]21C[C@H]1c1nc2cnncc2[nH]1 586892992 YTWTZGQPTANBRE-BLLLJJGKSA-N 262.316 2.724 0 1 CFAF 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286.371 2.790 0 1 CFAF CC[C@@H](O)CNc1cc2c3c(cccc3c1)C(=O)N2 1857572153 DVQNIUTWDCFRDD-LLVKDONJSA-N 256.305 2.588 0 1 CFAF O=C(CSc1n[nH]c2c3ccccc3nc-2n1)C1CC1 104087483 QSIVFHNSOREZOM-UHFFFAOYSA-N 284.344 2.529 0 1 CFAF CN1C(=N)N(C)/C(=C/c2c[nH]c3cc(Cl)ccc23)C1=O 53296520 OWSPGYUZLNMBSL-ZSUDRMHPSA-N 288.738 2.501 0 1 CFAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)NCC[C@@]43C)[C@H]1CC[C@@H]2O 29417184 HSMQDJJGFZMMRG-NVIFIOQXSA-N 291.435 2.726 0 1 CFAF O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccc(S)cc1 103213005 IBIAKHLCUNGCGL-TXFQPVFDSA-N 285.368 2.677 0 1 CFAF CCCCCC[C@@H]([C@@H](C)O)n1cnc(C(=O)OCC)c1N 28219139 CFAYCGHJRJDIKW-NEPJUHHUSA-N 297.399 2.534 0 1 CFAF CC(C)[C@@H]1SC(Nc2ccccc2F)=NC1=O 28826725 OJJBBNIYQKFZDK-JTQLQIEISA-N 252.314 2.892 0 1 CFAF CCOC(=O)[C@H]1Cc2c(sc3ccccc23)CN1C 26832480 VDEGSCDQEWFPSL-GFCCVEGCSA-N 275.373 2.821 0 1 CFAF Cc1ccc(C(=O)N[C@H]2CCC[C@H]3CN(C)CC[C@H]23)cc1 26187358 XSTDZAMTGIEXQR-ULQDDVLXSA-N 286.419 2.845 0 1 CFAF Nc1cc(-c2ccccc2)nc2c(Br)cnn12 28959042 KZBYHVHAUOAPIJ-UHFFFAOYSA-N 289.136 2.741 0 1 CFAF O=C1CCOc2nc(COc3ccccc3)ccc21 66080601 RDTNMKBRGQQHLS-UHFFFAOYSA-N 255.273 2.626 0 1 CFAF COc1ccc(Cn2nncc2Cc2ccccc2)cc1 73137847 SXMJWXDOXXGVPH-UHFFFAOYSA-N 279.343 2.926 0 1 CFAF CN(C)C(=O)c1cc(O)ccc1/C=C/c1ccc(O)cc1 49050404 NNIIEHRWMGMHHV-ZZXKWVIFSA-N 283.327 2.970 0 1 CFAF CN1CCC[C@H]1COC(=O)c1coc(-c2cccs2)n1 82086417 BNBIUECLVIWJBS-JTQLQIEISA-N 292.360 2.654 0 1 CFAF O[C@@]12[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@H]([C@@H]3[C@H]5[C@@H]4[C@H]31)N2Cc1cccc(Cl)c1 261160399 QSSZMHMBGVJKCS-RDZGJIMISA-N 299.801 2.601 0 1 CFAF O=C(CCc1cc(F)ccc1F)c1c(O)cc(O)cc1O 653838784 JYUJALFCLYHMGH-UHFFFAOYSA-N 294.253 2.897 0 1 CFAF CCOCCOCc1nc2cccc(Br)c2[nH]1 587778284 JHZDYBGCNZVKNP-UHFFFAOYSA-N 299.168 2.879 0 1 CFAF CN[C@H](c1cccnc1)c1nc2c(C)ccc(C)c2[nH]1 587225534 XOGUSWUMWNOJQX-OAHLLOKOSA-N 266.348 2.884 0 1 CFAF CC[C@@H]1OCCC[C@@H]1c1nc2ccc(C(=O)O)cc2[nH]1 586913750 SDCYTJDOSUBEKJ-GWCFXTLKSA-N 274.320 2.934 0 1 CFAF 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CN1CC2(CCN(c3cncc4ccccc34)CC2)CC1=O 1772655594 QYQQAZRYPIKPEC-UHFFFAOYSA-N 295.386 2.684 0 1 CFAF CCCCCCNc1nc(C)cc(NCCN(C)C)n1 1772602351 ZWDVYAZGJHLPNO-UHFFFAOYSA-N 279.432 2.751 0 1 CFAF COc1ccccc1-n1c(O)cc2ccccc2c1=O 169691112 BLMGSTAPRFHRBJ-UHFFFAOYSA-N 267.284 2.705 0 1 CFAF Cc1cnc(NC(=O)CCCOc2cccc(N)c2)s1 1857588166 SOTLMSCXGWXEGA-UHFFFAOYSA-N 291.376 2.831 0 1 CFAF C[C@@]1(NC#N)CCc2ccc(-c3nc[nH]c4nccc3-4)cc21 1857652834 PTCVBQDKOCSZKC-QGZVFWFLSA-N 289.342 2.809 0 1 CFAF CCC(=O)c1ccccc1OC[C@@H](O)CN1CCCCC1 13529171 PWRSYYZDBDKVDF-AWEZNQCLSA-N 291.391 2.505 0 1 CFAF N#Cc1ccc(C(=O)Nc2ccc([C@H]3CCNC3)cc2)cc1 117719309 LZUKBOSABJKGCG-INIZCTEOSA-N 291.354 2.887 0 1 CFAF C[C@H]1CCCC[C@@H]1Nc1nc2ccccc2n2nnnc12 6752103 JLPJQNIJELYAMQ-QWRGUYRKSA-N 282.351 2.663 0 1 CFAF CCc1ccc([C@H]2C[C@H]3CC[C@@H](N3)[C@H]2C(=O)OC)cc1 100949829 VQVUZWDWIQWSQU-FPCVCCKLSA-N 273.376 2.646 0 1 CFAF O=C(O)C[C@@]12N[C@](Cl)(Cc3ccccc31)c1ccccc12 100649250 CBSZYTKTSSEDCP-IAGOWNOFSA-N 299.757 2.956 0 1 CFAF COC(=O)c1ccc2c(c1)nc(CCc1ccccn1)n2C 53298027 RUQSOFZYTJUMQK-UHFFFAOYSA-N 295.342 2.540 0 1 CFAF COc1ccccc1-c1ccccc1N1CCNCC1 59938805 SGLRJKLZBKJIEM-UHFFFAOYSA-N 268.360 2.772 0 1 CFAF CCOC(=O)C(=O)CCCCCOc1ccccc1 115388152 MDLIBYSQRKSOHJ-UHFFFAOYSA-N 264.321 2.758 0 1 CFAF Cc1ccc2c(NN)c(Cc3ccccc3)cnc2n1 28523445 DJJCXLWOUHOPRW-UHFFFAOYSA-N 264.332 2.815 0 1 CFAF CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cn[nH]c3)c2C1 29054342 VWGDKTMNUZJXMJ-SECBINFHSA-N 288.351 2.801 0 1 CFAF CCCN1CCC=C2c3c(OC)cccc3OC[C@H]21 27849116 DUCWFBXYQNVRNF-CYBMUJFWSA-N 259.349 2.955 0 1 CFAF CCNC(=O)Nc1ccc(-c2cccc(C(=O)O)c2)cn1 116503234 KKBKOTSSUJZSAO-UHFFFAOYSA-N 285.303 2.588 0 1 CFAF CCO[C@H](C)c1c(OC)cc2c(c1O)C(=O)CC[C@@H]2O 2356596481 LZCGYNOACMSXSZ-SCZZXKLOSA-N 280.320 2.508 0 1 CFAF CC1=CN2[CH]C=CC=C2N1CC(=O)c1ccccc1 2356827539 CAKKRYREJITBIH-UHFFFAOYSA-N 251.309 2.921 0 1 CFAF CC[C@]1(CC(=O)O)OCCc2c1[nH]c1ccc(F)cc21 39198729 PMKQPJYIXMBXBS-OAHLLOKOSA-N 277.295 2.960 0 1 CFAF CCNC(=O)Nc1cc2[nH]nc(-c3ccc(F)cc3)c2cn1 219770878 CHIXFCHKXIZNBF-UHFFFAOYSA-N 299.309 2.905 0 1 CFAF Cc1cc(=O)n(-c2ccccc2)n1CC(F)(F)F 72107156 TYHDCVWXZGPJSN-UHFFFAOYSA-N 256.227 2.510 0 1 CFAF COC(=O)C/C=C1\c2ccc(OC)cc2[C@@H](OC)[C@H]1C 72139500 LEYPXOBPYVCVHC-VJJLZIABSA-N 276.332 2.979 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)n[nH]c1C)O2 587395301 ASDBMOOMWZKKQB-MRXNPFEDSA-N 285.347 2.798 0 1 CFAF O=C1CCC[C@H](c2nc3cc4c(cc3[nH]2)OCCO4)CC1 586888620 WWQCSGOEENKURP-JTQLQIEISA-N 286.331 2.951 0 1 CFAF CNc1c(F)cccc1-c1nc2cccc(C(N)=O)c2[nH]1 587136392 ZONRXJWBCWNGGQ-UHFFFAOYSA-N 284.294 2.510 0 1 CFAF C=CC(=O)Nc1ccc(-c2nc3c(OC)cncc3[nH]2)cc1 587243696 KDRYGGCZNLRDJF-UHFFFAOYSA-N 294.314 2.758 0 1 CFAF CC(=O)Nc1cccc(Cc2nc3ccc(CO)cc3[nH]2)c1 587242912 YSRBICCVZMVQFC-UHFFFAOYSA-N 295.342 2.604 0 1 CFAF Cn1ncc2c1CCc1c-2nc2cccc3c2c1CC3 587210703 DXBFQKSFLDFROG-UHFFFAOYSA-N 261.328 2.833 0 1 CFAF Nc1cc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)ccc1F 587139683 PZERFPCTEXCTGH-ZDUSSCGKSA-N 285.282 2.675 0 1 CFAF CCC1(CC)NC(=S)N(c2ccccc2F)N1 1772621749 UDFAUYIQKKCDBK-UHFFFAOYSA-N 253.346 2.541 0 1 CFAF NCCc1c[nH]c2ccc(-c3nc(C4CC4)no3)cc12 13827453 LSUAPUGYEULDQN-UHFFFAOYSA-N 268.320 2.597 0 1 CFAF N[C@@H](Cc1ccc(Cl)c(-c2ccc(O)cc2)c1)C(=O)O 1857753919 JNXIUXUPMAXNLL-AWEZNQCLSA-N 291.734 2.667 0 1 CFAF CCN(CC)CCOC[C@H]1CCCN2CCCC[C@@H]12 1650228 NVHIJVKEEILZGK-CVEARBPZSA-N 268.445 2.609 0 1 CFAF CCCC(=O)Nc1nn2c(-c3cccs3)nnc2s1 6818176 DFEBBVDWKPCKON-UHFFFAOYSA-N 293.377 2.653 0 1 CFAF CN1[C@H]2CC[C@H]1CC(NC(=O)n1ccc3ccccc31)C2 101513252 NIFHKFMTUGWEOO-GJZGRUSLSA-N 283.375 2.824 0 1 CFAF Cn1c(C(=O)Cc2cccnc2)cc2ccccc21 66078094 IKLUSEPEMWUGHY-UHFFFAOYSA-N 250.301 2.999 0 1 CFAF C[C@@]1(c2ccc(F)cc2)NCCc2cc(O)ccc21 2356723904 WQMKLDCZRUHUGM-INIZCTEOSA-N 257.308 2.941 0 1 CFAF CN1c2ccc(Cc3ccccc3)cc2C[C@H]1C1=NCCN1 29339868 MOWFPZYDKQXMAE-SFHVURJKSA-N 291.398 2.640 0 1 CFAF COc1ccc([C@@H]2C[C@H](O)[C@@H](CC(C)C)CN2)cc1OC 40829075 GWFDJRQWEMAOSK-KKUMJFAQSA-N 293.407 2.761 0 1 CFAF COc1ccccc1C1=NO[C@H](Cc2ccccc2)O1 95583655 ARFUCNADGLSQKO-OAHLLOKOSA-N 269.300 2.972 0 1 CFAF COc1nc2c3c(nccc3c1O)-c1ccccc1-2 238783384 JZRJCWSSLJWQAW-UHFFFAOYSA-N 250.257 2.991 0 1 CFAF CCCC[C@@H](c1ccccc1OC)S(=O)(=O)N(C)C 230514893 CLRVIQDTPIPZGP-AWEZNQCLSA-N 285.409 2.818 0 3 CFAF CN[C@H](c1cccnc1)c1nc2cc(C)c(F)cc2[nH]1 587222251 IYKZIBGTJQXRRP-CQSZACIVSA-N 270.311 2.714 0 1 CFAF CC(=O)c1ccc2nc(-c3c(N)cccc3C(=O)O)[nH]c2c1 587248824 XHPPQBOUOMECMM-UHFFFAOYSA-N 295.298 2.713 0 1 CFAF COc1ccc(O)n1-c1cccc(Br)c1N 587937795 YNXPOHJCWNYDPT-UHFFFAOYSA-N 283.125 2.536 0 1 CFAF N=C(N)c1ccc2nc(CCOCc3ccccc3)[nH]c2c1 587566240 BUGFNGZSKQKHIX-UHFFFAOYSA-N 294.358 2.606 0 1 CFAF COc1ccnc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587393269 DNQOCCBSIIPRDJ-OAHLLOKOSA-N 284.315 2.687 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C=O)n(C)c1)O2 587389480 IEJRAQWDXMOAPD-KRWDZBQOSA-N 298.342 2.609 0 1 CFAF CCOCc1ccc(-c2nc3cnc(OC)cc3[nH]2)o1 586903650 SBNAGKDSNGIAKS-UHFFFAOYSA-N 273.292 2.763 0 1 CFAF Oc1nc(O)c2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2n1 587969084 YUNBDMFZSVUXMC-UHFFFAOYSA-N 298.346 2.604 0 1 CFAF Cc1c(O)cc2occ(Cc3ccc(O)cc3)c(=O)c2c1O 13327563 FRTIRJDNPYMRGE-UHFFFAOYSA-N 298.294 2.809 0 1 CFAF Cc1ccc(CN[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 19210416 PWRUUSSQSQZZHX-NVXWUHKLSA-N 286.375 2.639 0 1 CFAF CC[C@@H](C)C(=O)Oc1c(OC)cc(/C=C/CO)cc1OC 206952726 YARZERWURXDEBP-XUIVZRPNSA-N 294.347 2.661 0 1 CFAF Cc1ccccc1OCC(=O)Nc1ccc2cn(C)nc2c1 1857544574 IOOZUVLCPAYWFT-UHFFFAOYSA-N 295.342 2.899 0 1 CFAF CCCCCCc1c(O)noc1C1CCNCC1 13473968 MDJPHLITHYEDKB-UHFFFAOYSA-N 252.358 2.970 0 1 CFAF COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@H](NCC3)C2=O 13532255 HPLRGHPULWMCLT-JLJPHGGASA-N 271.360 2.681 0 1 CFAF Sc1ncn(Cc2ccc(Cl)c(Cl)c2)n1 584613472 JYNYIPSHKRSPKQ-UHFFFAOYSA-N 260.149 2.922 0 1 CFAF Cc1ccc(C)c(NC(=O)CCc2n[nH]c(=S)o2)c1 6486896 PVVJHSULBFZEOP-UHFFFAOYSA-N 277.349 2.920 0 1 CFAF Cc1nc(NCCc2ccccc2)nc(C(F)(F)F)n1 103282881 HNIJHANKYXDLPT-UHFFFAOYSA-N 282.269 2.853 0 1 CFAF CC[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1cccc(F)c1 2356300133 BBTJFAIHXNBDPP-XEZPLFJOSA-N 290.382 2.676 0 1 CFAF CO/C(O)=C1/C(C)=NC(=S)N[C@H]1/C=C/c1ccccc1 103346867 WJZVIZSWRZBRTF-GUDUMBNESA-N 288.372 2.833 0 1 CFAF O=P(O)(O)CCCCc1c[nH]c2ccccc12 26398360 LXRYYFNOXQQIKW-UHFFFAOYSA-N 253.238 2.668 0 1 CFAF CCC(=O)N1N=C(c2ccccc2)NN=C1c1ccccc1 28473476 WSUDOHGQNAWKGQ-UHFFFAOYSA-N 292.342 2.552 0 1 CFAF CC=C1[C@H]2CCN3C[C@]4(c5ccccc5N(C(C)=O)[C@H]4C2)[C@@H]13 2356519742 OFTFANZUEOWVIA-NOENWEJRSA-N 294.398 2.714 0 1 CFAF Oc1ccc(C[C@H]2CNCCN2CC2CCCCC2)cc1 61711177 ODTZNNLUNFYDMG-KRWDZBQOSA-N 288.435 2.789 0 3 CFAF Cn1nc(-c2ccccc2)c2cc(N3CCNCC3)ccc21 72179084 HYGILQXDORUGNM-UHFFFAOYSA-N 292.386 2.650 0 1 CFAF CC(C)(C)c1cc2nn(-c3ccccc3)c(N)c2c(=O)[nH]1 72106465 LWGCHSUJPQDTPK-UHFFFAOYSA-N 282.347 2.594 0 1 CFAF COc1ccc(CN(C)Cc2ccccc2CNC=O)cc1 71341765 RCJZQPVDQHBVLA-UHFFFAOYSA-N 298.386 2.573 0 1 CFAF CCSc1nc(SCc2ccccc2)nc(=O)[nH]1 72122912 DVMUNRCJIGJKOU-UHFFFAOYSA-N 279.390 2.569 0 1 CFAF CC[C@@H]1CC(=O)C[C@]23CCN(C)[C@H](Cc4ccc(O)cc42)[C@@H]13 40843980 SZIGYSMMOMTFKG-HAFFEQERSA-N 299.414 2.896 0 1 CFAF CC1=CC=CN2C[C@H](C(=O)c3ccccc3)CN=C12 43063431 AVFRYAJAXHYRRP-CQSZACIVSA-N 252.317 2.673 0 1 CFAF Cc1oc2ccc3c(C)cc(=O)n(CC(=O)O)c3c2c1C 40980339 MHSWHWZNKRMRIS-UHFFFAOYSA-N 285.299 2.758 0 1 CFAF CCN(C)[C@@H]1CCN(c2ccc(-c3ccccc3)nn2)C1 45368328 KAFIPYYSYKUDKA-OAHLLOKOSA-N 282.391 2.674 0 1 CFAF CCCC[n+]1cccc2c1CC[C@@H]1[C@@H](O)CCC[C@H]21 40447492 AMVOCAFZNUMROI-KMFMINBZSA-N 260.401 2.965 0 1 CFAF COc1ccc(/C=C/c2cc(=O)cco2)cc1OC 84725859 AAMHTOQXZSDWTN-HWKANZROSA-N 258.273 2.827 0 1 CFAF Cn1ccc2ccc(O)c(-c3cc4c(cc3CO)OCO4)c21 238731357 HGCJOEXPTYHGLS-UHFFFAOYSA-N 297.310 2.772 0 1 CFAF NC(=O)c1cc(-c2cc3c4c(cccc4n2)CC3)ccc1O 587211382 QFXGWESCCBNXPY-UHFFFAOYSA-N 290.322 2.805 0 1 CFAF CCCn1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587432963 TYBDEJQACQGDSB-PXAZEXFGSA-N 298.342 2.790 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)OC(C)C)O2 587399220 HBNBVQSGKVWLSZ-INIZCTEOSA-N 291.347 2.643 0 1 CFAF CC(C)(CO)[C@@H](O)c1nc2ccc(C(F)(F)F)cc2[nH]1 586900542 GLLVDMHWWGWQLW-JTQLQIEISA-N 288.269 2.634 0 1 CFAF CCc1ccc(C(=O)CCc2nc3cc[nH]c(=N)c3[nH]2)cc1 587956999 OYPPICALRKSTOQ-UHFFFAOYSA-N 294.358 2.748 0 1 CFAF Cc1ccn(CC(=O)n2nc3cc2Oc2ccc(F)cc2-3)n1 587874778 BOWPHJRNJOMYHJ-UHFFFAOYSA-N 298.277 2.640 0 1 CFAF CC[C@@]1(C)C[C@@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586885900 AIIWHTPLUGMEMN-YGRLFVJLSA-N 278.377 2.870 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1ccn(C)c1)[C@@H](C2)C3=O 587430946 LFSUQPVPTNRPOO-GUYCJALGSA-N 283.327 2.697 0 1 CFAF COc1ccc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2n1 587968312 ACRWCVUVSMOMNQ-UVAGUKSRSA-N 297.358 2.613 0 1 CFAF CCCC/C=C/c1nc2c(C(=O)OC)ccnc2[nH]1 587965936 QJRDETSONFBURL-VOTSOKGWSA-N 259.309 2.948 0 1 CFAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(C(C)C)CC2=O 587490232 QYVLGUHWKWQLRR-MRXNPFEDSA-N 292.331 2.789 0 1 CFAF CC(=O)NC1(c2nc3c(C)nccc3[nH]2)CCC(C)CC1 587234557 PAVJYYKIMAEMKL-UHFFFAOYSA-N 286.379 2.808 0 1 CFAF Cc1c(-c2ccccc2)cnn1-c1cc(C(=O)O)ccn1 146677222 DYVKRSMFVROHFY-UHFFFAOYSA-N 279.299 2.941 0 1 CFAF CN(C)[C@@H](c1cccc(Cl)c1)C1COCOC1 169322963 ASAQUUOIWABVGL-ZDUSSCGKSA-N 255.745 2.563 0 1 CFAF Cc1ccc2c(c1)[C@H]1CN(CCCN(C)C)CC[C@H]1N2 169331905 UKBQVHXNIYGVFM-NVXWUHKLSA-N 273.424 2.530 0 1 CFAF O=C(Nc1ccc(Cl)cc1)Nc1nc(O)c2n1CCC2 169719165 MIKWIZIPMBUMOI-UHFFFAOYSA-N 292.726 2.832 0 1 CFAF O=C1C=C(Cl)[C@](O)(c2ccccc2)N1C1CCCC1 206747576 HCSGUYFFJYRNQY-OAHLLOKOSA-N 277.751 2.739 0 1 CFAF FCc1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cc1 205602682 JAGLBDLYYJYLOE-INIZCTEOSA-N 286.354 2.681 0 1 CFAF CSC[C@@H]1CN(C)[C@H]2Cc3c[nH]c4cccc(c34)[C@H]2O1 1857603893 GYUHVILBXXBZDS-HZUKXOBISA-N 288.416 2.827 0 1 CFAF C[C@H]1CCCc2c(-c3ccc(O)cc3)nc(=N)[nH]c21 1857604449 FFOQSPWUHUXUCT-VIFPVBQESA-N 255.321 2.702 0 1 CFAF O=C(O)C(=O)CC(=O)c1ccc(C2CCCCC2)cc1 13493869 OYJDENWYBFBARN-UHFFFAOYSA-N 274.316 2.961 0 1 CFAF COc1cc(O)cc2nc(-c3ccc(O)cc3)oc12 13583638 RJJQKEPGOIGNSZ-UHFFFAOYSA-N 257.245 2.915 0 1 CFAF O=C1NCCn2c(CCc3ccccc3)nc3cccc1c32 3817197 KYJSWIHLMFXRJY-UHFFFAOYSA-N 291.354 2.565 0 1 CFAF CCc1c(C)nc2c(-c3ccccc3)c(C)[nH]n2c1=O 103921601 TWBALWJAFBKKCJ-UHFFFAOYSA-N 267.332 2.869 0 3 CFAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@H]1c1ccc(F)cc1)N2C 26500705 QUSLQENMLDRCTO-QPSCCSFWSA-N 277.339 2.565 0 1 CFAF COC(=O)[C@H]1[C@@H](c2ccc(F)c(C)c2)C[C@@H]2CC[C@H]1N2 28521348 MMLRFWSQUZRITP-MXYBEHONSA-N 277.339 2.531 0 1 CFAF CCCC1=CCCC=C1OC[C@H](O)CNC(C)C 29394804 YOJZHLYRNCMSJI-CQSZACIVSA-N 253.386 2.766 0 1 CFAF CCC(=O)N1CC[C@@]1(C)C(=O)Nc1cccc2cccnc12 61895492 ZXGGURZMRNXWET-KRWDZBQOSA-N 297.358 2.574 0 3 CFAF CO[C@H](Cc1ccccc1)C(=O)c1ccc(O)cc1O 103268562 SIYLPNUUUAYXMM-OAHLLOKOSA-N 272.300 2.538 0 1 CFAF c1cc(N[C@H]2CCCNC2)nc(-c2cnc3ccccn23)c1 29046116 JXSUUYYXBOIBBC-ZDUSSCGKSA-N 293.374 2.560 0 1 CFAF CC(C)(Sc1ccc(Cn2ccnc2)cc1)C(=O)O 36242093 BWNNEOYMQDQDLW-UHFFFAOYSA-N 276.361 2.887 0 1 CFAF O=C(O)c1cccc(-c2ccc3c(c2)cc(C(=O)O)n3O)c1 73140997 LTNNZHPXDNYSNJ-UHFFFAOYSA-N 297.266 2.942 0 1 CFAF CN1CCO[C@](O)(c2ccc(-c3cccs3)cc2)C1 40379300 KXFMAIULBLABNA-HNNXBMFYSA-N 275.373 2.522 0 1 CFAF in-vivo C[C@@H](C[C@H]1COC(N)=N1)c1cccc(C(F)(F)F)c1 149323374 FJRDJVPBMPIAGC-KWQFWETISA-N 272.270 2.913 0 1 CFAF O=C1OCc2ccc(OCCOc3ccccc3)cc21 96927359 QQQQOPPXGVYRQX-UHFFFAOYSA-N 270.284 2.815 0 1 CFAF O=C(Nc1ccc(F)cc1C(F)(F)F)c1cc[nH]n1 149146158 UYBZDGDSXUURMU-UHFFFAOYSA-N 273.189 2.820 0 1 CFAF N=C(NCc1ccco1)Nc1ccc2c(n1)CCCC2 299854033 TYBWDPQQOPIKEB-UHFFFAOYSA-N 270.336 2.690 0 1 CFAF CCOC(=O)Cc1nc2ccc3c(c2[nH]1)CCCC3 587777390 KOTWJKAFPNVPRM-UHFFFAOYSA-N 258.321 2.547 0 1 CFAF CCC[C@@]1(CC(=O)OC)CC(=O)c2cc(C)cc(N)c2O1 587399904 NLBFHIDCBSDJGN-INIZCTEOSA-N 291.347 2.644 0 1 CFAF O=C1C[C@@H](c2cc[nH]n2)Oc2c1ccc1c2CCCC1 587528446 ZXNXUKVQEGJWSE-HNNXBMFYSA-N 268.316 2.995 0 1 CFAF COc1ccc(Cc2nc3c(C)nccc3[nH]2)cc1OC 587925108 ANQIVXBLJUHBMX-UHFFFAOYSA-N 283.331 2.874 0 1 CFAF COc1cccc2nc(C[C@H]3CCC(=O)[C@@H]3C)[nH]c12 587962987 LDGCOUKXRKEASR-NXEZZACHSA-N 258.321 2.729 0 1 CFAF CCOC(=O)c1c(-c2cncn2C)[nH]c2cccc(F)c12 587634985 CHPHGKQITZXNBT-UHFFFAOYSA-N 287.294 2.884 0 1 CFAF CC(C)(O)c1cncc(-n2ncc3c(F)cccc32)c1 1772570720 DIRYMBZGDQOVIU-UHFFFAOYSA-N 271.295 2.787 0 1 CFAF Cc1ccc2c(c1)CN(Cc1nc(C)c[nH]1)C[C@@H](C)O2 11785041 ZNVAXHXKLQIEPD-CYBMUJFWSA-N 271.364 2.810 0 1 CFAF CCCCOc1c(C(=O)c2ccco2)cnc2[nH]ncc12 13535758 ZHSSTCSWULCGBG-UHFFFAOYSA-N 285.303 2.961 0 1 CFAF Oc1c(F)c(F)c(Cn2cc[nH]c2=S)c(F)c1F 13776302 KYIHFYLXPPNAKG-UHFFFAOYSA-N 278.230 2.856 0 1 CFAF CN[C@H](Cc1ccc2c(c1)OCO2)c1ccccc1OC 169325795 BSLKBDJHZJZPLS-CQSZACIVSA-N 285.343 2.927 0 1 CFAF O=C(NC12C3[C@H]4CC[C@H]1[C@@H]4[C@H]1[C@H]3CC[C@H]12)N1CCCCC1 1857746748 XDMHBMNTMMXTPE-ZYHSLDNSSA-N 286.419 2.863 0 1 CFAF Cc1cc2cc(O[C@H]3C[C@@H]4CC[C@H](C3)N4)ccc2oc1=O 1857757292 CQJYLBTXDZXLEK-AGGWBTHJSA-N 285.343 2.763 0 1 CFAF O[C@@H](c1ccc(Cl)cc1)c1ccccc1C1=NCCN1 27406500 JGCHUAUECDPVDP-HNNXBMFYSA-N 286.762 2.772 0 1 CFAF CO[C@@H](C1=NCCN1)[C@@H](Oc1ccccc1)c1ccccc1 2356321553 APPDQPXWOYUJEV-DLBZAZTESA-N 296.370 2.823 0 1 CFAF Cc1cccc(Nc2nc3ccccc3n3c(N)nnc23)c1 6792612 ZGHPHSAYUJJCFA-UHFFFAOYSA-N 290.330 2.912 0 1 CFAF Cc1ccc(-c2nnc(-c3snnc3C)o2)s1 103218693 RIQMDFBJSBTLMT-UHFFFAOYSA-N 264.335 2.933 0 1 CFAF COC[C@]12Cc3ccc(O)cc3[C@@](C)(CC[C@H]1N(C)C)C2 100768768 LMPYGANIBIHENG-FGTMMUONSA-N 289.419 2.953 0 1 CFAF C[C@@H](CCc1ccc(O)cc1)N(C)CCc1c[nH]cn1 29411764 RPMYZBPRGKXHLK-ZDUSSCGKSA-N 273.380 2.611 0 1 CFAF c1cc(NC[C@@H]2CCCN2)nc(-c2cnc3ccccn23)c1 29043940 AZERFJSJERMSDV-ZDUSSCGKSA-N 293.374 2.560 0 1 CFAF NN(CCOc1ccccc1)c1nc2ccccc2o1 29417070 MWOVOXXXZFRUPZ-UHFFFAOYSA-N 269.304 2.587 0 1 CFAF FC1CN(c2cc(N3CCCCCC3)nc(C3CC3)n2)C1 28818518 WCKUPOIOQDQXOE-UHFFFAOYSA-N 290.386 2.893 0 1 CFAF C[C@H]1CCC/C=C/[C@H]2CCC[C@H]2[C@H](O)/C=C/C(=O)O1 238772962 DDFOHHVPBOQQDW-FXXNXQPCSA-N 264.365 2.992 0 1 CFAF Cc1cc([N+](=O)[O-])nn1CC(=O)c1coc2ccccc12 385028683 ZTNONEXKTHWLJZ-UHFFFAOYSA-N 285.259 2.729 0 1 CFAF CC[C@@H]1CCC(=O)[C@]12CC(=O)c1cc(C)cc(N)c1O2 587405578 MFNNRAAFVOZQTB-HWPZZCPQSA-N 273.332 2.670 0 1 CFAF CCc1ccc2nc(-c3cnc(N(C)C)nc3C)[nH]c2c1 587195275 SQVZDMBJMNPIOR-UHFFFAOYSA-N 281.363 2.957 0 1 CFAF N[C@@H](c1nc2c(F)c(F)c(F)c(F)c2[nH]1)C1CC1 587255906 UAJRVZYQRYZJHB-MRVPVSSYSA-N 259.206 2.529 0 1 CFAF N[C@H](c1ccsc1)c1nc2cc(F)cc(F)c2[nH]1 587024543 CBAWLNLKLITHOM-SNVBAGLBSA-N 265.288 2.951 0 1 CFAF Cc1cc(C)cc(OCc2nc3cnncc3[nH]2)c1 587563963 DCWAVLHLHFXCHE-UHFFFAOYSA-N 254.293 2.549 0 1 CFAF O=Cc1ccc(OCCc2nc3cccc(O)c3[nH]2)cc1 587566455 NKRSKZUYUBCREU-UHFFFAOYSA-N 282.299 2.703 0 1 CFAF Cc1cc2nc(C[C@H](C)O)[nH]c2cc1Br 586892614 UPYRFBUUMIBVRF-ZETCQYMHSA-N 269.142 2.557 0 1 CFAF COc1cc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2cn1 586906649 DSKWTRILRAZHEI-SECBINFHSA-N 297.314 2.547 0 1 CFAF COc1cccc2cc3c(nc12)[C@@H](CC[C@H]1CCO1)NCC3 963059774 UPCFJUKMGRHVPN-LSDHHAIUSA-N 298.386 2.999 0 1 CFAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cc(C)no1 963045570 HELNJQQUASWBGK-KRWDZBQOSA-N 295.342 2.775 0 1 CFAF Oc1ccc([C@@H]2CCc3c(O)cc(O)cc3O2)cc1 14806132 MDDPZOZWEZNMTK-AWEZNQCLSA-N 258.273 2.870 0 1 CFAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(F)cc1)N2C 169371534 QUSLQENMLDRCTO-ZQDZILKHSA-N 277.339 2.565 0 1 CFAF NC(=O)N(O)[C@@H]1CCCc2c1ccc1ccccc21 3781793 NHAKILSBJORLIH-CQSZACIVSA-N 256.305 2.987 0 1 CFAF COC(=O)[C@]1(Cc2ccccc2)Cc2ccccc2[C@H]1O 1646174 OAABOBLLGUGNRU-SJLPKXTDSA-N 282.339 2.678 0 1 CFAF COc1cc(O)c(C(=O)CC(=O)c2ccccc2)c(O)c1 102943578 GLBWMOHCXNPFLS-UHFFFAOYSA-N 286.283 2.562 0 1 CFAF O=C(O)c1cc2c(O)cc(Cn3ccnc3)cc2s1 29394021 IDKBDACOWMLQNX-UHFFFAOYSA-N 274.301 2.550 0 1 CFAF CCc1nc2cccc(CCCNC(=O)C3CC3)c2o1 27209927 CWDUPBUCCVAMPX-UHFFFAOYSA-N 272.348 2.849 0 1 CFAF CC1=CCC(=O)[C@H](C)CC[C@@H]2[C@H](C1)OC(=O)[C@@H]2C 2356625538 PQRMUWWEXAQGMS-NMKXLXIOSA-N 250.338 2.890 0 1 CFAF COc1cc2c3c(c1OC)C(=O)N[C@@H]3Cc1ccccc1-2 2356657131 VWCDNKPLOWCONG-GFCCVEGCSA-N 281.311 2.711 0 1 CFAF N[C@@H](CCSCCCc1c[nH]c2ccccc12)C(=O)O 29245496 RUYUYJVZXDSOIX-ZDUSSCGKSA-N 292.404 2.636 0 1 CFAF CN(C)C(=S)[C@]1(c2ccccn2)CCCS1 26731344 PVSKWDASOYJOJO-GFCCVEGCSA-N 252.408 2.693 0 1 CFAF Cc1ccnc(C[S@](=O)c2nc3cscc3[nH]2)c1 27519092 OPFDXOWZGBWOTJ-GOSISDBHSA-N 277.374 2.636 0 1 CFAF CO[C@H]1C(=O)N(SC)[C@H]1c1ccc(Cl)cc1 34050604 TYTYMASHHMRZDT-VHSXEESVSA-N 257.742 2.516 0 1 CFAF c1ccc(-c2n[nH]cc2-c2ccnc(-n3ccnc3)c2)nc1 72116981 RRSMQTBPLPCBAN-UHFFFAOYSA-N 288.314 2.719 0 1 CFAF Clc1ccc(-c2cc(-c3nnn[nH]3)ncn2)cc1Cl 72315914 MTOCMLGOPYERKW-UHFFFAOYSA-N 293.117 2.631 0 1 CFAF CCCCc1cc(-c2c[nH]c3ncccc23)nc(N)n1 43202108 JPZHGBZYRNZXPJ-UHFFFAOYSA-N 267.336 2.945 0 1 CFAF in-vitro Cn1nc(-c2cccs2)c2c3c(c(=O)[nH]c21)CCCC3 40424162 CYNIHFHYXZPNDK-UHFFFAOYSA-N 285.372 2.869 0 1 CFAF COc1cc(C2=C[C@H]3CNC[C@@H](C2)C3)cnc1Cl 95578089 IMWUFTIDVKJBTJ-VHSXEESVSA-N 264.756 2.756 0 1 CFAF C[C@H](O)C[C@@H](C)CNCc1cccc(OC(C)(C)C)n1 261103802 HANZWZYWTAIZOE-OLZOCXBDSA-N 280.412 2.756 0 1 CFAF CN[C@@H](c1cccnc1)c1nc2cccc(C)c2[nH]1 587227539 ZIXDJHSDXQMQTG-AWEZNQCLSA-N 252.321 2.575 0 1 CFAF CCO[C@@H](C)c1nc(C)c(-c2nc3ncc[nH]c-3n2)s1 587014731 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CC[C@@H]1C=C(C(=O)NCC(C)C)[C@@H]2CCC(=O)[C@H]2C1 2356827776 IPJCJXBAPHPSRU-XQQFMLRXSA-N 263.381 2.710 0 1 CFAF CCCNC(=O)[C@]1(C)CCCN(Cc2ccccc2F)C1 61907350 VCEYOIOSXRBMPZ-QGZVFWFLSA-N 292.398 2.954 0 3 CFAF O=C1[C@@H]2CCCN2c2ccccc2N1Cc1ccncc1 29473982 VLYUNHTZUWSXSU-INIZCTEOSA-N 279.343 2.597 0 1 CFAF CCc1cn2cc(C(=O)c3ccccc3)nc2nc1OC 28232388 XRRMJAOBPYMFQX-UHFFFAOYSA-N 281.315 2.531 0 1 CFAF O=C1OC[C@@H](CO)C=C1c1ccc(Cl)c(Cl)c1 64573425 OMQNBLFJEQUYJE-SSDOTTSWSA-N 273.115 2.542 0 1 CFAF Cc1cccc(-c2nc(Cn3cnc(C=O)c3)co2)c1 72185694 VMVLEGHVPNTACN-UHFFFAOYSA-N 267.288 2.707 0 1 CFAF COc1ccccc1-c1[nH]c(-c2ccncc2)cc1C(N)=O 43174119 LOJQFXGCPMRUIK-UHFFFAOYSA-N 293.326 2.851 0 1 CFAF O=C1O[C@H]2CCc3ccccc3C2=N[C@H]1Cc1ccccc1 653831323 OWGUAJWVBZTLFW-IRXDYDNUSA-N 291.350 2.959 0 1 CFAF COC1([C@H]2CC(=O)c3cc(C)cc(N)c3O2)CCCC1 587403991 SOBFKVOWOPAGGG-CQSZACIVSA-N 275.348 2.870 0 1 CFAF N=c1[nH]cc2nc(-c3cccc(F)c3C(F)(F)F)nc-2[nH]1 587098546 SLXLYJNENXZBAE-UHFFFAOYSA-N 297.215 2.542 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(C)C)o1)O2 587386489 JRHRJMVHGOXJFZ-CQSZACIVSA-N 286.331 2.943 0 1 CFAF COCC(=O)Cc1nc2cccc(C(C)(C)C)c2[nH]1 587563007 LFXWUVRGHXGXHY-UHFFFAOYSA-N 260.337 2.618 0 1 CFAF CCC1([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)COC1 587411374 IPXFCWIICXZDHD-OAHLLOKOSA-N 275.348 2.728 0 1 CFAF COc1cc2c3c(c1)O[C@@H]([C@@H]1CCC(C)(C)O1)[C@@H](C2)C3=O 587456220 TWBUMDKNAVPNPU-MQIPJXDCSA-N 288.343 2.769 0 1 CFAF C[C@H]1CCO[C@H](c2nc3cc4cn[nH]c4cc3[nH]2)C1 586917528 RIVOWYMOULCJJW-SDBXPKJASA-N 256.309 2.927 0 1 CFAF Oc1nccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587079640 FINYXJGLSZZIOH-NSHDSACASA-N 287.706 2.993 0 1 CFAF CCNC(=O)CCc1nc2cccc(C(F)(F)F)c2[nH]1 587230705 LUZDMUMOQDWGES-UHFFFAOYSA-N 285.269 2.650 0 1 CFAF CCOC(=O)[C@@H](C)[C@@H]1NCCc2cc(C)c(F)cc21 962143017 HQOGFLUAFLCIPV-HZMBPMFUSA-N 265.328 2.520 0 1 CFAF COC(=O)[C@H]1CCC[C@]2(C1)NCCc1ccc(F)c(C)c12 962095982 YVTDSIQLPIMJDS-SUMWQHHRSA-N 291.366 2.838 0 1 CFAF O=C1c2c(O)cccc2C[C@H]1Cc1ccc(O)cc1 138392250 BUMLHYGBONBUND-GFCCVEGCSA-N 254.285 2.696 0 1 CFAF C[C@@H]1C(=O)O[C@@H]2[C@H]1CC[C@@]1(C)CCC(=O)[C@@H](C)[C@H]21 13143014 BXRGGUXPWTWACZ-UBZUQEGSSA-N 250.338 2.579 0 1 CFAF endogenous,in-man CCOC(=O)CCCCCCC[C@@H]1C=CC(=O)O1 13480121 UDABLQYHMGMQPG-GFCCVEGCSA-N 254.326 2.762 0 1 CFAF Fc1ccc(-n2nnc(-c3cccnc3Cl)n2)cc1 13545559 FJEQSNOGJXPASP-UHFFFAOYSA-N 275.674 2.517 0 3 CFAF COc1ncccc1-c1nc2cc(-n3ccnc3)ccc2[nH]1 13651255 DCRQVLNISKWVBI-UHFFFAOYSA-N 291.314 2.819 0 1 CFAF CCN(CC)C(=O)c1ccccc1NCc1c[nH]cn1 13860602 DJYTZDSAQZPKOG-UHFFFAOYSA-N 272.352 2.504 0 1 CFAF CC(=O)N1[C@H]2C=C[C@H](C2)C1(C(F)(F)F)C(F)(F)F 140041 SIERWPPSKUBEJN-RQJHMYQMSA-N 273.176 2.657 0 1 CFAF COc1cc(-c2ccncc2)cc2ccc(=O)[nH]c12 26493064 CYILCRGCZDXAJW-UHFFFAOYSA-N 252.273 2.599 0 1 CFAF CNc1ccccc1-c1nc2ccccc2c(=O)o1 1620196 DSZYWOKARLCKMH-UHFFFAOYSA-N 252.273 2.897 0 1 CFAF Cc1ccccc1-c1nnc(-c2n[nH]c3c2C(=O)CCC3)o1 1911582935 NUAZPOHZVBCSFL-UHFFFAOYSA-N 294.314 2.954 0 1 CFAF C[C@@H]1C=C[C@@H]2C[C@](C)(O)CC[C@@H]2[C@@H]1CCC(=O)O 2356685875 JCBGMXDVXDFMAS-XLFUENPSSA-N 252.354 2.841 0 1 CFAF CCCCCc1cc(=O)oc2nc(C(F)F)nc(O)c12 66097239 NHAKVIYYEYMPDA-UHFFFAOYSA-N 284.262 2.959 0 1 CFAF CNc1ncnc2c1c(-c1cccc(O)c1)nn2C(C)C 64516712 ZYHPWPSOURIJGT-UHFFFAOYSA-N 283.335 2.822 0 1 CFAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)N2 34003516 PRQICMQRAXJOCP-MQYQWHSLSA-N 279.767 2.737 0 1 CFAF Cc1nc(CN)cc(NCCSC2CCCCC2)n1 39430069 FXOORLDNPBPHGJ-UHFFFAOYSA-N 280.441 2.722 0 1 CFAF Oc1cccc([C@@H]2NC(=S)Nc3ccccc32)c1 89455588 PYVSDXZSGDQWKQ-ZDUSSCGKSA-N 256.330 2.782 0 1 CFAF CN1C=CN(COC/C=C/c2ccccc2)/C1=C\N=O 140605057 LOCSPVYGOQOOIN-GPZTXXIKSA-N 271.320 2.958 0 1 CFAF COC(=O)c1cc(O)c2[nH]c3ccc(O)cc3c2c1 238767875 MDUOYMNLPKBQDC-UHFFFAOYSA-N 257.245 2.519 0 1 CFAF O=C1CCNc2ccc(F)cc2CN1Cc1ccco1 299850649 CNPLENYWIPGJAV-UHFFFAOYSA-N 274.295 2.763 0 1 CFAF COc1cc2c3c(c1)O[C@]1(C[C@@H]4C=CC[C@@H]41)[C@@H](C2)C3=O 587446773 FRIAQAAPQGJECY-VUUOMBDGSA-N 268.312 2.777 0 1 CFAF CCOC(=O)c1c(-c2cnn(C)c2)[nH]c2cc(F)ccc12 587634870 AEJCIXPFSVKTQC-UHFFFAOYSA-N 287.294 2.884 0 1 CFAF CCOC(=O)[C@@H](F)c1cc2c3c(cccc3n1)CC2 587210626 SQTFYEHAVLEASE-AWEZNQCLSA-N 259.280 2.907 0 1 CFAF CCSC[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587410041 PNCSATUDKFEMRB-SECBINFHSA-N 251.351 2.664 0 1 CFAF CC[C@]1(c2ccc[nH]2)NCCc2c1c(C(C)C)nn2C 962923198 YOWQBIAUYBQEIT-MRXNPFEDSA-N 272.396 2.671 0 1 CFAF COC(=O)N1CC[C@@H]2CCc3ccnc(Cl)c3[C@@H]21 13586636 QVUKNXHOEOTUJJ-GXSJLCMTSA-N 266.728 2.811 0 1 CFAF CCCCCOc1nccnc1[C@H]1CN2CCC1CC2 13743103 FIHZVQIBDOOOHL-AWEZNQCLSA-N 275.396 2.855 0 1 CFAF CCN(CC)CCNc1ccc(OC)c2ncccc12 169321610 VUDIRUGBWUBWOW-UHFFFAOYSA-N 273.380 2.997 0 1 CFAF C[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccco3)oc2c1 168854582 ONMHFWXBCYQUHR-SECBINFHSA-N 295.298 2.948 0 1 CFAF COc1cc2cc(-c3ccc(=O)[nH]c3)cnc2cc1OC 9633633 RWZAFECYIQQVPG-UHFFFAOYSA-N 282.299 2.607 0 1 CFAF in-vivo COC(=O)c1ccc(-c2nc3c(C)cccc3c(=O)[nH]2)cc1 13782476 INIBNMGTPXJURH-UHFFFAOYSA-N 294.310 2.685 0 1 CFAF C[C@@H]1CC(=O)[C@@H]2[C@H](C=C[C@]3(C)OCCC(=O)[C@]23C)C1 2356398953 ITWYWAQNTCPFOM-DCIASYOESA-N 262.349 2.542 0 1 CFAF CCCN(CCC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN 1846950 GGRBZIQYFCKSOC-DOTOQJQBSA-N 274.408 2.552 0 1 CFAF CC(=O)CC[C@H]1CC(=O)[C@H](C)CCC(=O)OC1(C)C 2356406168 OWFVOAAGKLGICH-PWSUYJOCSA-N 268.353 2.683 0 1 CFAF COC(=O)[C@@H]1CC[C@]2(C)[C@@H]3COC(=O)C3=CC[C@@H]2C1(C)C 2356332394 CIXCKWJWPAIIEX-SFDCBXKLSA-N 292.375 2.721 0 1 CFAF CCCCC[C@H](O)[C@@H](O)C=Cc1cccc(O)c1C=O 2356449109 AZOKWZGGQMSBFD-HOTGVXAUSA-N 278.348 2.520 0 1 CFAF CC(=O)O[C@@H](C)N1CCC(Cc2ccccc2)CC1 103280516 WJYPQIRWRKRLFP-ZDUSSCGKSA-N 261.365 2.850 0 1 CFAF CC1(C)C=C(N2CCCCC2=O)c2cnccc2O1 26822513 VQADFKFDXOAPQV-UHFFFAOYSA-N 258.321 2.606 0 1 CFAF CN1C(=O)CC[C@@H](Cc2ccc(C(F)(F)F)cc2)C1=O 28009480 AWXYYMMBLKKAAT-JTQLQIEISA-N 285.265 2.643 0 1 CFAF C[C@@H](c1onc(-c2ccc(F)cc2)c1C(=O)O)N(C)C 2356302477 WJWNZNFEQIIEAE-QMMMGPOBSA-N 278.283 2.802 0 1 CFAF C[C@H](C(=O)OC1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 29406760 ABQUDUAAINLKTQ-NTQSIJHJSA-N 273.376 2.959 0 1 CFAF CC(=O)OCC(=CCCC(C)=CCO)CCC=C(C)CO 2356679576 XTYOANOPYVEUBI-UHFFFAOYSA-N 296.407 2.914 0 1 CFAF COC(=O)c1cc(C(=O)OC)n2c(C)cc3ccccc3c12 36381610 ATHKFIHITMBPIT-UHFFFAOYSA-N 297.310 2.974 0 1 CFAF Cc1cccc(C)c1OCCN[C@H]1CCCC[C@@H]1O 73168604 ZQEKJFLPOKNQMM-GJZGRUSLSA-N 263.381 2.575 0 1 CFAF COCc1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1 72177384 SZIRBMUDVGMJBO-UHFFFAOYSA-N 292.360 2.932 0 1 CFAF COc1ccc(C(=O)c2ccc(OC)c(O)c2OC)cc1 72125081 GRGVDRVIEYNXKK-UHFFFAOYSA-N 288.299 2.649 0 1 CFAF Cc1cccc(C)c1NC(=O)[C@@]1(C)CCC(=O)N1C1CC1 199397355 QKBAFAGUIOUNGC-QGZVFWFLSA-N 286.375 2.785 0 3 CFAF Cc1cccc(NC(=O)c2nc(C)cc3cc[nH]c23)n1 95579466 AMFDWAQBEWPZKV-UHFFFAOYSA-N 266.304 2.827 0 1 CFAF COc1nn(-c2cccc(Oc3ccccc3)c2)c(=O)o1 95552261 MAWQNKAJQQKDTD-UHFFFAOYSA-N 284.271 2.626 0 1 CFAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1OC[C@@H]2O 253636281 JHBGIEZIDJQZJI-DRRXZNNHSA-N 274.360 2.598 0 1 CFAF CC(C)Oc1ccc2nc(Cc3cccnc3N)[nH]c2c1 587254661 WFIIVKYJHBQCOW-UHFFFAOYSA-N 282.347 2.918 0 1 CFAF CC[C@]1([C@H](C)C(=O)OC)CC(=O)c2cc(C)cc(N)c2O1 587400292 QBSIAKWLVUIWTE-QLJPJBMISA-N 291.347 2.500 0 1 CFAF CC(C)OC(=O)C1(c2nc3cccnc3[nH]2)CC(F)(F)C1 587131449 INNXUIOTDONGLL-UHFFFAOYSA-N 295.289 2.576 0 1 CFAF FC(F)=C(C[C@H]1CCCN1)c1nc2nc(Cl)c[nH]c-2n1 587088595 PPDGGQLHPGWODA-ZCFIWIBFSA-N 299.712 2.708 0 1 CFAF COC(=O)C1=C[C@@]2(CCC1)NCCc1c2sc(C)c1C 963005085 CMNNARYKAPDIKD-MRXNPFEDSA-N 291.416 2.989 0 1 CFAF Cc1ccc2nc(-n3c(O)nc4ccccc43)[nH]c2c1 1772645463 GMENNASNKFXGHC-UHFFFAOYSA-N 264.288 2.916 0 1 CFAF Nc1nc2c(c(=O)[nH]1)-c1cccc(-c3ccccc3)c1CC2 13832490 VBIDRNLDMXTOES-UHFFFAOYSA-N 289.338 2.785 0 1 CFAF CC(=O)O[C@H]1C=C2C(=O)OC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@@H]12 14449485 WWFISPRTXQEOER-SZOQZIPDSA-N 292.375 2.864 0 1 CFAF CC(=O)N(CC(C)C)C1=C(C)Nc2ccccc2NC1=O 205860369 SYDLSCKLXJNHNB-UHFFFAOYSA-N 287.363 2.787 0 3 CFAF CC(C)=CCC(=O)[C@H](C)CCC[C@@]1(C)CO[C@@H](CO)CO1 27441276 UTFITFNGJUFYBJ-VYDXJSESSA-N 298.423 2.885 0 1 CFAF CN1CCCC2(CCN(C(=O)c3cccc(F)c3)CC2)C1 4238142 FHRBEEYDMINPPC-UHFFFAOYSA-N 290.382 2.774 0 1 CFAF O=c1oc(COc2ccc(F)cc2)nc2ccccc12 103181002 NTRXZJHSUNJASA-UHFFFAOYSA-N 271.247 2.906 0 1 CFAF CCCCc1c(C)nc2cc(-c3ccco3)[nH]n2c1=O 104302847 PVIYSCVBHCYIMY-UHFFFAOYSA-N 271.320 2.934 0 3 CFAF OC12C[C@@H]3CC(C[C@H](C3)C1)N2Cc1ccc(F)cc1 101437633 FKKAECOHQYDEIW-VRLRAXNCSA-N 261.340 2.909 0 1 CFAF COc1ccc2c3nc(-c4ccon4)nc-3c[nH]c2c1 100774040 JPNPYVRFBNPWHT-UHFFFAOYSA-N 266.260 2.726 0 1 CFAF NC1=N[C@H](c2ccc(F)cc2)Cc2cc(F)ccc21 25976315 PZUJYUAPVWDTTH-AWEZNQCLSA-N 258.271 2.968 0 1 CFAF CC(=O)O[C@H]1O[C@@H]2C=C(C)[C@H]3C[C@@H]2[C@@]13CC(=O)CC(C)C 29041962 GXJSMKHKQRATHF-ALYAQQCSSA-N 292.375 2.862 0 1 CFAF NCCS[C@@H]1c2ccccc2Oc2ncccc21 25971037 GBJMKMNAFJXECL-CYBMUJFWSA-N 258.346 2.969 0 1 CFAF COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(N)=O)cc1 69058537 WCVHAZPMDTXWOY-INIZCTEOSA-N 295.342 2.925 0 1 CFAF c1ccc(-c2cnc(NCN3CCCCC3)nc2)cc1 49037158 FBCNYWQXUNXPOK-UHFFFAOYSA-N 268.364 2.999 0 1 CFAF CCc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1 43076872 OCXCCNYHGSRYEK-INIZCTEOSA-N 286.419 2.853 0 1 CFAF CC(=O)O[C@@H]1c2ccccc2N2C(=O)c3ccccc3N[C@@H]12 95596814 QYZODBRQIWAPPP-HZPDHXFCSA-N 294.310 2.703 0 1 CFAF O=C(O)CN1c2ccccc2Nc2c(C(=O)O)cccc21 238767412 VBAHMOBEQLBTBK-UHFFFAOYSA-N 284.271 2.665 0 1 CFAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cnc(Cl)[nH]c-3n1)C2 586884793 IYEWFWWFMZNINN-XHNCKOQMSA-N 288.738 2.597 0 1 CFAF COc1cncc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c12 586907802 XOQYVPIWELPSRO-WUXMJOGZSA-N 293.282 2.635 0 1 CFAF Cc1ccc2c(ccc3nc(C[C@@H](C)N(C)C)[nH]c32)n1 587189751 DQKQJEFULYRDRY-LLVKDONJSA-N 268.364 2.912 0 1 CFAF Cc1ccnc2[nH]c([C@]3(N)C[C@@H]3c3ccccc3F)nc12 587154663 FVUWKXXEBRSZSD-BZNIZROVSA-N 282.322 2.747 0 1 CFAF COc1ncc(F)cc1-c1nc2cc3c(cc2[nH]1)OCO3 587175399 CTSIUPBIZFOEAV-UHFFFAOYSA-N 287.250 2.501 0 1 CFAF Cc1cc2[nH]c(CC[C@@H](C)CC(=O)O)nc2c(C)n1 587962260 CAGBPPCFQPGIQH-MRVPVSSYSA-N 261.325 2.618 0 1 CFAF COC(=O)C[C@H](C)Cc1nc2cc(C)cc(C)c2[nH]1 587787392 VHABVDNWLFGGKE-SNVBAGLBSA-N 260.337 2.921 0 1 CFAF O=C(O)c1ccccc1/C=C/c1nc2cc(F)cnc2[nH]1 586880748 RMYBHIPPESVWST-AATRIKPKSA-N 283.262 2.966 0 1 CFAF Cc1cccc2c1NCC[C@]21NCCc2ccc(O)cc21 963329777 TVGAIWXYVHLLMK-SFHVURJKSA-N 280.371 2.906 0 1 CFAF C/C(=C\CC[P@](=O)(O)Oc1ccccc1)CO 1857536459 DDDRAYWJOMEWHJ-IZZDOVSWSA-N 256.238 2.580 0 1 CFAF C[C@H](N)c1ccc(S(=O)(=O)c2ccccc2)s1 1857614267 NPVKJULXEDELEE-VIFPVBQESA-N 267.375 2.601 0 1 CFAF Cc1cccc(-c2ccnn2-c2cc(C(=O)O)ccn2)c1 146618765 QBLUFCRSMWHQNN-UHFFFAOYSA-N 279.299 2.941 0 1 CFAF CCSc1cc(OC)c(C[C@H](C)N)c(OC)c1 13641826 UBJBIUDLAZEZPQ-VIFPVBQESA-N 255.383 2.706 0 1 CFAF COc1ccc(C(=O)NC2=NN(c3ccccc3)CC2)cc1 13862044 ZMBYWGUXWDGUCJ-UHFFFAOYSA-N 295.342 2.649 0 1 CFAF COC(=O)C1=CC[C@H]([C@@H](C)CC(=O)CC(C)(C)O)CC1 14496424 KAJIJADFNSETGE-RYUDHWBXSA-N 282.380 2.642 0 1 CFAF COc1cncc(-c2ccc3c(c2)CCN3C(C)=O)c1 169348879 HLBUWSIUHJUWML-UHFFFAOYSA-N 268.316 2.666 0 1 CFAF C=C[S@](=O)c1cc(O)c2c(OC)ccc(OC)c2c1O 169729694 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OMIDFQLIKVTAIC-UHFFFAOYSA-N 262.501 2.734 0 1 CFAF Cc1nc2nc(N)nc(N)c2c(C)c1Cc1cccc(F)c1 45301665 WRVIIAXLRCQARL-UHFFFAOYSA-N 297.337 2.536 0 1 CFAF CCc1ccc(Cc2cnc3nc(N)nc(N)c3c2C)cc1 45201860 CLTMUJCWQUMLCQ-UHFFFAOYSA-N 293.374 2.651 0 1 CFAF CC/N=c1\c(NC(=O)NC(C)C)c(O)oc2ccccc12 618000338 DMPVQPRQGWWASQ-VBKFSLOCSA-N 289.335 2.589 0 1 CFAF COc1cc2nc([C@@H](O)CC(C)C)[nH]c2cc1OC 586900253 BTWBSSABZWKDPM-NSHDSACASA-N 264.325 2.660 0 1 CFAF O=C(O)/C=C/C=C\c1nc2c(Br)cccc2[nH]1 587964845 DAWWWKZMJLBYDR-BHYIOOLYSA-N 293.120 2.979 0 1 CFAF O=C1CC2(Oc3c1ccc1c3CCCC1)[C@H]1CC[C@H]2CNC1 587526115 PSCVKBHTLGEGRJ-KBPBESRZSA-N 297.398 2.899 0 1 CFAF COc1cc2nc([C@@H](N)c3ccsc3)[nH]c2cc1OC 587026163 VCWNBMQJXVJIBE-ZDUSSCGKSA-N 289.360 2.690 0 1 CFAF CCCc1c(O)ccc2c1OC1(CC2=O)CC2(COC2)C1 587494062 WULMUDVLZISGOE-UHFFFAOYSA-N 288.343 2.859 0 1 CFAF CCc1c[nH]c2ncnc(N[C@H]3CC[C@H](N(C)C)CC3)c12 1772622304 REPOYTYLMHHIGZ-JOCQHMNTSA-N 287.411 2.805 0 1 CFAF COc1ccc(C(=O)O)cc1Oc1ccc(CO)cc1 14502240 XCNSFCGOSWCNJS-UHFFFAOYSA-N 274.272 2.678 0 1 CFAF COc1cc(OC)c(C(=O)c2ccccc2)c(O)c1C 14814538 IJZQCEWNDKSQMW-UHFFFAOYSA-N 272.300 2.949 0 1 CFAF CCc1nc(CC)n2nc(-c3ccccc3)cc2n1 26498860 XKVPDMMNSDDBFY-UHFFFAOYSA-N 252.321 2.916 0 1 CFAF CC[C@](CCN(C(C)C)C(C)C)(C(N)=O)c1ccccn1 27521971 YQUJDTFGZWYRHS-QGZVFWFLSA-N 291.439 2.724 0 1 CFAF O[C@@H]1O[C@@H](c2ccco2)C(F)(F)C(F)(F)C1(F)F 1654473 XICDCMDCHMIBAQ-NTSWFWBYSA-N 276.132 2.575 0 1 CFAF CC(=O)CC[C@@H]1CC(=O)[C@H](C)CCC(=O)OC1(C)C 2356406169 OWFVOAAGKLGICH-ZYHUDNBSSA-N 268.353 2.683 0 1 CFAF CCOC(=O)Oc1ccc2c3c(cccc13)C(=O)O2 103283951 NKOFUESMSYSNNX-UHFFFAOYSA-N 258.229 2.908 0 1 CFAF c1cc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c[nH]1 28640366 PGKHHJWFDIGZCO-INIZCTEOSA-N 295.390 2.968 0 1 CFAF COC(=O)[C@@H](c1ccc(Cl)cc1)[C@H]1CCCCN1 35963499 DJLLHNLJLSEKHJ-OLZOCXBDSA-N 267.756 2.739 0 1 CFAF in-vitro c1cc(NC2CCNCC2)nc(-c2n[nH]c3ccccc23)c1 40429114 JIVKWFIJGHPRQL-UHFFFAOYSA-N 293.374 2.789 0 1 CFAF Cc1cc(C)nc(SCC(=O)c2cccc(O)c2)n1 45370001 BVILRROQNWDJLL-UHFFFAOYSA-N 274.345 2.774 0 1 CFAF CN1Cc2cc3c(cc2-c2cc(O)ccc21)OCO3 222327235 OLIMKRZHQNGQQN-UHFFFAOYSA-N 255.273 2.738 0 1 CFAF C[C@@H]1Cc2cocc2[C@H](O)[C@H]2CC(C)(C)C[C@@]12O 238740325 AWQDNLQGSPYBFY-BXKLLYQPSA-N 250.338 2.673 0 1 CFAF C/C1=C/CC/C(C)=C/[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1 238737314 TXSIFZZILWRCIY-RYRXLYFCSA-N 250.338 2.602 0 1 CFAF C[C@@H]1CCn2nc(COc3ccccc3)cc2[C@@]1(C)O 299836859 IDISEGHPOUWHMF-WBMJQRKESA-N 272.348 2.709 0 1 CFAF Nc1ccc(-c2ccc3nc([C@H](N)C4CC4)[nH]c3c2)cc1N 587255902 TWZZLXKQZGKBGL-MRXNPFEDSA-N 293.374 2.804 0 1 CFAF O=S(=O)(Cc1nc2ccc(F)cc2[nH]1)C1CCCC1 586924685 UARMNHGCAUVUCN-UHFFFAOYSA-N 282.340 2.559 0 1 CFAF CC(C)(C)[C@@H]1CCc2nc3nc(O)nc(O)c3cc2C1 587562254 UAICDEOICXNLBR-SECBINFHSA-N 273.336 2.587 0 1 CFAF CCc1cc2c(O)nc(O)nc2nc1-c1ccsc1 587564287 PIRVVPDJARVQSS-UHFFFAOYSA-N 273.317 2.727 0 1 CFAF COC(C)(C)C[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587402225 VZWXHHHOZNUKEN-SNVBAGLBSA-N 263.337 2.726 0 1 CFAF C[C@H](O)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587824980 FBQBPRXTUOQBIQ-LTMDPNIMSA-N 288.160 2.544 0 1 CFAF Nc1c(F)c(F)cc(-c2nc3cc(F)cnc3[nH]2)c1F 587136511 JQPUOSPGXYRRJQ-UHFFFAOYSA-N 282.200 2.764 0 1 CFAF COc1ccnc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587393268 DNQOCCBSIIPRDJ-HNNXBMFYSA-N 284.315 2.687 0 1 CFAF C=Cc1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1 586880844 HPUBZMIYYYVNPI-UHFFFAOYSA-N 263.300 2.972 0 1 CFAF CC(=O)OC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587523129 NREZCPKHVQEVMA-KRWDZBQOSA-N 288.343 2.852 0 1 CFAF CC1=C2[C@H]([C@@H](C)CC[C@@H]2/C=C(\C)C(=O)O)[C@H](O)C1 13783206 XJNQXTISSHEQKD-WRYOOMPLSA-N 250.338 2.761 0 1 CFAF endogenous,in-man COC(=O)[C@H]1c2c(C)c(O)c(C)c(C)c2OC1(C)C 13651867 ZXIFGJGMFDUJHJ-LLVKDONJSA-N 264.321 2.745 0 1 CFAF C[C@H](N)C(=O)OCC(C)(C)c1ccc(Cl)cc1 13777624 LGRDMLGTOXSFFH-VIFPVBQESA-N 255.745 2.508 0 1 CFAF CCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 15257077 JZLXEKNVCWMYHI-ZDUSSCGKSA-N 280.364 2.844 0 1 CFAF COc1ccc([C@H]2CN3CCCC[C@@H]3CO2)cc1OC 169315900 IOIJULJCADKGNK-CZUORRHYSA-N 277.364 2.630 0 1 CFAF c1ccc(-c2n[nH]c3cnc(-n4ccnc4)cc23)cc1 205254050 QUUDPFAXDAUASM-UHFFFAOYSA-N 261.288 2.811 0 1 CFAF C[C@H]1C(=O)N(C)c2ccc(Nc3ccccn3)cc2N1C 1857745732 BSJGMYGPXFAVFY-NSHDSACASA-N 282.347 2.626 0 1 CFAF COc1cc([C@@H]2O[C@H](OC)[C@@H](C)[C@@H]2C)cc(OC)c1O 2356437470 TUWUTXXFNYPXGV-YMLDPWDYSA-N 282.336 2.725 0 1 CFAF CC[C@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c(C)nc3n2)C1 3955079 LAZNUJPQOBCGAF-PWSUYJOCSA-N 286.379 2.641 0 1 CFAF CC(=O)CC[C@@H]1C(=O)C[C@@H](C(C)(C)O)CC[C@H]1C 2356405486 UYXPDSAGXXKPIL-WXHSDQCUSA-N 254.370 2.748 0 1 CFAF CC(C)C[C@@H]1NC(=O)N(OCc2cccc(Cl)c2)C1=O 1911571803 YTIVYDOOWUHOGJ-LBPRGKRZSA-N 296.754 2.738 0 1 CFAF CC1(C)C[C@@H]2OC(=O)CC[C@]23C[C@@](C)(O)CC[C@H]13 2356465392 PZLWQZYBJYOJTN-FDRIWYBQSA-N 252.354 2.659 0 1 CFAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@H]1c1ccc(C)cc1)N2C 26497804 MMKZDDDDODERSJ-UGUYLWEFSA-N 273.376 2.734 0 1 CFAF c1ccc(-c2[nH]c3ncccc3c2C2=NCCN2)cc1 28871700 WIAVGMNICYWQOE-UHFFFAOYSA-N 262.316 2.580 0 1 CFAF COc1ccc(OC)c(-c2nc(-c3ccccn3)no2)c1 34817919 JCNIDKOBQNRWEI-UHFFFAOYSA-N 283.287 2.816 0 1 CFAF COP(=O)(OC)[C@@H](O)[C@H](C)c1ccc(C)cc1 211058812 YZVCEVMUURUUAF-ZYHUDNBSSA-N 258.254 2.903 0 3 CFAF CNC[C@]1(O)Cc2ccccc2[C@@H]1Cc1ccccc1C 40836218 IOEFEBQWPLLQHN-RBUKOAKNSA-N 281.399 2.828 0 1 CFAF Cc1ccc2[nH]c(=O)n(Cc3c(F)cccc3F)c2c1 40404437 NSSKCDQINHNJRN-UHFFFAOYSA-N 274.270 2.965 0 1 CFAF O=c1[nH]ccc2cc(-c3ccccc3CO)ccc12 95921371 UYPQNXCIONEUFC-UHFFFAOYSA-N 251.285 2.687 0 1 CFAF in-vitro Oc1nc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cs1 587018412 ZMZDJTHYLJRLEI-UHFFFAOYSA-N 286.238 2.806 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](c1cncn1C)CC2=O 587471213 OWUDODXILNMKQW-OAHLLOKOSA-N 286.331 2.785 0 1 CFAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3 587963950 WSBKPDOEGSPRCX-UWVGGRQHSA-N 297.358 2.605 0 1 CFAF CC1=C(c2ccc3nc(C4CCC4)[nH]c3c2)NNC(=O)C1 586884556 PMPDZZBTMIVEHI-UHFFFAOYSA-N 282.347 2.586 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCSC1)O2 587412399 BRYBXPZKFMHJID-CQSZACIVSA-N 263.362 2.808 0 1 CFAF CC(C)Cc1cc2c(O)nc(O)nc2nc1C(C)(C)C 587562046 XIJSVYXOGCJPRN-UHFFFAOYSA-N 275.352 2.932 0 1 CFAF C[C@@H]1C[N@]1P(=O)(Oc1ccccc1)[N@@]1C[C@H]1C 1857623574 JCBGYJPACKELTI-RFHZTLPTSA-N 252.254 2.582 0 1 CFAF CC(C)(C)CO[C@H]1OC(=O)C(Cl)=C1N1CCCCC1 1857768686 QSWVLCXTPXEUBE-ZDUSSCGKSA-N 287.787 2.868 0 1 CFAF C[C@]12CC[C@]3(CO)CO[C@H](c4ccccc4O1)[C@@H]2C3 104456340 JPABUXDNLBKOTH-XZDPQHSOSA-N 260.333 2.688 0 1 CFAF COc1ccc(SC)c2c1C[C@H](N(C)C)CC2 29211037 QWRGGAVMFIBUMX-SNVBAGLBSA-N 251.395 2.836 0 1 CFAF CC(C)N1CCOC[C@@H]1c1nc(C(C)(C)C)co1 2356459768 YCJWILSXAQIWLU-LLVKDONJSA-N 252.358 2.754 0 1 CFAF CNc1nc2cc3nc(NC)sc3cc2s1 27192257 PMYPIXFISYLJJZ-UHFFFAOYSA-N 250.352 2.989 0 1 CFAF O=C1N=C2SCCCN2/C1=C\C=C\c1ccccc1 135812509 APRBPPZVNUNKCS-VEJZVKIUSA-N 270.357 2.919 0 1 CFAF CC(=O)O[C@@H]1C=C2C(=O)OC[C@H]2[C@]2(C)CCCC(C)(C)[C@@H]12 238761323 WWFISPRTXQEOER-WBOJAVRRSA-N 292.375 2.864 0 1 CFAF CC[C@H](C)N1c2ncccc2NC(=O)c2cccnc21 95613120 WTPGHAXAGHEICW-JTQLQIEISA-N 268.320 2.979 0 1 CFAF N[C@H]1C[C@@H]1c1cccc(NC(=O)c2ccccc2)c1 299853512 LWZOXNDYTWHCNC-CABCVRRESA-N 252.317 2.754 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cnc(O)c(C)c1)[C@@H](C2)C3=O 587436006 LSYVDDZPRQKXBR-LRDDRELGSA-N 297.310 2.593 0 1 CFAF CCS(=O)(=O)c1ccc2nc(C=C3CCC3)[nH]c2c1 587964674 FXULAHRPMPYKCM-UHFFFAOYSA-N 276.361 2.924 0 1 CFAF N[C@@H](c1ccsc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587026445 XLIKWGQQYUUMCA-JTQLQIEISA-N 291.307 2.510 0 1 CFAF CCCc1nc2nc(O)nc(O)c2cc1Cc1ccccc1 587561490 QSHHOUJIWOZMOF-UHFFFAOYSA-N 295.342 2.979 0 1 CFAF Cc1oc2c(c1-c1nc3cc(N)c(N)cc3[nH]1)C(=O)CCC2 586902499 BDEFZIPXIYLZEP-UHFFFAOYSA-N 296.330 2.815 0 1 CFAF Cc1ccc2c(ccc3nc([C@H]4CCOC4)[nH]c32)n1 586912448 SAVDSIFVLJKBBP-JTQLQIEISA-N 253.305 2.923 0 1 CFAF COC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cn1 587245523 VDJPCAVVOMNOGS-UHFFFAOYSA-N 268.276 2.803 0 1 CFAF Nc1cc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2cc1N 586878216 BDYIYVCDJMTOHR-WAYWQWQTSA-N 294.314 2.596 0 1 CFAF CCOc1ccccc1OCc1nc2ccnc(OC)c2[nH]1 587780659 XNSWGBWINZUWBG-UHFFFAOYSA-N 299.330 2.944 0 1 CFAF N[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N=O 957623010 BVZSUYRQFVEUPF-MRVPVSSYSA-N 295.648 2.739 0 1 CFAF C[C@@H](O)[C@]1(C)c2ccsc2CCN1Cc1ccco1 962711725 USYSSLVYBLLJJI-IAQYHMDHSA-N 277.389 2.995 0 1 CFAF CC[C@H](C)C(=O)c1c(O)c(C)c(OC)c(C)c1O 14593807 BHSDENIHTXKOKS-ZETCQYMHSA-N 252.310 2.952 0 1 CFAF COC(C/C=C/[C@@H](O)[C@@H](C)OCc1ccccc1)OC 12478032 VQFCTNUGJJZSHM-VINFDWDVSA-N 280.364 2.518 0 3 CFAF CN[C@@H](C)[C@H]1COC(c2ccccc2)(c2ccccc2)O1 13453561 KZYOIMWXJNGVAU-WMLDXEAASA-N 283.371 2.911 0 1 CFAF CCSc1cc(OC)c(C[C@H](C)NC)cc1OC 13641790 RXMRQMALCRZCOI-JTQLQIEISA-N 269.410 2.966 0 1 CFAF CCCC[C@H](CC)CNC(=O)[C@@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)O 169694004 LDANTJAENASOOT-NJVJYBDUSA-N 293.407 2.842 0 1 CFAF CC(C)(C)c1ccc(CCNc2cc(O)nc(O)n2)cc1 1857608358 BMQLIGYBLIRCMC-UHFFFAOYSA-N 287.363 2.840 0 1 CFAF Cc1ccc(C(=O)n2c(N)nc3ccccc32)cc1 807065 YCHRTVVATAVLJX-UHFFFAOYSA-N 251.289 2.615 0 3 CFAF C[C@H](NC1CCC1)c1onc(-c2cccnc2)c1C(=O)O 2356302359 SUTOWSBTEVBANS-VIFPVBQESA-N 287.319 2.638 0 1 CFAF CC(C)=CCc1ccc(O)c2c1[C@H](CC(=O)O)OC2 2356415389 JHMOWWRDIQXHCN-ZDUSSCGKSA-N 262.305 2.947 0 1 CFAF COc1ccc(C)cc1NC(=O)CNCc1cccs1 4895798 OOFSTBFCUQMXGM-UHFFFAOYSA-N 290.388 2.793 0 3 CFAF COc1cc2c(c3c1OC(C)(C)CC3=O)C[C@H](C)OC2=O 2356396435 KWFWITMTZVXDQD-QMMMGPOBSA-N 290.315 2.540 0 1 CFAF O=C1O[C@H]2[C@H](C[C@H]1Cc1ccccc1)C2(Cl)Cl 101266421 DBRQQOGLJMVSRB-VWYCJHECSA-N 271.143 2.965 0 1 CFAF Cc1nc(N(C)Cc2ccccc2)nc(C(F)(F)F)n1 103282889 OJYKVEAYLPHYDR-UHFFFAOYSA-N 282.269 2.835 0 1 CFAF CC(C)NC[C@H](O)[C@H](C)Oc1ccc2ccccc2c1 28229039 ZBHSIFRWYRQAAI-GUYCJALGSA-N 273.376 2.966 0 1 CFAF Cc1ccc2nc([S@](=O)c3cnc(N)s3)ccc2c1 26502469 HYCWQXPTKXXKHD-LJQANCHMSA-N 289.385 2.749 0 1 CFAF Cc1cn(-c2cc(C)c3[nH]c(=O)cc(C)c3c2)c(C)n1 27636735 HHHRTCPIQRRHOQ-UHFFFAOYSA-N 267.332 2.947 0 1 CFAF O[C@@H](CNC1CCCCC1)COc1ccc2[nH]ccc2c1 28823910 YZOWKVRQSJQCRD-HNNXBMFYSA-N 288.391 2.830 0 1 CFAF in-vitro OCC[C@@]1(c2ccc(Cl)c(Cl)c2)CCCNC1 34560216 NFEQUCGNNCYRCD-ZDUSSCGKSA-N 274.191 2.997 0 1 CFAF N[C@H]1C[C@H]1c1ccccc1NC(=O)c1ccccc1 299853127 GCUCZFAQCSDCOP-KBPBESRZSA-N 252.317 2.754 0 1 CFAF Nc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1 473151588 QUMFHALHGIRCRU-UHFFFAOYSA-N 253.261 2.691 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@H](C)O[C@@H](C)C1)O2 587414603 WIQQFEMOAAHKHS-QWRGUYRKSA-N 275.348 2.869 0 1 CFAF Oc1nc(O)c2ccc(-c3cnc4ccsc4c3)nc2n1 587562968 AFMIHFFKVGSQKC-UHFFFAOYSA-N 296.311 2.713 0 1 CFAF Cc1cc(Cl)cc2nc(C3=C(N)C(C)(C)OC3=O)[nH]c12 587255271 KYFOQJFHYLCXLW-UHFFFAOYSA-N 291.738 2.530 0 1 CFAF Cc1ccc(/C=C/c2nc3c(N)ncnc3[nH]2)cc1F 587146795 WWZVIVKJBKGOCH-SNAWJCMRSA-N 269.283 2.553 0 1 CFAF COc1ccc2c(c1)C[C@H](c1nc3cc[nH]c(=N)c3[nH]1)CC2 587946558 LAKODCHQVLEZKU-LLVKDONJSA-N 294.358 2.652 0 1 CFAF COc1cc2nc(-c3c(C)cccc3OC)[nH]c2cn1 587787111 QDSSXCDOTHSNRQ-UHFFFAOYSA-N 269.304 2.951 0 1 CFAF C[C@H](O)c1ncc(-c2nc3c(F)cnc(Cl)c3[nH]2)s1 587021280 GXFFFZZOAAGGGG-BYPYZUCNSA-N 298.730 2.927 0 1 CFAF COc1cncc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c12 586905222 ZRYSZLWDMJFKFS-AAEUAGOBSA-N 281.315 2.536 0 1 CFAF CC(C)(C)Oc1ccc(O)n1-c1cc(O)cc(C(=O)O)c1 587927907 ZQNQCVAYRKRJNP-UHFFFAOYSA-N 291.303 2.764 0 1 CFAF C[C@H](CCC(=O)O)Cc1nc2ccc(F)c(F)c2[nH]1 587962581 GSOUKKAPGRVAJB-SSDOTTSWSA-N 268.263 2.885 0 1 CFAF CCCc1c(O)ccc2c1O[C@]1(CCOC[C@H]1F)CC2=O 587472595 RTWWWNAGUKWWAW-GDBMZVCRSA-N 294.322 2.807 0 1 CFAF CCn1nc(C)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587389611 BMNVHBFXXMCCJY-HNNXBMFYSA-N 285.347 2.809 0 1 CFAF Cc1nc(C)c([C@@]2(C)NCCc3nc4ccccn4c32)s1 962989467 QHFVCXZGWFTHQO-INIZCTEOSA-N 298.415 2.817 0 1 CFAF COc1cc(C)ccc1-c1nnc(SCCC(=O)O)o1 1857548599 QLXFCPVDNNGKBA-UHFFFAOYSA-N 294.332 2.620 0 1 CFAF Cc1cc2c(cnn2-c2ccc(F)c(F)c2)c(O)n1 1857564117 LVWWZIUMWSJFHE-UHFFFAOYSA-N 261.231 2.713 0 1 CFAF COc1ccc(-c2noc([C@H]3CN4CCC3CC4)n2)cc1 13860860 ZZNJTCSWKZTREI-AWEZNQCLSA-N 285.347 2.554 0 1 CFAF CO[C@]1(C)CCc2c(cc(O)c3c2O[C@](C)(OC)CC3)O1 1857749887 ZAOJFAXLHIBCCY-HOTGVXAUSA-N 294.347 2.767 0 1 CFAF O=C(COc1cccc2ccccc12)NN1CC=CCC1 29567573 FGNUMPCSGCRYHY-UHFFFAOYSA-N 282.343 2.512 0 1 CFAF O=C1C[C@H](O)C[C@@H](CCc2ccc(Cl)cc2Cl)O1 6091932 CEXNFLNQAGNWPV-GHMZBOCLSA-N 289.158 2.993 0 1 CFAF CC(=O)N(C)/C=C/c1ccc(Br)cc1 28705468 OCBLABXGGYBBGX-BQYQJAHWSA-N 254.127 2.898 0 1 CFAF CC(C)[C@@]1(C)OC(N[C@@H](C)c2ccccc2)=NC1=O 28824010 ULVBIABWEWJWQK-XHDPSFHLSA-N 260.337 2.665 0 1 CFAF C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(Cl)c(Cl)c1 56861379 GRQDILLJMSLURW-ISVAXAHUSA-N 290.190 2.925 0 1 CFAF O=C(Nc1ccc(O)cc1)c1cc2cc(O)ccc2[nH]1 27548515 DUIQLHHRQZCTRT-UHFFFAOYSA-N 268.272 2.831 0 1 CFAF O=C1CCC(c2ccc3[nH]c(-c4ccncc4)cc3c2)=NN1 26723025 DJMGFSTUPULYNM-UHFFFAOYSA-N 290.326 2.844 0 1 CFAF CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)cc1F 117255597 CRIBAWCRRRSLKC-UWVGGRQHSA-N 286.734 2.740 0 1 CFAF O=C(C[C@@H]1OC(=O)c2ccccc21)c1ccc(O)cc1 60238833 ZSHGULRKMGLKJC-HNNXBMFYSA-N 268.268 2.877 0 1 CFAF COc1ccc(C(=O)c2ccc3n2CCC[C@@H]3C(=O)O)cc1 25989411 SNYFALKQFAOOEL-ZDUSSCGKSA-N 299.326 2.690 0 1 CFAF C[C@@H]1CCCC[C@@H]1n1c(=O)[nH]c2cnc3[nH]ccc3c21 34808873 KBPMBDUSBIXQRB-SKDRFNHKSA-N 270.336 2.957 0 1 CFAF Cc1cc(Nc2nc3c(s2)CCCc2n[nH]cc2-3)n[nH]1 72120313 GJMAJJZUVKDXAJ-UHFFFAOYSA-N 286.364 2.797 0 1 CFAF O=Cc1ccc([C@@H](C2CCCC2)[C@H]2CC[C@@]3(O)CN23)cc1 85547905 XQLWYOLOCMKXIM-SLZIBOOSSA-N 285.387 2.940 0 1 CFAF biogenic,in-vitro COc1cc2c(cc1C)C(C(C)C)=C[C@@H](O)[C@]2(C)O 95559955 FWTBVJPUVTUZIQ-HZPDHXFCSA-N 262.349 2.625 0 1 CFAF CC(=O)Nc1ccc(Cc2c(O)n[nH]c2C(C)C)cc1 95583164 SSHLFBPALWPGRA-UHFFFAOYSA-N 273.336 2.788 0 1 CFAF O=C1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12CO 238745854 RCMJIRLYWICZMN-YFHUEUNASA-N 286.371 2.790 0 1 CFAF OC[C@@H]1[C@@H]2c3ccccc3NC[C@@H]2N1CC1CCCCC1 95894091 NRWYCJXZGYCIFM-RCCFBDPRSA-N 286.419 2.821 0 1 CFAF COC[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253695596 CCDRAFCULRDJSC-ZEQPMTIDSA-N 268.353 2.628 0 1 CFAF c1cc(-c2csc(N=c3cc[nH]cc3)n2)ccn1 621429316 FOJDFIMWKJPWIP-UHFFFAOYSA-N 254.318 2.766 0 1 CFAF COc1cc2c3c(c1)O[C@](C)([C@H]1CCCOC1)[C@@H](C2)C3=O 587454727 WJQQXBHIHPFNHF-PLQHRBFRSA-N 288.343 2.628 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc[nH]1)O2 587398001 ZRBIPTJCELEIQT-OAHLLOKOSA-N 256.305 2.786 0 1 CFAF COC(=O)c1ccc2nc(Cc3cccc(OC)c3)[nH]c2c1 587930709 JYOPGFMRAXLYHI-UHFFFAOYSA-N 296.326 2.949 0 1 CFAF C=CC(=O)Nc1ccc(-c2nc3cc(N)c(N)cc3[nH]2)cc1 587244725 SIYQORPTTHFWPW-UHFFFAOYSA-N 293.330 2.519 0 1 CFAF N=c1[nH]ccc2nc(CNc3ccccc3Cl)[nH]c12 587062538 UYLMKPOGVCMAIG-UHFFFAOYSA-N 273.727 2.636 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1nccn1C)(C(C)C)O2 587388739 APCBTIMEZIOGHT-KRWDZBQOSA-N 299.374 2.827 0 1 CFAF O=C(O)c1cc2[nH]c(-c3ccc(CO)cc3)nc2cc1F 586895795 ZEMXXODIMOPRDJ-UHFFFAOYSA-N 286.262 2.560 0 1 CFAF CCSC(=O)C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587408351 FSCRETGUZPZXRY-HNNXBMFYSA-N 293.388 2.971 0 1 CFAF OCc1ccc2nc(C3(c4ccccc4O)CC3)[nH]c2c1 586897144 SDRVZKXRLGSACJ-UHFFFAOYSA-N 280.327 2.841 0 1 CFAF CC[C@@]1(CSC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587450148 RQTHCGHUNRRQQS-ABAIWWIYSA-N 278.373 2.954 0 1 CFAF C[C@H](O)Cc1nc2cc(Br)cc(Cl)c2[nH]1 586893775 ZNSAPGMIIYSCRT-YFKPBYRVSA-N 289.560 2.902 0 1 CFAF O=C1C[C@H](c2ncc[nH]2)Oc2c1ccc1c2CCCC1 587523024 FWEFANDDTYNWTH-CQSZACIVSA-N 268.316 2.995 0 1 CFAF COC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1cccnc1 587637256 YWFXOUGAKDGQKJ-UHFFFAOYSA-N 298.273 2.720 0 1 CFAF CC(C)(C)c1ccc2nc(C3(O)CCOCC3)[nH]c2c1 586912227 BKALGQCRJUZZNL-UHFFFAOYSA-N 274.364 2.858 0 1 CFAF Cc1ccc2cccc(OC[C@H](C)CS(C)(=O)=O)c2n1 84210034 UGHGELZOMVGNQY-NSHDSACASA-N 293.388 2.603 0 1 CFAF Oc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1 13740211 SLBRKSWFKKEJBR-UHFFFAOYSA-N 262.312 2.966 0 1 CFAF O=C1c2ccc(O)cc2-c2c3c(cc4ccnc1c24)OCO3 14619804 BCIADXOEPDQMOD-UHFFFAOYSA-N 291.262 2.881 0 1 CFAF Cc1cc(OCc2cc(C)nn2-c2ccccc2)[nH]n1 169346040 OVODKBNMXPZQJR-UHFFFAOYSA-N 268.320 2.791 0 1 CFAF Nc1cccc(Nc2nccc(-c3ccncc3)n2)c1 29558449 MDYKWTJHVLZUAH-UHFFFAOYSA-N 263.304 2.864 0 1 CFAF OC[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccccc1 100854103 WUYUVKDBOCFGRF-YKGQPRCASA-N 255.361 2.545 0 1 CFAF CO[C@@H]1/C=C/C(=O)O[C@@H](C)CCC/C=C\[C@@H]2C[C@H](O)C[C@H]21 102150159 XUHVOYMFCDAZJW-WHSNNUMRSA-N 294.391 2.617 0 1 CFAF COc1ccccc1-c1nc2c(OC)cccc2c(=O)o1 28461164 AHTDZDAKZGIKHO-UHFFFAOYSA-N 283.283 2.872 0 1 CFAF c1nc(N2CCC[C@@H]3CCCC[C@H]32)c2[nH]cnc2n1 20444016 VEHOAXRWERIIOY-WDEREUQCSA-N 257.341 2.512 0 1 CFAF COc1cccc2c1O[C@@H]1c3ccccc3OC(=O)[C@@H]1C2=O 2356676613 VLLJCCABEVTDGI-CZUORRHYSA-N 296.278 2.547 0 1 CFAF C[C@H]1CCC[C@@H](C)[C@@H](O)C=C[C@@](C)(O)CCC(=O)O[C@H]1C 2356727452 OKJSCVKMKIRSLR-CEEVZKBLSA-N 298.423 2.823 0 1 CFAF COc1oc(C2=CCCN(C)C2)nc1CC(C)C 29415945 OMPNFFLRCSKMNB-UHFFFAOYSA-N 250.342 2.601 0 1 CFAF COc1cc(COc2cc(O)cc(O)c2)cc(OC)c1 71316863 WSBLIKDGPMEWBH-UHFFFAOYSA-N 276.288 2.694 0 1 CFAF CC[C@@H](C)Nc1nc(N2CCSCC2)ncc1C 82201727 QKCDZEWDBJSBGT-LLVKDONJSA-N 266.414 2.549 0 1 CFAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@H]1CCc1ccccc1)N2C 95607612 VYZGOBOLWNADBI-NCOADZHNSA-N 287.403 2.891 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccn(C(C)C)n1)[C@@H](C2)C3=O 587432749 RANXYAYIONYMMD-YVEFUNNKSA-N 298.342 2.961 0 1 CFAF Nc1ccc2oc(-c3nc4cnccc4[nH]3)cc2c1 587252696 JRGRHQPBUITRDL-UHFFFAOYSA-N 250.261 2.953 0 1 CFAF COc1cc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2cn1 586884763 ITAGUTHRSFERLP-OUAUKWLOSA-N 283.331 2.605 0 1 CFAF Cc1[nH]c2ccc(F)c(Cl)c2c1Cn1cncn1 587632523 YHZWJEIDABZXNI-UHFFFAOYSA-N 264.691 2.909 0 1 CFAF COc1ccc2c(c1)C[C@@H](c1nc3cc[nH]c(=N)c3[nH]1)CC2 587946559 LAKODCHQVLEZKU-NSHDSACASA-N 294.358 2.652 0 1 CFAF N=c1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2c[nH]1 587153012 UUTQTPKMPOJRGH-DTWKUNHWSA-N 286.285 2.920 0 1 CFAF O=c1c2cc(Cl)ccc2cnn1[C@@H]1CCCC[C@H]1O 587653606 YZIGZTOHXLHPEN-CHWSQXEVSA-N 278.739 2.526 0 1 CFAF CCOC(=O)[C@H](F)c1cc2c3c(cccc3n1)CC2 587210627 SQTFYEHAVLEASE-CQSZACIVSA-N 259.280 2.907 0 1 CFAF CC(C)[C@@H](c1nc2cc(Br)cnc2[nH]1)N(C)C 587198772 OLLFPIHXDJTJLY-JTQLQIEISA-N 297.200 2.979 0 1 CFAF N[C@H](N=O)c1ccc(Cn2cnc3ccccc32)cc1 958579517 JRZLNDOFMZHCPH-OAHLLOKOSA-N 266.304 2.808 0 1 CFAF CC(=O)NC[C@@]1(C)NCCc2cccc(-c3ccccc3)c21 962670151 QIXPXHOQXWDJJE-LJQANCHMSA-N 294.398 2.851 0 1 CFAF CC1=N/C(=C\c2cccc3ccccc23)C(=O)N1CC(=O)O 1772618123 HQRUNDIKVUHQLV-DHDCSXOGSA-N 294.310 2.526 0 1 CFAF C[C@@H]1CCC[C@@H](NC(=O)Cn2cc3c(n2)CCCC3)[C@@H]1C 5147321 QJQZQVNDYFHFLT-UMVBOHGHSA-N 289.423 2.703 0 1 CFAF CC(=O)OCC1=CC=C[C@@]2(C)C=C3OC(=O)C(C)=C3C[C@@H]12 14452399 MLJSUGCNCCUCNK-YOEHRIQHSA-N 286.327 2.829 0 1 CFAF CCCCn1[nH]c(C)c(C(=N)c2ccccc2)c1=O 169330029 FTAKIQVKAODUCN-UHFFFAOYSA-N 257.337 2.701 0 1 CFAF O[C@H]1O[C@@H](c2ccco2)C(F)(F)C(F)(F)C1(F)F 1654471 XICDCMDCHMIBAQ-WDSKDSINSA-N 276.132 2.575 0 1 CFAF C[C@@]12CCCCS[C@@H](Cc3ccc(O)cc31)[C@H]2N 3951182 JMUFDGSVPLYBAQ-RRFJBIMHSA-N 263.406 2.819 0 1 CFAF O=C1Nc2cc(Cl)ccc2C(=O)[C@@H]1C(=O)c1ccccc1 100743931 PJYFZSCHAYROEU-ZDUSSCGKSA-N 299.713 2.974 0 1 CFAF COc1nn(Cc2ccc(Oc3ccccc3)cc2)c(=O)o1 103287200 SANFQHYDLLLXLM-UHFFFAOYSA-N 298.298 2.686 0 1 CFAF CCCC[C@@H](O)c1cccc(NC(=O)NC(=O)CC)c1 53298382 FITXBCSXIVVTRD-CYBMUJFWSA-N 278.352 2.968 0 1 CFAF CCO[C@H]1OC(=O)c2[nH]cc3nc4ccccc4c-3c21 100728960 DCTWSQJJZYDQIU-HNNXBMFYSA-N 268.272 2.873 0 1 CFAF Nc1onc(-c2ccc(F)cc2)c1-c1ccncn1 117400043 BKBYSKGMHADPJD-UHFFFAOYSA-N 256.240 2.520 0 1 CFAF CC(C)(C)CC[C@H]1C[C@@H](c2cc(=O)[nH]o2)CCN1 114144771 UQUXRYFBAUAUQO-QWRGUYRKSA-N 252.358 2.630 0 1 CFAF CN1[C@H]2CC[C@@H]1CC(NC(=O)c1cn(C)c3ccccc13)C2 29566240 WIQYPYDXKSCUQF-AGUYFDCRSA-N 297.402 2.533 0 1 CFAF COc1cc2oc(=O)ccc2cc1C=CC(C)(C)O 2356553039 LNFVZUMSDAIQDQ-UHFFFAOYSA-N 260.289 2.586 0 1 CFAF Cc1cccc2c1C[C@H]1Sc3nnc(C(C)C)n3N=C21 72118024 LJNUBFIGLNGKLY-GFCCVEGCSA-N 284.388 2.993 0 1 CFAF Cc1cc(=O)oc2c(C)c(O[C@@H]3CCCC3=O)ccc12 45495794 UULMOUNYGUBRNG-CQSZACIVSA-N 272.300 2.910 0 1 CFAF COc1c(C)c(CC(=O)O)c(OC)c2ccccc12 141996918 OSVWCEJPZZLXLT-UHFFFAOYSA-N 260.289 2.793 0 1 CFAF Cn1nc2c3c(n(C)c4cccc(c1=O)c34)CC(C)(C)C2 146771424 BOXOMXHNNVWHMZ-UHFFFAOYSA-N 281.359 2.550 0 1 CFAF O=C(O)c1cc2cc(-c3ccccc3)n(O)c2cc1C(=O)O 653848317 RMLIQAFUAVUHLJ-UHFFFAOYSA-N 297.266 2.942 0 1 CFAF Cc1ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2n1 586900476 CNGORBVOICSJNW-JSGCOSHPSA-N 265.316 2.835 0 1 CFAF Cc1ocnc1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587876011 XYFYXGHZJYQYQN-UHFFFAOYSA-N 285.234 2.780 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccncc1F)[C@@H](C2)C3=O 587428674 PYWBJGSVGOPTLF-ZBEGNZNMSA-N 285.274 2.718 0 1 CFAF N=c1[nH]cc2nc(-c3ncsc3-c3ccccc3)nc-2[nH]1 587027373 CQQBCXZFMUXUPB-UHFFFAOYSA-N 294.343 2.508 0 1 CFAF COc1cc(OC)c2nc(-c3cccnc3N(C)C)[nH]c2c1 587195872 MCGXQNGPWDDGNN-UHFFFAOYSA-N 298.346 2.708 0 1 CFAF CC1(C)OC(=O)C[C@@H]1c1nc2cc(F)cc(F)c2[nH]1 586909748 MASQEFSMPLQUCY-SSDOTTSWSA-N 266.247 2.650 0 1 CFAF O=c1ccc2cc([C@@H]3NCCc4ccc(O)cc43)ccc2o1 963353750 SHCJDCBNFMALHT-SFHVURJKSA-N 293.322 2.734 0 1 CFAF O=C(O)/C=C/[C@H](O)c1ccc(OCc2ccccc2)cc1 1772576848 WJUMJGWNNNEGCB-OFAQMXQXSA-N 284.311 2.940 0 1 CFAF CCCCCNC1=NCCN1OCc1ccccc1C 13539071 NAAGDQQYDUOOHV-UHFFFAOYSA-N 275.396 2.878 0 1 CFAF CO[C@H](c1c[nH]cn1)c1sccc1Br 13862254 XVGBCLJGMXHPIV-MRVPVSSYSA-N 273.155 2.970 0 1 CFAF CC(C)(C)Nc1cc(NC(=O)c2ccccc2)ncn1 169303737 AMSIBMLVPJEARM-UHFFFAOYSA-N 270.336 2.939 0 1 CFAF O=C(NCc1ccc(Cl)cc1)[C@@H]1COc2ncccc21 205620592 FMOPHLXDWYWPJV-CYBMUJFWSA-N 288.734 2.527 0 1 CFAF Cc1ccc(CCSc2nc(O)cc(O)n2)cc1 1857590590 GRGMQJDZCJASMY-UHFFFAOYSA-N 262.334 2.531 0 1 CFAF O=C1CC[C@@]2(c3ccc(Cl)cc3)OCCCN12 3636664 ARVSFTLWQNLALI-ZDUSSCGKSA-N 251.713 2.536 0 1 CFAF Oc1ccc2c(c1)O[C@@H](CNCc1ccccc1)CC2 13527706 DWUAAOIZQFTYQP-MRXNPFEDSA-N 269.344 2.876 0 1 CFAF in-vivo CCN1c2ccc3c(ccc(=O)n3C)c2C(=O)CC1(C)C 103234298 AHPMMUHKPNZZDS-UHFFFAOYSA-N 284.359 2.730 0 1 CFAF O=C(O)Cc1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O 26394008 MKUQSXFTSJZNOF-KBXCAEBGSA-N 298.338 2.598 0 1 CFAF C[C@@H]1[C@@H](c2ccccc2)OBN1Cc1ccccc1 2356316507 SKHWVMVDOZXHIN-CJNGLKHVSA-N 251.138 2.915 0 1 CFAF COc1cccc(Cn2c(=O)oc3ccc(C)cc32)c1OC 64539411 XBYPJWBKHWLEOE-UHFFFAOYSA-N 299.326 2.968 0 1 CFAF CC(=O)c1c(C)c2c([nH]c1=O)CC[C@H](c1ccncc1)C2 27110099 RAEAJTHPRXWYMJ-ZDUSSCGKSA-N 282.343 2.553 0 1 CFAF CC1(C)C[C@@H]2[C@H](O)c3cocc3[C@@](C)(O)C[C@H]2C1 2356737781 DVUNYSPYMVWYHH-BILRFKGYSA-N 250.338 2.977 0 1 CFAF Cc1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1O 64504083 BTIKYUUNPGWLNG-UHFFFAOYSA-N 283.335 2.670 0 1 CFAF Cc1cc2c(cc1C)[n+]([O-])c(Cc1ccccc1)c(C)[n+]2[O-] 71316445 KDYQMYRJNUEYGA-UHFFFAOYSA-N 294.354 2.623 0 1 CFAF C/C(=C/C=C/c1ccccc1)[C@H](O)C(C)(C)C(N)=O 40395100 YSFDTLGVPLFRNN-FIDDZMBESA-N 259.349 2.519 0 1 CFAF Cc1ccc2[nH]cc([C@]3(O)C(=O)Nc4ccccc43)c2c1 225177715 JNQVKONRBBFYIB-KRWDZBQOSA-N 278.311 2.664 0 1 CFAF CNc1ccc([C@@](C)(O)c2ncnc3ccccc23)cc1 199275045 JMNOMTQAYXZADJ-QGZVFWFLSA-N 279.343 2.927 0 1 CFAF COC(=O)[C@H]1[C@H](Cc2ccccc2)C[C@H]2CC[C@H]1N2C 146490229 YHWZJYKIOUHJGH-FPCVCCKLSA-N 273.376 2.501 0 1 CFAF CCCc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1 149943802 FAXHLOSHIRXFOH-MRXNPFEDSA-N 298.390 2.834 0 1 CFAF C/C(=C\CC[C@@]1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31C(=O)O)C(=O)O 238760224 MZGNQYVCSIVGIM-ABPWGBHVSA-N 264.321 2.544 0 1 CFAF CN(Cc1cccnc1)[C@H]1[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42 299845705 QHQJBDOHEUWLBB-QDAZCEPVSA-N 266.388 2.660 0 1 CFAF N=c1cc2nc(-c3cc(N)cc4ccccc34)[nH]c2c[nH]1 587252511 YGDHGTQVGPPTIT-UHFFFAOYSA-N 275.315 2.773 0 1 CFAF Oc1cccc2c1OCC(c1nc3ccncc3[nH]1)=C2 586909408 YHINCZWCQTVJHP-UHFFFAOYSA-N 265.272 2.597 0 1 CFAF Cc1cc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c2cc1F 587250020 WOVFXODIAAGKLE-UHFFFAOYSA-N 285.278 2.958 0 1 CFAF COc1cc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2cn1 586900446 CBXFCSQOWMGFAU-FZMZJTMJSA-N 281.315 2.536 0 1 CFAF Cc1oc(-c2ccsc2)nc1Cc1nc2ncc[nH]c-2n1 587026311 BUMOMLXHCRFGEV-UHFFFAOYSA-N 297.343 2.920 0 1 CFAF CC[C@@]1([C@H](C)C(=O)OC)CC(=O)c2cc(C)cc(N)c2O1 587400288 QBSIAKWLVUIWTE-HWPZZCPQSA-N 291.347 2.500 0 1 CFAF Cc1ccc2nc([C@H](C)n3cc(Cl)cn3)[nH]c2n1 587081586 CUPRCRDOEXUCGQ-QMMMGPOBSA-N 261.716 2.726 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn3nccc13)O2 587394604 IQCCIOXNRGOQQQ-MRXNPFEDSA-N 293.326 2.931 0 1 CFAF OCc1ccc2nc(CCOCc3ccccc3)[nH]c2c1 587566545 SBDWRUAJIQAGGN-UHFFFAOYSA-N 282.343 2.815 0 1 CFAF CC[C@H]1OCCC[C@@H]1c1nc2ccc(CCO)cc2[nH]1 586908706 CQZHWGLTIFLNLP-SWLSCSKDSA-N 274.364 2.770 0 1 CFAF CC(=O)c1ccc2c(c1)C(=O)c1ccc(C(=O)O)cc1CC2 169347777 UHCXEJMVDDGVEZ-UHFFFAOYSA-N 294.306 2.917 0 1 CFAF CCCCCC[C@@]1(c2ccccc2)NC(=O)NC1=O 13797017 QUCQUPBUCULYGF-HNNXBMFYSA-N 260.337 2.692 0 1 CFAF in-vivo O=c1c2cccc(Cl)c2ccn1[C@@H]1CN2CCC1CC2 13832768 NKRFEGYSIMGGQV-OAHLLOKOSA-N 288.778 2.922 0 1 CFAF CCC[C@H](O)C[C@@H]1CCC[C@H](C[C@H](O)CCC)N1C 14860190 BEHRYCYNRCQBOK-GEEKYZPCSA-N 271.445 2.942 0 1 CFAF O=C1NC(=O)C(c2ccccc2Cl)=C1Nc1ccccc1 14945976 YCZJWFJXVYDVJB-UHFFFAOYSA-N 298.729 2.820 0 1 CFAF Cc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1 1857548393 FHAIDHJKDKGNGB-ZDUSSCGKSA-N 288.347 2.693 0 1 CFAF OCCNc1nnc(-c2ccccc2)c(-c2ccccc2)n1 3152025 XKASOGUPCWKZDU-UHFFFAOYSA-N 292.342 2.610 0 3 CFAF CC(C)Sc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1 103853456 HVXNYUYLHOSRSN-UHFFFAOYSA-N 286.360 2.561 0 3 CFAF O=C1c2ccccc2C(=O)N1CC1Cc2ccccc2C1 29244622 OLKZKAAXHWDZPX-UHFFFAOYSA-N 277.323 2.698 0 1 CFAF O=C1O[C@H]2[C@@H](C[C@@H]1Cc1ccccc1)C2(Cl)Cl 26576059 DBRQQOGLJMVSRB-AXFHLTTASA-N 271.143 2.965 0 1 CFAF CCCCCC/N=c1/cc(C)oc(O)c1C(C)=O 102597995 OVFJASKSVIZLPR-QINSGFPZSA-N 251.326 2.977 0 1 CFAF CCc1ccc(O[C@H](C)[C@@H](O)CNC(C)(C)C)cc1 28227910 DWGXLLQFKBFURM-DOMZBBRYSA-N 265.397 2.765 0 1 CFAF Cc1nccn1[C@H]1COc2ccc(Cl)cc2C1=O 27328013 FESQCDFGWJDMHB-NSHDSACASA-N 262.696 2.661 0 1 CFAF CCCCN1C(=O)CC[C@](CC)(c2ccncc2)C1=O 26644687 ADGORZBWFVODME-MRXNPFEDSA-N 274.364 2.679 0 1 CFAF CCCCOC(=O)CCC(=O)c1ccc([C@H](C)O)o1 2356628966 MUODHDJZQZKAKK-JTQLQIEISA-N 268.309 2.639 0 1 CFAF S=c1[nH]nc2n1CCN2c1ccc(Cl)cc1 40980982 GXPAIUJQRGQYNJ-UHFFFAOYSA-N 252.730 2.746 0 1 CFAF COc1ccc(CN2C(=O)C(=O)c3cccc(F)c32)cc1 40827951 AUMJQXBQXUTIQR-UHFFFAOYSA-N 285.274 2.564 0 1 CFAF CNC[C@]1(O)Cc2ccccc2[C@H]1Oc1ccccc1C 40860557 YIEXSVBTWQZEGZ-QZTJIDSGSA-N 283.371 2.622 0 1 CFAF Nc1ncc([C@@H]2C[C@H]3CC[C@H]2N3)cc1-c1ccccc1 253638667 ABSIBSJUOJFQHU-IJEWVQPXSA-N 265.360 2.939 0 1 CFAF O=C1OC[C@@H]2[C@@H]1[C@@H]1c3ccccc3[C@H](O)c3ccccc3[C@H]21 254076693 KAFDISJYHBMFEQ-YYWYGQEZSA-N 292.334 2.752 0 1 CFAF Cc1cc(-c2ccccc2)nn(CCCCCC(=O)O)c1=N 377453219 LGJOKXBKPXCOFZ-UHFFFAOYSA-N 299.374 2.983 0 1 CFAF CC(=O)c1cnn(C)c1-c1cc2c3c(cccc3n1)CC2 587211155 MHJRTEWDFQEFRZ-UHFFFAOYSA-N 277.327 2.937 0 1 CFAF O=C1CCC[C@@H](c2nc3cc4c(cc3[nH]2)OCCO4)CC1 586888624 WWQCSGOEENKURP-SNVBAGLBSA-N 286.331 2.951 0 1 CFAF Cc1cc(Cl)cc2nc([C@H](O)C(C)(C)CO)[nH]c12 586901092 OQTDPOPABFMKEP-NSHDSACASA-N 268.744 2.577 0 1 CFAF COC(=O)[C@@H](C)c1nc2cccc3c2c(c1C)CC3 587215051 ZREKJFPNKNMKQC-JTQLQIEISA-N 255.317 2.918 0 1 CFAF C=C(NC(C)=O)c1nc2ccc(C(F)(F)F)cc2[nH]1 587204642 YQYZBMKNMPPPBM-UHFFFAOYSA-N 269.226 2.689 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@]1(C)CCCO1)O2 587410922 HLFCCOZYSCLDOT-CVEARBPZSA-N 275.348 2.870 0 1 CFAF CC(C)(Cl)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587007970 JYYUINFQDAEZCZ-UHFFFAOYSA-N 250.689 2.619 0 1 CFAF COc1cnc(-c2nc3ccncc3[nH]2)cc1Cl 587065355 YCKQCGRYNXIKFH-UHFFFAOYSA-N 260.684 2.682 0 1 CFAF Nc1cccc(O)c1-c1nc2c(F)cnc(Cl)c2[nH]1 587251120 ZKMDLHUNZCRWOP-UHFFFAOYSA-N 278.674 2.705 0 1 CFAF Cc1cnc(Cl)c2[nH]c(-c3cc(N)c(N)cc3F)nc12 587136661 UXFWTXGQVNKOJX-UHFFFAOYSA-N 291.717 2.890 0 1 CFAF O=C1C[C@@]2(CC=COC2=O)Oc2c1ccc1c2CCCC1 587534515 DZVHUBGQCPHLPC-QGZVFWFLSA-N 284.311 2.730 0 1 CFAF Fc1cccc([C@H]2C[C@@H]2c2nc3cncnc3[nH]2)c1F 587152830 SFIYVZODARALFY-BDAKNGLRSA-N 272.258 2.902 0 1 CFAF Oc1nc(O)c2ccc(/C=C/c3ccccc3)nc2n1 587560479 CGFIKMSLEIAMEJ-VOTSOKGWSA-N 265.272 2.606 0 1 CFAF CCOC(=O)Cc1ccc2nc([C@](C)(O)C(C)C)[nH]c2c1 586886355 FWHIIEJAYOAYGP-MRXNPFEDSA-N 290.363 2.532 0 1 CFAF CN1CCc2cnn(C)c2[C@H]1[C@@H]1C[C@H]1c1ccccc1 963954175 HCIIDKMRHCNXTI-ZMSDIMECSA-N 267.376 2.753 0 1 CFAF O[C@@H](C[C@@H]1c2ccccc2-c2cncn21)c1ccncc1 203791308 RLYSBDKKQFJXQY-WBVHZDCISA-N 277.327 2.972 0 1 CFAF O=C1c2ccccc2C2=NC(=S)N[C@H](c3ccccc3)[C@H]12 169726028 ORDBGAKTGTYTFW-UONOGXRCSA-N 292.363 2.918 0 1 CFAF c1cc(-c2ccnc3ccc(=NC4CC4)[nH]c23)ccn1 1857637052 XDUHEQSESCQHKL-UHFFFAOYSA-N 262.316 2.688 0 1 CFAF CC(C)(C)OC(=O)NC[C@@H](O)/C=C/c1ccccc1 33979681 MEOSIMPINRVPEQ-LXKVQUBZSA-N 263.337 2.585 0 1 CFAF O=c1[nH]cc(SCc2ccc(F)c(F)c2)cc1O 206400652 LMHNEMSKUGHWRS-UHFFFAOYSA-N 269.272 2.651 0 1 CFAF Nc1nc2ncncc2cc1-c1ccccc1Cl 27308503 IBMXXFJXRJZOGS-UHFFFAOYSA-N 256.696 2.927 0 1 CFAF c1cncc(-c2ccc3c(c2)C[C@H]2CNC[C@H]3C2)c1 100059085 MMBSWSRTSFXQOO-MLGOLLRUSA-N 250.345 2.998 0 1 CFAF Cc1ccc(C(=O)C(Cn2ccnc2)Cn2ccnc2)cc1 28874399 BNFNEIRZUIQFCU-UHFFFAOYSA-N 294.358 2.587 0 1 CFAF O[C@H](CNC1CCCCC1)COc1ccc2[nH]ccc2c1 28823911 YZOWKVRQSJQCRD-OAHLLOKOSA-N 288.391 2.830 0 1 CFAF in-vitro CCCCN1C[C@H](C)[C@@H](CC(=O)Nc2ccccc2)C1=O 61923314 AWWOUKXGTIACFR-DZGCQCFKSA-N 288.391 2.910 0 3 CFAF Nc1ncnc2c1N=C(c1cccc(Cl)c1)CCN2 29049588 AYMFCWIRJCXDQO-UHFFFAOYSA-N 273.727 2.649 0 1 CFAF Cc1cccc(N)c1C[S@](=O)c1nc2ccccc2[nH]1 28227188 ZYKOAVUBGMCLPJ-HXUWFJFHSA-N 285.372 2.761 0 1 CFAF Fc1ccccc1Cn1nnc2c(NC3CC3)nccc21 27410314 LEINOYXBRPBQFN-UHFFFAOYSA-N 283.310 2.588 0 1 CFAF Cc1ccc(C(N)=O)cc1-c1ccc2c(c1)NC(=O)C2(C)C 115621020 WZEJGTWJMAMZCB-UHFFFAOYSA-N 294.354 2.991 0 1 CFAF COc1cccc(NC(=O)[C@@]2(C)CCN2C(C)C)c1OC 61903225 WUCVTTIFZJWPSK-MRXNPFEDSA-N 292.379 2.515 0 3 CFAF NS(=O)(=O)c1ccc(/C=C/c2cccs2)cc1 64560756 OZEBJQJPQRQDDH-ZZXKWVIFSA-N 265.359 2.566 0 1 CFAF in-vivo CC(C)(O)c1cncc(-n2ncc3cccc(F)c32)c1 210239833 TVUFOCSAPIPYJV-UHFFFAOYSA-N 271.295 2.787 0 1 CFAF c1ccc(Cn2nnnc2-c2cccc3cccnc23)cc1 34657535 RXTNTKSLBZAYRF-UHFFFAOYSA-N 287.326 2.937 0 1 CFAF COc1ccc(-c2ccc(-n3cc(C(=O)O)cn3)nc2)cc1 40584767 MIZVUJCCUVZBTH-UHFFFAOYSA-N 295.298 2.641 0 1 CFAF CC(=O)c1c(CCC(C)C)cc(O)c2c1C[C@@H](O)CC2=O 238763352 JFILTNJCAAYNBY-GFCCVEGCSA-N 290.359 2.673 0 1 CFAF O=C1N[C@H](c2ccc(Cl)cc2)Nc2ncccc21 473088658 JBJHRALZMBCUCU-LLVKDONJSA-N 259.696 2.589 0 1 CFAF CC(C)(SCc1nc2cc(Cl)cnc2[nH]1)C(=O)O 586958403 FKERTMYLWYCBLH-UHFFFAOYSA-N 285.756 2.708 0 1 CFAF Nc1nccnc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587511479 QEPUWLZPQUIZOF-AWEZNQCLSA-N 295.342 2.644 0 1 CFAF CC(C)[C@@H](c1nc2ccnc(Br)c2[nH]1)N(C)C 587198227 CIDWCGWVYKTMRF-JTQLQIEISA-N 297.200 2.979 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)[C@@H](Cc1ccccc1)CC3 587562333 WVSOFLHRZQGADD-LLVKDONJSA-N 293.326 2.709 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1occc1OC)[C@@H](C2)C3=O 587455255 KZTCWMSCISSIOG-BONVTDFDSA-N 286.283 2.786 0 1 CFAF Cc1ccc2c(c1)CC[C@@]21NCCc2nc3ccccn3c21 962992869 ZFISACRHYSTINE-LJQANCHMSA-N 289.382 2.978 0 1 CFAF CC1(C)O[C@@H]2[C@@H](C=C[C@]23NCCc2cccc(Cl)c23)O1 963389605 CIVUWLXBMWBDAG-XNRPHZJLSA-N 291.778 2.771 0 1 CFAF COc1ccc(C(=O)Sc2cccnc2C(=O)O)cc1 169323687 PJJGEVDSAJZJHT-UHFFFAOYSA-N 289.312 2.721 0 1 CFAF c1ccc2[nH]c(-c3ccc(NC4=NCCNC4)cc3)nc2c1 1772606977 PXVOYJHKSHCHIN-UHFFFAOYSA-N 291.358 2.644 0 1 CFAF CCOc1cccc(-c2nc3cc(C(=N)N)ccc3[nH]2)c1O 13444345 LNZOGIFQFBYRHJ-UHFFFAOYSA-N 296.330 2.618 0 1 CFAF O=C(Sc1cccnc1C(=O)O)c1ccccc1 169319413 KBMQPIKLGBJKOX-UHFFFAOYSA-N 259.286 2.712 0 1 CFAF CCOC(=O)c1c[nH]c2ncnc(-c3ccc(C)c(N)c3)c12 206726421 KGAFXLBEPZNOQZ-UHFFFAOYSA-N 296.330 2.692 0 1 CFAF CC(=O)c1c2c(c3ccccc3c1O)O[C@H]1OCC[C@@H]21 205741913 SIHVIONEGYDVAJ-MEDUHNTESA-N 270.284 2.970 0 1 CFAF C[C@H]1Cc2ccc(-c3nc[nH]c4nccc3-4)cc2[C@@H]1NC#N 1857765301 FOOVWQSSBRMHTG-ZUZCIYMTSA-N 289.342 2.880 0 1 CFAF NN1CCC2(CC1)O[C@@H](c1ccccc1)c1ccccc12 33828774 ZQBMIDLBCFJEFK-KRWDZBQOSA-N 280.371 2.971 0 1 CFAF CCO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1ccsc1 103348081 KLKINMKHBTXFDI-SPQRFVMMSA-N 282.390 2.944 0 1 CFAF COC(=O)C/C=C1/c2ccc3c(c2[C@@H](OC)[C@H]1C)OCO3 102888444 ZQDNTSRZBRBSHA-ABHHDOOYSA-N 290.315 2.699 0 1 CFAF CCc1cc(CCC2=N[C@H]3CCCC[C@@H]3O2)c(=O)[nH]c1C 28088111 IAXQRZNSWJVLEQ-GJZGRUSLSA-N 288.391 2.918 0 1 CFAF O=c1occ(C(F)(F)F)cc1Cc1ccc(O)cc1 29243624 CJBGMTDYYJWIDU-UHFFFAOYSA-N 270.206 2.955 0 1 CFAF COc1cc2c(cc1C(F)(F)F)[C@H](C)CNCC2 28119634 VZPBGKYNLKOIBH-MRVPVSSYSA-N 259.271 2.963 0 1 CFAF CCCN1CCC=C2c3c(OC)cccc3OC[C@@H]21 27849110 DUCWFBXYQNVRNF-ZDUSSCGKSA-N 259.349 2.955 0 1 CFAF CN1CCc2cc3c(C(F)(F)F)cc(=O)n(C)c3cc21 27854097 SVBHSODGQZPTDM-UHFFFAOYSA-N 282.265 2.550 0 1 CFAF CSc1cc(CC(=O)O)n(C)c1C(=O)c1ccccc1 28225917 GAIYLNFUPPLXIG-UHFFFAOYSA-N 289.356 2.605 0 1 CFAF C[C@H]1[C@@H]2C3=CC=CC[C@@H]3[C@@H](Cc3ccccc32)N1CCO 27526942 YTSBJXNNZPIKFL-IVJVFBROSA-N 281.399 2.894 0 1 CFAF C=CC(C)=C[C@@H](C)C(=O)CCCC1CC(=O)NC(=O)C1 2356794486 HXVGNHDNCOEZLJ-GFCCVEGCSA-N 277.364 2.547 0 1 CFAF Nc1c(C=O)c(-c2ccccc2)nn1-c1ccccc1 34487378 ZTJGLCUCUXIJGP-UHFFFAOYSA-N 263.300 2.934 0 1 CFAF CO[C@]1(C)Cc2ccc3c(=O)c(C)c(C)oc3c2CO1 33835485 DAPPTUOQTOLWOO-INIZCTEOSA-N 274.316 2.845 0 1 CFAF COc1cncc(-c2cc3c4c(c2)CCC(=O)N4CCC3)c1 71296781 LKBRKMQJZIRRBL-UHFFFAOYSA-N 294.354 2.983 0 1 CFAF CNC[C@H](O)[C@H](c1ccccc1)n1ccc2cc(F)ccc21 38207433 FKDKUDMUXGCBLI-ROUUACIJSA-N 298.361 2.950 0 1 CFAF CNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccccc1C 40394704 VIHUCKRDYCSWQL-MSOLQXFVSA-N 284.403 2.753 0 1 CFAF Nc1nc(-c2ccco2)nc2sc(CNC3CC3)cc12 140557144 WUIJOMASCIDKAR-UHFFFAOYSA-N 286.360 2.786 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C)nc1)O2 587394644 XQMYWPWEUCIVIX-HNNXBMFYSA-N 268.316 2.987 0 1 CFAF CCOC(=O)CCc1cc2c3c(cccc3n1)CC2 587211423 FUTNIQBKRDWDAE-UHFFFAOYSA-N 255.317 2.829 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N)c(N)c1)O2 587389605 LOJYIWYXUAIVDW-KRWDZBQOSA-N 297.358 2.622 0 1 CFAF CNC(=O)[C@@H]1C[C@H]1c1nc2cccc(C(C)(C)C)c2[nH]1 587233782 AMXHUKJQPJKERD-NXEZZACHSA-N 271.364 2.710 0 1 CFAF CC1([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)COC1 587530172 BGBUETBCGUSFMM-HNNXBMFYSA-N 272.344 2.936 0 1 CFAF Nc1ccnc2[nH]c(CCc3ccccc3Cl)nc12 587059391 RHEGAKZATJQOEY-UHFFFAOYSA-N 272.739 2.979 0 1 CFAF CCOC(=O)[C@@H]1[C@H]2Cc3nc4cccc5c4c(c3[C@H]21)CC5 587214763 UJWSJKDKCZLNTL-MZPVMMEZSA-N 279.339 2.782 0 1 CFAF O=C(O)c1cccc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c12 586886400 PONOYUZFEXDFAC-OUAUKWLOSA-N 296.326 2.900 0 1 CFAF CC(=O)Nc1cccc(Cc2nc3cc(C)cnc3[nH]2)c1 587241918 FASFBHVEYMPBLW-UHFFFAOYSA-N 280.331 2.816 0 1 CFAF COc1cnccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587395114 OSYSSOACCZCXDX-CQSZACIVSA-N 284.315 2.687 0 1 CFAF COc1cc(-c2nc3c([nH]2)CCCC3)cc(OC)c1O 1857603668 FWLXXMYXVXNWNA-UHFFFAOYSA-N 274.320 2.678 0 1 CFAF C[C@H]1C(c2ccccc2)=NN(c2ccccc2)[C@@H]1CO 13813797 MXWJNACYBOPHIO-CZUORRHYSA-N 266.344 2.908 0 1 CFAF COc1ccc2c(c1)C(n1ccccc1=O)=CC(C)(C)C2=O 13832154 JNMWMEDZJMIQPT-UHFFFAOYSA-N 295.338 2.969 0 1 CFAF COc1c2c(cc3nc4occc4c(OC)c13)OCO2 15222451 GJMFVFKPADGXCP-UHFFFAOYSA-N 273.244 2.727 0 1 CFAF Cn1nc(-c2cccc3ccccc23)c2c(N)ncnc21 169702799 HTNPEYORVSYSHK-UHFFFAOYSA-N 275.315 2.766 0 1 CFAF N=C(N)c1cc2c(Nc3ncccn3)cccc2s1 8987 YYDRYCVJBHTEEY-UHFFFAOYSA-N 269.333 2.719 0 1 CFAF O=c1[nH]c(Nc2ccc(Cl)c(Cl)c2)nc2[nH]ncc12 26905 DAMCHDMAYLXCTG-UHFFFAOYSA-N 296.117 2.697 0 1 CFAF CN(C)CCCn1c(=S)[nH]c2cc(Cl)ccc2c1=O 7328628 BEXBLQHZZOBULC-UHFFFAOYSA-N 297.811 2.664 0 1 CFAF CCn1c(=O)ccc2c3c(ccc21)N(C)C(C)(C)CC3=O 103234305 GMDIONLOWVEHDQ-UHFFFAOYSA-N 284.359 2.823 0 1 CFAF Cc1n[nH]c(C)c1CCN(C)C[C@H]1Cc2ccccc2O1 20864607 GGRHMUKAWXZAON-OAHLLOKOSA-N 285.391 2.505 0 1 CFAF CC(C)Oc1cccc2c1N=C(NCC(F)F)N[C@H]2C 29130901 ADOGGHZNEGBRNB-VIFPVBQESA-N 283.322 2.980 0 1 CFAF COc1cccc(-c2[nH]c(-c3ccncc3)cc2C(N)=O)c1 64527532 GQGDIBZCZVAYNM-UHFFFAOYSA-N 293.326 2.851 0 1 CFAF CCCc1cc2c(cc1O)O[C@@H](C)[C@@H](n1ccnc1)C2=O 27331258 FEKOZEVFHOOMHA-ZUZCIYMTSA-N 286.331 2.746 0 1 CFAF CCCC=CC[C@]1(O)C2=C3[C@H](CC[C@@H]3C[C@@H]1C)NC(=N)N2 2356573684 WTICYUAMPJXZON-PFHKOEEOSA-N 289.423 2.664 0 1 CFAF CN(C)CCCOc1ccc(-c2ccc3nccn3c2)cn1 61902777 VRTJSMQCYCQYNQ-UHFFFAOYSA-N 296.374 2.727 0 3 CFAF Fc1ccccc1Cc1nc(-c2ncn[nH]2)n2ccccc12 73196264 PCAFFUOGNJPMSD-UHFFFAOYSA-N 293.305 2.849 0 1 CFAF Cc1cccc(C(=O)n2nc(CO)c3ccccc32)c1 96913719 YLFNHKPCDVIZLB-UHFFFAOYSA-N 266.300 2.526 0 1 CFAF CCC(=O)c1c(O)cccc1OCCCN1CCCC1 95558657 OINMETWXJVASAK-UHFFFAOYSA-N 277.364 2.850 0 1 CFAF O=Cc1cn(Cc2cc(-c3ccccc3)cnc2Cl)nn1 299862500 NDTMSHGVMYQEBS-UHFFFAOYSA-N 298.733 2.854 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccc(C=O)cc1)[C@@H](C2)C3=O 587443733 BLOSOKYHJQDSNJ-KSSFIOAISA-N 294.306 2.996 0 1 CFAF CCN1CCC([C@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 587395463 MHBMCSJEERGSNE-MRXNPFEDSA-N 288.391 2.643 0 1 CFAF COc1cccc([C@@H](C)Cc2nc3c(N)ccnc3[nH]2)c1 587930455 IKIUYAYTSZUQLY-JTQLQIEISA-N 282.347 2.895 0 1 CFAF CC(C)(SCC(=O)O)c1nc2cncc(Cl)c2[nH]1 586958743 IFFZBBCOVCWXMH-UHFFFAOYSA-N 285.756 2.664 0 1 CFAF COc1c(F)ccc(-c2nc3cccc(OC)c3[nH]2)c1N 587133315 OAGONTPWKAVMKD-UHFFFAOYSA-N 287.294 2.968 0 1 CFAF CC(=O)[C@]1(CC(C)C)CC(=O)c2cc(C)cc(N)c2O1 587403677 PNIBBTDXIMFCHI-INIZCTEOSA-N 275.348 2.916 0 1 CFAF Brc1ccc2nc(C3CC4(COC4)C3)[nH]c2n1 586916377 LTRZQXHGYSBPCS-UHFFFAOYSA-N 294.152 2.614 0 1 CFAF CC[C@@H]1OCCC[C@H]1c1nc2ccc(C(=O)O)cc2[nH]1 586913752 SDCYTJDOSUBEKJ-MFKMUULPSA-N 274.320 2.934 0 1 CFAF Cc1ccc([C@]2(C)NCCc3c2c(C(C)C)nn3C)nc1 962915726 BDSLYNXLJLEIIL-KRWDZBQOSA-N 284.407 2.656 0 1 CFAF CCN(CC)c1ccc(-c2ccc(C(=O)OC)cc2)nn1 1857556649 YGZBPELFEALWJX-UHFFFAOYSA-N 285.347 2.776 0 1 CFAF CCCNC(=O)Oc1ccc2c(c1)[C@@H]1CCN(CC)[C@@H]1C2 13453928 GFYHFMVUVHAJDW-GOEBONIOSA-N 288.391 2.919 0 1 CFAF COc1c(O)c(CCc2cccc(O)c2)cc2c1OCO2 14505271 VHNQJAPBTMZKIC-UHFFFAOYSA-N 288.299 2.620 0 1 CFAF CN1C(=O)[C@H](c2ccccc2)Oc2cc3c(cc21)OCO3 1857647148 WOYJYJSZSDVLKR-HNNXBMFYSA-N 283.283 2.512 0 1 CFAF CSc1nc(N)c2nc(-c3ccc(C)cc3)cnc2n1 27423647 USCQTVLXCAPYFJ-UHFFFAOYSA-N 283.360 2.699 0 1 CFAF C1=C[C@@H]2C[C@@H]3N(CC[C@@]34CNc3ccccc34)C[C@H]2CO1 2356347946 SSEMHSZOXZYLBH-BODMPHMZSA-N 282.387 2.604 0 1 CFAF O=C1Nc2cc(O)ccc2/C1=C\c1cccc(O)c1 28567164 UTNALEJJDMWKKX-NTUHNPAUSA-N 253.257 2.591 0 1 CFAF COc1ccccc1-c1ccc2[nH]cc(CC(N)=O)c2c1 28888308 UHEJNKIHWNGSLO-UHFFFAOYSA-N 280.327 2.871 0 1 CFAF CCC[C@H]1Cc2c3c(c(C)c(C)c2C1=O)O[C@H](C(=O)O)C3 28001044 YFPVFXGNKSWLKA-GWCFXTLKSA-N 288.343 2.847 0 1 CFAF CCOC[C@]1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1 58575527 PKEWUQPHEKJOIK-INIZCTEOSA-N 290.338 2.506 0 1 CFAF Cc1cc(Br)c2c(c1)[C@@H]1CN(C)CC[C@@H]1N2 28572802 HEMPKFKGJZKZJL-JQWIXIFHSA-N 281.197 2.971 0 1 CFAF COc1ccc(-c2sc3cccc[n+]3c2O)cc1 29403833 SIKPIIIWAGSWDX-UHFFFAOYSA-O 258.322 2.868 0 1 CFAF C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43N)[C@@H]1CCC2=O 40720276 VCRGGMFLPVASGG-DZXRDFMUSA-N 287.403 2.779 0 1 CFAF C/C1=C\CC[C@@H](C)[C@@H](C)OC(=O)CC[C@](C)(O)/C=C/[C@H]1O 83924154 YFBAYNVMPAOPKZ-NYGJOBOJSA-N 296.407 2.743 0 1 CFAF in-vitro CC(C)(C)OC(=O)NCCCCOC(=S)S 96908194 QJESXXFQCABZAJ-UHFFFAOYSA-N 265.400 2.523 0 1 CFAF CNC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2C 253793167 VVUBAWQWFHXQPO-LXTVHRRPSA-N 292.810 2.652 0 1 CFAF C[C@@H](c1nc2ccc(CCO)cc2[nH]1)n1cc(Cl)cn1 587082297 NQPLLRSVMCWJJK-VIFPVBQESA-N 290.754 2.557 0 1 CFAF N[C@@H](c1ccsc1)c1nc2cc(F)c(F)cc2[nH]1 587025458 MLVDXUDDGLICGO-NSHDSACASA-N 265.288 2.951 0 1 CFAF Nc1ncccc1Cc1nc2cc(C(F)(F)F)ncc2[nH]1 587253504 JVDALZFBLZDVDD-UHFFFAOYSA-N 293.252 2.545 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1CCCN(C)C1)O2 587395205 LSWRWYRRWANDSX-YVEFUNNKSA-N 288.391 2.643 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1N[C@@H]1c1ccccc1)O2 587400767 ODSFAORHVSZTQK-GVDBMIGSSA-N 294.354 2.624 0 1 CFAF Cc1ccc(SCc2nc3c(O)ncnc3[nH]2)c(C)c1 586965259 VCDWROHDKYADKE-UHFFFAOYSA-N 286.360 2.968 0 1 CFAF CN[C@H](c1cccnc1)c1nc2cccc(Cl)c2[nH]1 587224309 RHXFADOBCVXTEI-GFCCVEGCSA-N 272.739 2.920 0 1 CFAF Clc1cc2c(cc1Cl)C[C@]1(CC2)CN=CN1 13743721 UHOFUSSODYJREP-GFCCVEGCSA-N 255.148 2.852 0 1 CFAF Oc1nc2c(c3nc(-c4ccccc4F)nn13)CCCC2 13824502 UXBKNOCINPELAC-UHFFFAOYSA-N 284.294 2.515 0 1 CFAF Cc1nc2cccc(Sc3ccccn3)c2c(=O)[nH]1 13826153 ITFGQMQTHVREMI-UHFFFAOYSA-N 269.329 2.778 0 1 CFAF CC(C)CNC(=O)/C=C\C=C\c1ccc2c(c1)OCO2 16926087 WHAAPCGHVWVUEX-UZNMPDEFSA-N 273.332 2.757 0 1 CFAF O=C(O)COc1ccc(/C=C/[N+](=O)[O-])c(Cl)c1Cl 169340546 AGUVLVQZVUITQN-ONEGZZNKSA-N 292.074 2.704 0 1 CFAF O=C1c2[nH]c3ccccc3c2CCN2CCCC[C@@H]12 1655832 IKUMTQZGVXFFFC-AWEZNQCLSA-N 254.333 2.761 0 1 CFAF CC(C)(O)[C@@H]1CC[C@@]2(C)CO[C@]3(C)C=CO[C@]23C1 6032320 ZOEXGOVAOFIZLY-FAAHXZRKSA-N 252.354 2.635 0 1 CFAF CCc1ccnc2c1N(C)C(=O)c1cccnc1N2CC 29325118 GLSPGLMRBMCTDI-UHFFFAOYSA-N 282.347 2.787 0 1 CFAF CN(C)CCC[C@H]1CN(C)CCc2cc(Cl)c(O)cc21 27313364 TZWBHWCSLLOIOT-ZDUSSCGKSA-N 296.842 2.959 0 1 CFAF COc1cccc(/C=C(\[C@@H](O)C(C)(C)C)n2cncn2)c1 27425653 YLTVZOJEDAIVRQ-AAWPKVBNSA-N 287.363 2.692 0 1 CFAF C[C@@]12C[C@H](O)[C@@H]3[C@H]4CCC(=O)C[C@H]4CC[C@H]3[C@H]1C[C@@H](O)C2 2356486059 CXNZCFVPMJZWJF-GETRQPMOSA-N 292.419 2.540 0 1 CFAF COc1ccc(OC(=O)NN2CCc3ccccc3C2)cc1 29415138 CWMAMGCWQCQIBF-UHFFFAOYSA-N 298.342 2.757 0 1 CFAF CC(=O)O[C@@H]1[C@H](C(C)C)CC[C@]2(C)[C@H](O)CC[C@@](C)(O)[C@@H]12 2356598415 PGMDYJUEXIFZJG-JXMXSTLTSA-N 298.423 2.512 0 1 CFAF CC(C)c1cc(O)n2nc(NCc3cccs3)nc2n1 21523605 ORYFULYDAWWPBU-UHFFFAOYSA-N 289.364 2.627 0 1 CFAF Oc1ccc(-c2cn(Cc3ccccc3)nn2)cc1 64573651 MWEAVQQXPSYOLB-UHFFFAOYSA-N 251.289 2.699 0 1 CFAF COc1c(O)ccc(/C=C\c2cc(O)cc(O)c2)c1O 85541597 VXLRGWYITQYDOS-IHWYPQMZSA-N 274.272 2.688 0 1 CFAF biogenic,in-vitro CCCN(CCC)c1ccnc2sc(C(N)=O)c(N)c12 95602790 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Cc1c(-c2cc3c4c(cccc4n2)CC3)cnc2nncn12 587211383 DLUJLUDPVZTKOY-UHFFFAOYSA-N 287.326 2.747 0 1 CFAF O=C(O)Cc1c(-c2ccncc2)[nH]c2c(C(=O)O)cccc12 587637858 AUNXBPBDOBVTCV-UHFFFAOYSA-N 296.282 2.555 0 1 CFAF O=C1OCC[C@]1(Cl)c1cc2c3c(cccc3n1)CC2 587209224 KKVMRHDGDBDYAU-HNNXBMFYSA-N 273.719 2.714 0 1 CFAF Nc1cc2nc(-c3ccc(CN=O)cc3)[nH]c2cc1N 587191215 VTJTXELWTJFTAD-UHFFFAOYSA-N 267.292 2.661 0 1 CFAF CCOc1n[nH]c(-c2nc3c(C)ccnc3[nH]2)c1Cl 587065659 WLDAWLIHEJYMSF-UHFFFAOYSA-N 277.715 2.709 0 1 CFAF CCOP(=O)(OCC)[C@H]1C[N@@]1Cc1ccco1 1857622859 KTPPXAYMISNBOE-NWDGAFQWSA-N 259.242 2.687 0 1 CFAF CC(=O)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1 1772589499 SAESCKVBNMDQJG-CYBMUJFWSA-N 264.712 2.841 0 1 CFAF Cc1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@H]([C@@H]1C(=O)O)[C@@H]1C[C@H]21 13154357 HQGWLWWXSRABAP-GMCZJSKOSA-N 297.354 2.702 0 1 CFAF CC(=O)NC[C@@H]1CCCc2c1c1ccccc1n2C 13777759 FXGOVZAZDXYZHV-LBPRGKRZSA-N 256.349 2.734 0 1 CFAF COC(=O)c1cc2c(OCC(C)C)cc(N)cc2[nH]1 169349106 RETQDURQWPBSSG-UHFFFAOYSA-N 262.309 2.572 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COc1cc(/C=C/[C@H]2CC=CC(=O)O2)cc(OC)c1 84708969 OBGZAQLQUFJCKG-NNNHXZLVSA-N 260.289 2.589 0 1 CFAF COc1ccc(-n2[nH]c3c(ncc4ccccc43)c2=O)cc1 135735310 JQSYJZKZKSIJFL-UHFFFAOYSA-N 291.310 2.876 0 1 CFAF c1cc([C@@H]2CNCCO2)ccc1Nc1ncc(C2CC2)cn1 149913126 LTCPIUJIWPHWDB-INIZCTEOSA-N 296.374 2.759 0 1 CFAF C/C=C1/CN2CC[C@]34C=C(CO)[C@@H]1C[C@]23Nc1ccccc14 141540288 HICMXDKNSCMBDU-BBPLSSQLSA-N 294.398 2.650 0 1 CFAF COc1ccc(N(C)c2nc(N)nc3c2C[C@@H](C)C3)cc1 96934249 GXKJYRHUKIFOBX-SNVBAGLBSA-N 284.363 2.570 0 1 CFAF Nc1ncc2c(n1)-c1c([nH]c3ccc(Cl)cc13)CC2 95590568 KAQABGOWPUBBDM-UHFFFAOYSA-N 270.723 2.959 0 1 CFAF COc1c2c(c3oc(=O)ccc3c1OC)C(C)(C)[C@H](C)O2 238734714 MGFFZNKRBBPGSK-QMMMGPOBSA-N 290.315 2.869 0 1 CFAF Clc1cc(CC2=NCCN2)c2c(c1)C1(CCO2)CC1 474609623 RNGJLWVPLQFOOV-UHFFFAOYSA-N 276.767 2.698 0 1 CFAF COc1ccccc1-c1c(O)c2ccccc2n(O)c1=O 299821113 JWYJBUGGHHEBLP-UHFFFAOYSA-N 283.283 2.620 0 1 CFAF Cc1ccnc2nc(C3=Cc4cccc(O)c4OC3)[nH]c12 586907936 KWDZSABARLUUNA-UHFFFAOYSA-N 279.299 2.905 0 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2.518 0 1 CFAF Nc1ncnc2c1c(-c1ccccc1)cn2[C@@H]1CC[C@H](O)C1 13911096 VISDQUKQUGPQNV-OLZOCXBDSA-N 294.358 2.766 0 1 CFAF CC(C)CC(=O)C[C@]1(C)CC[C@H]([C@@H](C)CCO)O1 14556688 NQUGBBCWSQRMST-CFVMTHIKSA-N 256.386 2.948 0 1 CFAF endogenous,in-man O=C(O)[C@H](Cc1ccc(O)cc1)n1c(O)csc1=S 169725015 ZZFYIUHVKFWFJE-VIFPVBQESA-N 297.357 2.559 0 1 CFAF CC(=O)[C@H]1[C@@H](c2ccccc2)[C@H]2C(C)=NN=C2C[C@]1(C)O 4111576 ZNLUTICYKJBZGH-QAETUUGQSA-N 284.359 2.577 0 1 CFAF CCCN1CCO[C@H]2c3c(ccc4[nH]ccc34)OC[C@@H]21 1857587965 KCKPUTXKJBHHRZ-XJKSGUPXSA-N 272.348 2.712 0 1 CFAF COc1ccc2cccc3c2c1[C@H](CNC(C)=O)C3 13834450 GVOWMRKLYWGZOG-ZDUSSCGKSA-N 255.317 2.624 0 1 CFAF O=C(C[C@@H](Cc1ccccc1)C(=O)O)NC1CCCCC1 351317 AINGTUIEGSYZKD-CQSZACIVSA-N 289.375 2.769 0 1 CFAF CC(C)CCNc1nc2ccccc2n2cnnc12 4910598 CZESBWHGNZKLNV-UHFFFAOYSA-N 255.325 2.736 0 1 CFAF Cc1ccc([S@@](N)(=O)=NC(=O)Nc2ccccc2)cc1 102789099 UYVLSCZFHCXCIY-FQEVSTJZSA-N 289.360 2.928 0 1 CFAF COC(=O)C[C@H]1c2ccccc2C=C(C)N1C(=O)OC 8682186 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COC(=O)[C@@H]1[C@@H](c2cccc(F)c2)C[C@@H]2CC[C@@H]1N2C 100739491 KBWLRHKLMPNABK-LJISPDSOSA-N 277.339 2.565 0 1 CFAF COC(=O)[C@H](c1ccc2ccccc2c1)[C@@H]1CCCN1 29482544 NHOGTKAKJAXBLQ-JKSUJKDBSA-N 269.344 2.848 0 1 CFAF O=C(CC1C[C@@H]2CC[C@H](C1)N2)c1c[nH]c2cc(O)ccc12 27523255 IEUXRHDPSSNADT-YOGCLGLASA-N 284.359 2.977 0 1 CFAF FC(F)Oc1ccc(Nc2ncnc3[nH]cnc23)cc1 28477366 XWFJHEVILKZXCX-UHFFFAOYSA-N 277.234 2.698 0 1 CFAF CC(=O)[C@H]1C[C@H](O)C2=CCC[C@H](C)[C@@]2(C)[C@H]1C(C)=O 29042095 ULYNRVYLRQWJPH-BTQADYBMSA-N 264.365 2.524 0 1 CFAF CC=C1[C@H]2C=C(C)C[C@@]1(NC)c1ccc(O)nc1C2 2356812649 BKVFIRMUQHJJEK-ZBEGNZNMSA-N 256.349 2.671 0 1 CFAF COC(=O)[C@H]1[C@@H](Cc2ccccc2)C[C@H]2CC[C@H]1N2C 139012628 YHWZJYKIOUHJGH-JJXSEGSLSA-N 273.376 2.501 0 1 CFAF COc1cc(F)cc(-c2c[nH]c3ncnc(N(C)C)c23)c1 224869076 HEWGOSXSILHLLQ-UHFFFAOYSA-N 286.310 2.839 0 1 CFAF C[C@H]1C[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1 40567456 PQJJJIPGQCKGDU-CMPLNLGQSA-N 294.347 2.511 0 1 CFAF COc1ccc(-n2cc(-c3ccc(C(N)=O)cc3)cn2)cc1 45357505 FWOOTQWQKQHEHE-UHFFFAOYSA-N 293.326 2.647 0 1 CFAF Cn1cnc(-c2ccccc2)c1/C=C/c1ccnc(N)n1 40428858 ZOBMEONPYSLCBL-BQYQJAHWSA-N 277.331 2.630 0 1 CFAF Cc1ccc2c(c1C)O[C@]1(OC(=O)c3ccccc31)C2=O 95587408 HPZFTIHXLKXDPI-QGZVFWFLSA-N 280.279 2.902 0 1 CFAF Cc1sc2ccccc2c1-c1cc(C(N)=O)n[nH]1 299830618 XMUAVBWANVEZHQ-UHFFFAOYSA-N 257.318 2.699 0 1 CFAF NC(=O)c1cc(-c2cc(Cl)sc2Cl)[nH]n1 299829947 VZBZBWWIPASNLV-UHFFFAOYSA-N 262.121 2.544 0 1 CFAF Cn1cc(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)cn1 653672883 VJZXQHGECBQLJY-UHFFFAOYSA-N 291.314 2.502 0 1 CFAF CCCc1c(O)ccc2c1O[C@@](C)([C@H]1CCCN1)CC2=O 587487561 WFOPXVVLIYIWCZ-NVXWUHKLSA-N 289.375 2.821 0 1 CFAF Clc1c[nH]c2nc(CCOCc3ccccc3)nc-2n1 587565879 LYJAEDIBGGKMSP-UHFFFAOYSA-N 288.738 2.717 0 1 CFAF C[C@@H](F)[C@H](N)c1nc2cccc(C(F)(F)F)c2[nH]1 587123970 LVXDUKPCYKIISA-XRGYYRRGSA-N 261.222 2.940 0 1 CFAF NC(=O)Nc1ccc(-c2nc3c(F)c(F)ccc3[nH]2)cc1 587243791 QOARUQAHWIQPGO-UHFFFAOYSA-N 288.257 2.999 0 1 CFAF CCOc1n[nH]c(-c2nc3cccc(O)c3[nH]2)c1Cl 587064502 BIHRZUOTVCTYAS-UHFFFAOYSA-N 278.699 2.711 0 1 CFAF CC(=O)Nc1cccc(Cc2nc3cc(F)cnc3[nH]2)c1 587242936 ZULAPAZZIHHJRE-UHFFFAOYSA-N 284.294 2.646 0 1 CFAF Cc1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O 587945407 DQXYRIDMGGLYAR-UHFFFAOYSA-N 299.305 2.717 0 1 CFAF CC[C@@H]1C[C@@]2(CCO1)CC(=O)c1cc(C)cc(N)c1O2 587411409 IWCJYKLSEHKSEP-BZNIZROVSA-N 275.348 2.870 0 1 CFAF NC(=O)c1ccc2nc(-c3ccc(O)cc3Cl)[nH]c2c1 587054211 MZWGBLPJCXCYFS-UHFFFAOYSA-N 287.706 2.688 0 1 CFAF COc1cc2nc([C@@H](N)C(C)C)[nH]c2cc1Cl 587258437 CCNYZTFWUHZQGY-NSHDSACASA-N 253.733 2.881 0 1 CFAF CCOc1ccc(OCC)n1-c1cc(O)cc(C(=O)O)c1 587927445 UUZZUYNNFNMGPT-UHFFFAOYSA-N 291.303 2.679 0 1 CFAF COc1ccc(-c2nc3c(C)ccnc3[nH]2)c(Cl)n1 587083792 LWLZSNPSBGLTRY-UHFFFAOYSA-N 274.711 2.990 0 1 CFAF CC(=O)c1c(-c2cc3c4c(cccc4n2)CC3)cnn1C 587210447 BXQQGZCWVPHKTJ-UHFFFAOYSA-N 277.327 2.937 0 1 CFAF CC[C@@H]1CCC(=O)[C@@]12NCCc1ccc(F)c(C)c12 962296198 FLABUZXZSATAPF-WBMJQRKESA-N 261.340 2.864 0 1 CFAF CC[C@@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2cc(F)ccc21 962894337 ISWZIPRQPFLYKH-CMPLNLGQSA-N 291.244 2.592 0 1 CFAF FC1(F)CCC(c2nnn3cnc4[nH]ccc4c23)CC1 1772601457 KWDFEABYFOCXOZ-UHFFFAOYSA-N 277.278 2.899 0 1 CFAF CC(=O)O[C@H](/C=C/c1ccccc1)C[C@@H]1CC=CC(=O)O1 13411156 TYMKVQRXYUDCIH-ZBYDSPNZSA-N 286.327 2.893 0 1 CFAF CC(C)n1cnc2c(NCc3cccc(O)c3)ncnc21 13538238 IWNUHPJGCMCLBK-UHFFFAOYSA-N 283.335 2.725 0 1 CFAF CCOc1ccc(-c2nc3cc(C(N)=O)ccc3[nH]2)cc1 13612063 FKOBSOMUJJNZGG-UHFFFAOYSA-N 281.315 2.728 0 1 CFAF CCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 13782790 HYKCKUKATCYSMY-UHFFFAOYSA-N 259.349 2.729 0 1 CFAF CC(C)c1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2O 14959879 USGFKSUCSGPRQX-UHFFFAOYSA-N 291.738 2.902 0 1 CFAF [C-]#[N+]c1cc(N)cc(-c2cc3nc(N)nc(N)c3cc2C)c1 169706534 LRLRSANUFXZHLP-UHFFFAOYSA-N 290.330 2.903 0 1 CFAF Nc1cccc(-c2ccc3c(=NC(=O)C4CC4)[nH][nH]c3c2)c1 1857550724 NSFKCPSNOQYAES-UHFFFAOYSA-N 292.342 2.583 0 1 CFAF O=C(O)[C@H]1CCN(c2cccc(C(F)(F)F)c2F)C1 1911577549 MQBSVZCTCACCTH-ZETCQYMHSA-N 277.217 2.755 0 1 CFAF CC1=CC2=c3cc(C)ccc3=N[C@H](c3sccc3C)N2N1 104045775 FGBHPVNQNRCPBP-KRWDZBQOSA-N 295.411 2.529 0 3 CFAF CCSc1ccc(OC)c2c1C[C@@H]1OCCN(C)[C@H]1C2 27550092 KODMAJGLVWLRBI-ZFWWWQNUSA-N 293.432 2.605 0 1 CFAF c1c(N2CCCCCC2)nc(C2CC2)nc1N1CCC1 28818514 UZFSUYXDEBVIPE-UHFFFAOYSA-N 272.396 2.945 0 1 CFAF Cc1ccc(C(=O)c2ccc3n2CC[C@@H]3C(=O)O)cc1 25992043 UWNKAFVMCAEKRB-LBPRGKRZSA-N 269.300 2.599 0 1 CFAF c1ccc([C@@H]2CN3CCNC[C@H]3c3ccccc32)cc1 25964209 IVDVHWNKPARSHK-ROUUACIJSA-N 264.372 2.778 0 1 CFAF CCCN(CCC)[C@H]1Cc2ccc(C=O)c(O)c2C1 26162484 DLLWTRSOZZWNRZ-AWEZNQCLSA-N 261.365 2.794 0 1 CFAF CCCn1c(=O)ccn2nc(-c3ccccc3)cc12 29409290 OVIUXULUHCUAMO-UHFFFAOYSA-N 253.305 2.573 0 1 CFAF O=C1C[C@@H](c2ccccc2)Oc2c(O)ccc(O)c21 2356830570 JJRIYFGZKRETII-ZDUSSCGKSA-N 256.257 2.804 0 1 CFAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CC[C@@]31C 487687 WOQZEKGBHYBBOH-INIZCTEOSA-N 270.332 2.570 0 1 CFAF biogenic CCCCC1=C[C@H](C2=NO[C@H](C(=O)OC)C2)C(Cl)=N1 49766299 JCCXEJUXJXMMCI-KOLCDFICSA-N 284.743 2.646 0 1 CFAF Cn1c2c(c3ccccc31)CC[C@H](Cn1ccnc1)C2=O 59283628 LOJIPLCKUQMZMI-GFCCVEGCSA-N 279.343 2.820 0 1 CFAF Cc1ccc(C(=O)N[C@@H]2CCC[C@H]3CN(C)CC[C@@H]32)cc1 40655854 XSTDZAMTGIEXQR-YESZJQIVSA-N 286.419 2.845 0 1 CFAF CC(C)CNC(=O)[C@H]1Cc2c(sc3ccccc23)CN1 40479717 QUKBXQWXXNEWMR-CYBMUJFWSA-N 288.416 2.688 0 1 CFAF CCCC[C@H](/C=C/[C@@H]1CC=CC(=O)O1)OC(C)=O 223418431 NIMODSMHVSSGLL-GBYBRZQVSA-N 252.310 2.536 0 1 CFAF COc1ccc(/C=C2/C(=O)Nc3ccc(N)cc32)cc1 45391779 DYCBCUFDDRQCID-RIYZIHGNSA-N 266.300 2.770 0 1 CFAF Cc1ccc(N2C(=S)NC(=O)C23CCCCC3)cc1 95872982 MFRFVUVCFKBKJX-UHFFFAOYSA-N 274.389 2.919 0 1 CFAF COc1ccc(O[C@H](CC(C)C)[C@H]2CCNC2)c(C)n1 96929175 SNNRWIBSGBMYRF-DZGCQCFKSA-N 278.396 2.802 0 1 CFAF COc1cc2c(cc1C)[C@H](C(C)C)C[C@H](O)[C@]2(C)O 95562242 SEGVFKZPKBQZRQ-KNXALSJPSA-N 264.365 2.715 0 1 CFAF COc1c(Br)c(C)nn1-c1ccccc1 653725400 XDNHNONQPBABCM-UHFFFAOYSA-N 267.126 2.952 0 1 CFAF COc1cc(C)c(N)c(-c2nc3cccc(C(=O)O)c3[nH]2)c1 587249493 MNZGVVVRBCDTHF-UHFFFAOYSA-N 297.314 2.827 0 1 CFAF CC(C)OC(=O)C1(c2nc3cnccc3[nH]2)CC(F)(F)C1 587131301 CWZYASASCATCTK-UHFFFAOYSA-N 295.289 2.576 0 1 CFAF Cc1nccc2[nH]c(-c3cc(CO)ccc3F)nc12 587140803 RIRCMMKYINUWTB-UHFFFAOYSA-N 257.268 2.565 0 1 CFAF CCC[C@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)C(C)C 587956254 PELNVOBWLLNCDB-NSHDSACASA-N 295.408 2.750 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CC[C@H]1CC3=O)O2 587408589 QFYIOKYKOUXVLB-DINDLPBHSA-N 285.343 2.670 0 1 CFAF COc1cc2[nH]c(-c3ccc4oc(=O)ccc4c3)nc2cn1 586918692 QQEOOYHNMQPWEF-UHFFFAOYSA-N 293.282 2.740 0 1 CFAF Clc1cc2nc(CCOCC3CC3)[nH]c2cn1 587783640 DDLLTEGWTATFDX-UHFFFAOYSA-N 251.717 2.580 0 1 CFAF NC(=O)Nc1cccc(-c2nc3cccc(F)c3[nH]2)c1 587241533 FMFNOEOEMFBRAY-UHFFFAOYSA-N 270.267 2.860 0 1 CFAF Cc1ccc2nc(Cc3ccc(=N)[nH]c3)[nH]c2c1C 587254219 JSWLHACMWXZLRA-UHFFFAOYSA-N 252.321 2.578 0 1 CFAF Cc1cnc2[nH]c(CCOc3ccc(C=O)cc3)nc2c1 587566411 LLVRJZQKBFJEFJ-UHFFFAOYSA-N 281.315 2.700 0 1 CFAF Oc1ccc2c(c1)C1(C=CC(=C3NC=CS3)C=C1)NCC2 963353278 PQTPQWCLXIMAKX-UHFFFAOYSA-N 296.395 2.878 0 1 CFAF COC(=O)C1=CC2CC(C=C(c3ccccc3)C(=O)O1)C2 1618331 BFSPTGLBIIGTKJ-UHFFFAOYSA-N 284.311 2.710 0 1 CFAF COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(C)c(F)c1)N2 13644778 QDZIBQWKRRRXAL-VIRABCJISA-N 277.339 2.531 0 1 CFAF CC(=O)OCC(=O)c1ccc2c(c1)C=CC(C)(C)O2 14442477 LORIDAQKSAOIRR-UHFFFAOYSA-N 260.289 2.617 0 1 CFAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(O)C(=O)OC[C@H]21 14449368 ARYYYZGVCTUYKP-IDTSFGKNSA-N 252.354 2.517 0 1 CFAF Cc1nc(NC(=O)c2ccccc2)cc(N2CCCC2)n1 169305199 TYMYCKLMGIVRMS-UHFFFAOYSA-N 282.347 2.638 0 1 CFAF CC(=O)O[C@H]1[C@H]2CC[C@H](N3CCCCC3)[C@H]1CC2 169312419 WAAWXHBKTWLHRM-KBXIAJHMSA-N 251.370 2.593 0 1 CFAF CC1=C(NC(=O)c2ccccc2)C(=O)Nc2ccccc2N1 205860551 PLZPIDCULLYSDE-UHFFFAOYSA-N 293.326 2.712 0 3 CFAF COc1cccc(CN2Cc3ccccc3C2=O)c1 385622 CBKFBCCCUSHAFF-UHFFFAOYSA-N 253.301 2.851 0 1 CFAF O=C1CC(=O)c2c(N3CCCC3)sc(N3CCCC3)c21 1658695 WAUMTRCECOVSFY-UHFFFAOYSA-N 290.388 2.718 0 1 CFAF Cc1ccc(Nc2c3c(nc4nncn24)CCC3)c(C)c1 6742945 ADKLIASKIFOGPD-UHFFFAOYSA-N 279.347 2.973 0 1 CFAF CS(=O)(=O)Oc1cccc(SC2CCCCC2)n1 103185224 KQBYJUJCELCYJW-UHFFFAOYSA-N 287.406 2.845 0 1 CFAF CCOC(=O)c1[nH]cc2nc3ccccc3c-2c1COC 100652875 ZKVGHURGXXUFQB-UHFFFAOYSA-N 284.315 2.991 0 1 CFAF Cc1cccc(-c2nnc(-c3snnc3C)o2)c1 103218678 NJVRDSIIOQUESD-UHFFFAOYSA-N 258.306 2.872 0 1 CFAF O=C(O)CN(C(=O)c1cccc(F)c1S)C1CCCC1 26986065 QTGVIKLURZZGDG-UHFFFAOYSA-N 297.351 2.584 0 1 CFAF CC=C[C@@H]1Nn2c(nnc2-c2ccccc2OC)S1 2356500521 XOBLATTVKVGEKE-LLVKDONJSA-N 274.349 2.505 0 1 CFAF CC[C@H]1CN2CC[C@@]34C(=Nc5ccccc53)[C@H]2C[C@H]1[C@H]4CO 2356568879 PYMHIOSGBXFQPS-WEMHDNAMSA-N 296.414 2.753 0 1 CFAF C[C@@H]1[C@H](O)C[C@@]23C[C@H]1[C@](C)(C(=O)O)[C@@H]2CC[C@@H]3C 2356689578 OMLUGBLYLSZBOX-ROOSQCEWSA-N 252.354 2.530 0 1 CFAF CO[C@]12C[C@]3(C)CCC[C@@](C)(O)[C@@H]3CC1=C(C)C(=O)O2 2356694721 DWKVFTSXSNTDJB-BVUBDWEXSA-N 280.364 2.554 0 1 CFAF C[C@]1(C(=O)O)C[C@@H]2C=C(C(=O)O)[C@@H]3CC[C@]3(C)[C@@H]2C1 2356791477 IPGWJKFNMYXJRY-ZKOAOSJTSA-N 264.321 2.544 0 1 CFAF CNc1nc(N(C)c2ccc(OC)nc2)c2ccccc2n1 35964292 YQXLUXQBCCEIGS-UHFFFAOYSA-N 295.346 2.843 0 1 CFAF COC(=O)/C=C/[C@@H]1[C@H](c2ccccc2)C[C@@H]2CC[C@H]1N2C 36177450 OMLSVYSQLRWXNO-RVDXMTQWSA-N 285.387 2.982 0 1 CFAF CC[C@@]1(O)C(=O)Nc2ccc(-c3c(C)noc3C)cc21 219534020 SQPWJRKOCCOBMI-HNNXBMFYSA-N 272.304 2.508 0 1 CFAF CC(C)n1c(=O)c2cc(C(=O)O)cn2c2ccccc21 34216349 KYSXVVDUOUGMTH-UHFFFAOYSA-N 270.288 2.533 0 1 CFAF CCCCC1=C[C@H](C2=NO[C@@H](C(=O)OC)C2)C(Cl)=N1 49766302 JCCXEJUXJXMMCI-MWLCHTKSSA-N 284.743 2.646 0 1 CFAF C[Si](C)(C)C[C@](O)(Cn1ccnn1)c1ccc(F)cc1 195955549 KFCVKOAWTUJWOT-CQSZACIVSA-N 293.418 2.643 0 1 CFAF Clc1ccccc1[C@H]1NNCc2nc3ccccc3n21 84669295 TVRRHZGQYRDAMC-HNNXBMFYSA-N 284.750 2.844 0 1 CFAF S=C1N[C@@H](c2cccc(Cl)c2)N2CCCCN12 96921402 UEKPOSARMWSKRI-LLVKDONJSA-N 267.785 2.540 0 1 CFAF CCCN(CCC)CCc1ccc(O)c2c1CCC(=O)N2 95558852 WKKGTCHGVIVHIU-UHFFFAOYSA-N 290.407 2.941 0 1 CFAF Nc1c(F)cc(-c2nc3ccc(CO)cc3[nH]2)cc1F 587134820 NMLRJFHTAZESEU-UHFFFAOYSA-N 275.258 2.583 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1cscn1)[C@@H](C2)C3=O 587454574 YVVNUSJGBUCQPM-XPTSAGLGSA-N 273.313 2.640 0 1 CFAF COC(=O)c1ccnc2[nH]c(Cc3cc(C)ccc3C)nc12 587959784 VTFITTCCGPMVHC-UHFFFAOYSA-N 295.342 2.952 0 1 CFAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccnc(Cl)c2[nH]1 587961165 DJSGKXGLMVYBIC-YUMQZZPRSA-N 263.728 2.769 0 1 CFAF Cc1ccc(-c2nc3nc(O)nc(O)c3cc2C)s1 587564995 ZXTBYJZZQADSBG-UHFFFAOYSA-N 273.317 2.781 0 1 CFAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(O)cc4[nH]1)(C3)C2 587969313 LPKVLCJEHRPECA-FYBJUZMNSA-N 282.343 2.915 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)CC[C@H](c1ccccc1)C3 587561806 LUOCHOHECHDRQI-NSHDSACASA-N 293.326 2.709 0 1 CFAF c1ccc(-c2ccc3c(c2)CCN[C@H]3c2nc[nH]n2)cc1 962667834 NDESLJIRCJRNOV-MRXNPFEDSA-N 276.343 2.707 0 1 CFAF CCOC(=O)[C@@H]1C[C@@H]1[C@H]1NCCc2c1sc(C)c2C 963027671 QIDHSODMUWVVFO-YNEHKIRRSA-N 279.405 2.751 0 1 CFAF CN=[S@](=O)(c1ccc(C(F)(F)F)cc1)N(C)C 1772615662 QSVLTIZVOLVOFN-QGZVFWFLSA-N 266.288 2.639 0 1 CFAF CC(C)[C@H](O)[C@H](O)C[C@@H](C)CCC(=O)c1ccoc1 5442554 PRLJTIPWGNRUNG-GLQYFDAESA-N 268.353 2.647 0 1 CFAF endogenous,in-man O=C1CCc2cc3c(c4c5ccc(O)cc5n1c24)CCNC3 13558715 DBKHNQOKLJGKHC-UHFFFAOYSA-N 292.338 2.732 0 1 CFAF COc1ccc2c(c1)OC(=O)C[C@@H]2c1ccc2c(c1)OCO2 13813502 YWGSWUAYVYUTFK-CYBMUJFWSA-N 298.294 2.865 0 1 CFAF c1cc([C@@H]2CNCCO2)ccc1Nc1ccn(CC2CC2)n1 150018751 VPAGDHSOFZOAFL-INIZCTEOSA-N 298.390 2.698 0 1 CFAF CC1=NC(=O)N[C@H](c2ccsc2)[C@@H]1C(=O)OCC(C)C 169688525 LOLZPZTZBQSRJW-VXGBXAGGSA-N 294.376 2.789 0 1 CFAF O=C(O)c1cc2c(s1)-c1ccccc1[S@](=O)C2 584636280 PMOFXYJOFKKKPH-QGZVFWFLSA-N 264.327 2.735 0 1 CFAF Oc1ncnc2nc(-c3ccco3)c(-c3ccoc3)nc12 28334283 HCOLPLVSDOYOCN-UHFFFAOYSA-N 280.243 2.645 0 1 CFAF CC(C)(C)c1ccc(-n2cnc3c(N)ncnc32)cc1 26176295 TVYBIQXBFWSEFZ-UHFFFAOYSA-N 267.336 2.695 0 1 CFAF CNc1nc2ccnc(-c3cccc(C(F)(F)F)c3)n2n1 28241642 HXQKBOBPKKUVIN-UHFFFAOYSA-N 293.252 2.852 0 1 CFAF O=C(N[C@H]1CO[C@@H](c2ccccc2)OC1)c1ccccc1 101427177 SFMOMCUGUPBYFM-JCNLHEQBSA-N 283.327 2.531 0 1 CFAF O[C@]1(Cc2ccc(F)cc2)c2ccccc2C2=NCCCN21 28954229 USNNIQTWYBYMPE-GOSISDBHSA-N 296.345 2.679 0 1 CFAF CC(=O)O[C@@H]1CC(C)=C2CC=C(C)[C@@H]2[C@@H]2OC(=O)[C@@H](C)[C@@H]21 2356471463 XNQSEZFWFNDBST-OLWDYRCYSA-N 290.359 2.782 0 1 CFAF O=Cc1cn(C(=O)c2ccc(O)cc2)c2ccccc12 2356814072 BXGPXDZPKSIMDC-UHFFFAOYSA-N 265.268 2.848 0 1 CFAF CC1=c2[nH]c3ccccc3c2=C2CCC(C)(C)C[C@H]2N1C 2356823002 GHWWIADFNKCHFK-MRXNPFEDSA-N 280.415 2.971 0 1 CFAF Nc1nnc2c3ccccc3c(Oc3ccccc3)nn12 64453441 ZGMLPUDBVYTLRD-UHFFFAOYSA-N 277.287 2.652 0 1 CFAF C[C@@H]1CC(=O)C(CC2=C(O)C[C@H](C)CC2=O)=C(O)C1 3843442 PKLUVUABXTWPKI-IUCAKERBSA-N 264.321 2.999 0 1 CFAF biogenic CCc1cc(Cn2nc(-c3ccccc3)cc2C(=O)O)on1 36384178 RXJZRJZYNNMUMO-UHFFFAOYSA-N 297.314 2.847 0 3 CFAF COc1cccc(OC)c1-c1ccccc1N1CCNCC1 95553609 CYYDDFDTTQSUPE-UHFFFAOYSA-N 298.386 2.780 0 1 CFAF Cc1cc(C)cc(Nc2ccc(N)c3nc[nH]c(=O)c23)c1 96937610 WKMSSJRUNQFMRK-UHFFFAOYSA-N 280.331 2.866 0 1 CFAF c1nncc2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc12 586886869 DNNHYIMFVPBKDA-USXUVBGUSA-N 254.337 2.821 0 1 CFAF Nc1cnc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)nc1 587252877 RBFSUQSQNDRUTM-UHFFFAOYSA-N 295.224 2.501 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](C)C[C@@H]1C 587407276 ZGEHKYHWJBIQTG-XQJJYNOISA-N 273.332 2.526 0 1 CFAF CC1=CC[C@@H](C(C)(C)OC(=O)CSCCO)CC1 1857635904 AEBOHABDOARITH-GFCCVEGCSA-N 272.410 2.780 0 1 CFAF Oc1nc2cc(Cl)c(Cl)cc2c2ccnn12 13726941 DUMQRBWBQHNOBZ-UHFFFAOYSA-N 254.076 2.895 0 1 CFAF COc1cc(/C=C\c2ccc(OC)c(O)c2)oc(=O)c1 13340547 OCZUPEYJZNWTBK-HYXAFXHYSA-N 274.272 2.533 0 1 CFAF endogenous,in-man Clc1ncc(OC[C@@H]2CCN2)cc1-c1cccnc1 13560801 BHZUMHSBELOKKN-NSHDSACASA-N 275.739 2.538 0 1 CFAF COc1cc2c(cc1O)[C@H]1COc3cc(O)ccc3[C@@H]1O2 14820548 FPPWIEZFMZZUPL-BZNIZROVSA-N 286.283 2.716 0 1 CFAF endogenous,in-man CC(=O)Nc1ccc([C@H]2CN3CCCC[C@@H]3CO2)cc1 169315908 CNZMWQSPPLYPPG-HZPDHXFCSA-N 274.364 2.571 0 1 CFAF N[C@@H]1Cc2cc(Oc3ccccc3)ccc2-n2cnnc21 169329618 YVBNPYJCXOEMTB-CQSZACIVSA-N 278.315 2.616 0 1 CFAF O=C1NCC(c2ccc3nc(-c4ccccc4)oc3c2)=NN1 168630125 QUFDXOLSBZYCBU-UHFFFAOYSA-N 292.298 2.512 0 1 CFAF O[C@H](Cc1ccccc1-c1cnn[nH]1)c1ccccc1 1857540835 PFSWOURDRVXLLG-MRXNPFEDSA-N 265.316 2.748 0 1 CFAF O=C1c2cc(O)ccc2CC[C@H]1Cc1ccncc1 13824080 XWSFHWMUYSQTSF-ZDUSSCGKSA-N 253.301 2.775 0 1 CFAF C[C@@H]1C[C@@H](C)CN(C(=O)Cn2cc3c(n2)CCCCC3)C1 6806899 QIRMDZKGHSCCNO-ZIAGYGMSSA-N 289.423 2.657 0 1 CFAF COc1ccccc1CNC(=O)c1cnc2ccncc2c1 26574349 PXOXOJBSKWJWNQ-UHFFFAOYSA-N 293.326 2.568 0 1 CFAF CO[C@@H]1C=C(C)[C@](O)(/C=C/C(C)=C\C(=O)O)C(C)(C)C1 29322008 ONZOEDCKZAYZKJ-UPMDNICRSA-N 280.364 2.696 0 1 CFAF COc1cc(Nc2n[nH]c3cccnc23)ccc1F 118720191 ACWINKCBLAHDLC-UHFFFAOYSA-N 258.256 2.849 0 1 CFAF COc1cc(O)c2c(OC)c3c(cc2c1)C[C@H](C)OC3=O 2356674333 DSGCKTAPENGNBE-QMMMGPOBSA-N 288.299 2.664 0 1 CFAF c1ccc(-c2ccc(NCc3ccon3)nn2)cc1 32529687 BYPFRWJHMYYBPS-UHFFFAOYSA-N 252.277 2.744 0 1 CFAF CCC(C(=O)OCCOC)(C(F)(F)F)C(F)(F)F 3189095 GHQBTFKWLZTVLE-UHFFFAOYSA-N 282.180 2.697 0 1 CFAF biogenic CC(C)C(=O)N1Cc2ccccc2C[C@@]2(CCCN2C)C1 71990542 AWRDMMBKLQAZBE-SFHVURJKSA-N 286.419 2.692 0 1 CFAF COc1ccccc1NC(=O)n1nc(N)c2ccccc21 40392986 XSOXUCHMMGFZBD-UHFFFAOYSA-N 282.303 2.707 0 1 CFAF CC(=O)OCCCN1C(=O)CCC12CCC(C)CC2 96019349 AMIXFJFQVLWSNU-UHFFFAOYSA-N 267.369 2.511 0 3 CFAF O=c1c2sc3ccccc3c2nnn1-c1ccccc1 299838498 MWCRQVSXLLQUNX-UHFFFAOYSA-N 279.324 2.995 0 1 CFAF C[C@](O)(c1ccc2c(c1)OCO2)c1ncnc2ccccc12 299866367 OSGWDVRNKPOLQG-KRWDZBQOSA-N 294.310 2.614 0 1 CFAF CCOC(=O)[C@@H]1C(=O)C[C@H](C(C)(C)C)N[C@H]1C(C)(C)C 299846649 WDULTXCKYVVYNM-JHJVBQTASA-N 283.412 2.558 0 1 CFAF CCCC[C@@H]1CCc2cc3c(O)nc(O)nc3nc21 587561196 FFIBOJNWNNULOE-MRVPVSSYSA-N 259.309 2.656 0 1 CFAF O=C(O)c1ccc2nc(COc3ccc(F)cc3)[nH]c2c1 587169514 YEBQPKQVSSDAFE-UHFFFAOYSA-N 286.262 2.979 0 1 CFAF NC1CCC(c2nc3cc(C(F)(F)F)ncc3[nH]2)CC1 587256295 DUIJUUOPRVFMMT-UHFFFAOYSA-N 284.285 2.962 0 1 CFAF Cc1ccc(OCc2nc3nc(Cl)c[nH]c-3n2)cc1 587565353 CQJWVGUOGBHCSK-UHFFFAOYSA-N 274.711 2.845 0 1 CFAF Cc1c(Cn2cncn2)[nH]c2cc(Cl)c(F)cc12 587632170 RDMWSSAPIQLANY-UHFFFAOYSA-N 264.691 2.909 0 1 CFAF CCOC(=O)[C@H](C(C)=O)c1cc2c3c(cccc3n1)CC2 587211126 CICJLFWMNYUUBN-OAHLLOKOSA-N 283.327 2.569 0 1 CFAF CSc1ccc2nc(-c3nn(C)c(O)c3F)[nH]c2c1 587156143 WMXVCARAESGYOL-UHFFFAOYSA-N 278.312 2.530 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccccc1C=O)[C@@H](C2)C3=O 587446009 RDMCVHYNWPTFQR-KSSFIOAISA-N 294.306 2.996 0 1 CFAF O=C(O)c1cc2nc(-c3cccc(CO)c3)[nH]c2cc1F 586895034 MAVBLUPWSNWDLA-UHFFFAOYSA-N 286.262 2.560 0 1 CFAF O=C(NCC1CCCCC1)c1cc2cnccc2[nH]1 929161335 WQAOIKREBALUNB-UHFFFAOYSA-N 257.337 2.873 0 1 CFAF CN1C=CN(COC/C=C/c2ccccc2)C1=CN=O 1857539183 LOCSPVYGOQOOIN-ISFHODSMSA-N 271.320 2.958 0 1 CFAF COC(=O)c1cc2occc2n1CC(=O)C(C)(C)C 1772626386 HQQUYSSJKMGPAB-UHFFFAOYSA-N 263.293 2.636 0 1 CFAF CNC(=O)Oc1cccc2c1SC[C@@H]1CCN(C)[C@H]21 13585223 HDQBOOHWHLECAC-CABZTGNLSA-N 278.377 2.503 0 1 CFAF COc1cc([C@@H]2COc3cc(O)ccc3C2)ccc1O 14811608 BMADVHDZKAZTNF-LBPRGKRZSA-N 272.300 2.825 0 1 CFAF endogenous,in-man CCC[C@@H]1C(C(=O)OCC)=C(C)N=C(C)[C@@H]1C(=O)OC 169714768 ZRKHGRYEMRYQCJ-RYUDHWBXSA-N 281.352 2.504 0 1 CFAF Cc1cccc(-c2noc(C[C@H]3CN4CCC3CC4)n2)c1 1857538886 TWRPCWHFFRWZFX-HNNXBMFYSA-N 283.375 2.929 0 1 CFAF CCC(=O)N[C@@H]1Cc2cccc3ccc(OC)c(c23)C1 13757229 AFVZJQYIPSPCKZ-CYBMUJFWSA-N 269.344 2.842 0 1 CFAF O=C(O)c1ccc2c(c1)OCc1ccccc1C2=O 113942682 AXWXDCGEUNQHKT-UHFFFAOYSA-N 254.241 2.508 0 1 CFAF C[C@]1(CO)CCC[C@]2(C)c3ccc(O)cc3[C@H](CO)[C@H]12 2356505001 MTNURUQAWCRCEW-RKTXRCNFSA-N 276.376 2.538 0 1 CFAF CC(C)Oc1cccc2c1N=C(NCC(F)F)N[C@@H]2C 29130899 ADOGGHZNEGBRNB-SECBINFHSA-N 283.322 2.980 0 1 CFAF CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1ccc(O)cc12 26292455 SWSWMDIANWWRGX-IRXDYDNUSA-N 273.376 2.917 0 1 CFAF CCCCCCOc1ccc2c(c1)CN1CC(=O)NC1=N2 26265016 NWBLMLPYOHWEBI-UHFFFAOYSA-N 287.363 2.579 0 1 CFAF COc1ccc(C2=CC(C(F)(F)F)=NCCN2)cc1 20458919 MVFLVBNFLGBWOI-UHFFFAOYSA-N 270.254 2.643 0 1 CFAF Cc1cc[n+](CCCN2C=CC(=CN=O)C=C2)cc1 136939950 SCQPIVNNERDGNI-UHFFFAOYSA-N 256.329 2.666 0 1 CFAF in-vivo Fc1cccc(O[C@H](c2ccccc2)[C@H]2CNCCO2)c1 40950321 XVDZZRJNPDNTBI-IAGOWNOFSA-N 287.334 2.934 0 1 CFAF CN1C(=O)CC[C@@]2(C)c3c(c4cc(O)ccc4n3C)CC[C@H]12 40564393 GCSABMRAHKPUAM-MAUKXSAKSA-N 298.386 2.709 0 1 CFAF O=C(Nc1cnccn1)Nc1ccnc2ccccc12 43195057 LNIDFQVRZCDVBI-UHFFFAOYSA-N 265.276 2.669 0 1 CFAF Cc1ccc([C@@H]2NC(=O)c3n[nH]c(C(C)C)c32)cc1 199730103 PWSZCVGTTWRTGD-ZDUSSCGKSA-N 255.321 2.674 0 3 CFAF Cc1cc(C(=O)/C(C#N)=N/Nc2cccc(Cl)c2)no1 147830007 YJKOZZKYQWCKCA-SFQUDFHCSA-N 288.694 2.811 0 1 CFAF O=C1Nc2ccccc2[C@@]12CN[C@@H](c1ccccc1)C2 95579080 PGXAHOLPACHBCW-NVXWUHKLSA-N 264.328 2.611 0 1 CFAF CC(=O)O[C@H](C)CCC/C=C/C[C@H](O)/C=C/C=C/C(=O)O 238734292 CFFRJDASPYBVKV-XMUXOCQBSA-N 296.363 2.613 0 1 CFAF COC(=O)[C@H]1[C@H](c2ccc(C)c(F)c2)C[C@H]2CC[C@H]1N2C 253640535 ZIXPADCAHDMWPA-CLWVCHIJSA-N 291.366 2.873 0 1 CFAF O=C(Nc1scnc1-c1nc2ccccc2[nH]1)NC1CC1 473135355 OJRXRGXLOGKLJB-UHFFFAOYSA-N 299.359 2.970 0 1 CFAF Cc1noc(-c2c(C)[nH]c3c(C(=O)O)cccc23)n1 587638691 IVUQQOFRWVDZQF-UHFFFAOYSA-N 257.249 2.533 0 1 CFAF CCc1ccccc1NC(=O)c1nc2nc(OC)ccc2[nH]1 587241592 XWWVSWIAUCVVOP-UHFFFAOYSA-N 296.330 2.781 0 1 CFAF CC(C)(SCC(=O)O)c1nc2cccc(F)c2[nH]1 586959718 POGSUOSIAJBPGY-UHFFFAOYSA-N 268.313 2.755 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C)nc1N)O2 587388625 FIWAXVXKCIDRHP-AWEZNQCLSA-N 283.331 2.569 0 1 CFAF Nc1ccnc2[nH]c(/C=C/c3ccc(F)cc3F)nc12 587148835 ALAXKZWNWOINLE-DUXPYHPUSA-N 272.258 2.989 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C)N(C3CC3)C1)O2 587396950 YAMKAKLAVNXLPN-DIFFPNOSSA-N 286.375 2.538 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ncccc1F)[C@@H](C2)C3=O 587428430 ZHVCLIWOJGYYIN-MGPLVRAMSA-N 285.274 2.718 0 1 CFAF O=C(O)/C=C\c1ccccc1-c1nc2cccnc2[nH]1 586880883 UEZWWMZQIGTWHN-FPLPWBNLSA-N 265.272 2.723 0 1 CFAF CC1(C)OC(=O)C[C@@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 586906131 BUQGAAOEPSZAJV-RXMQYKEDSA-N 284.237 2.789 0 1 CFAF N[C@@H](Cc1nc2cc(F)cnc2[nH]1)c1ccccc1Cl 587055946 GCXJVULQXMZVKL-NSHDSACASA-N 290.729 2.993 0 1 CFAF CN1C=CN(COCC2CCCCC2)C1=CN=O 1857573321 TZWZRRWSJYZVDA-UHFFFAOYSA-N 251.330 2.825 0 1 CFAF COc1cc2ccnc3ccn4c(c1N=C(O)C4)c23 14589713 WAASJWBXWZGZQU-UHFFFAOYSA-N 253.261 2.800 0 1 CFAF Nc1nc(O)c2c(n1)OCC(CCCCc1ccccc1)=N2 169334520 XHVBKALUMNKOEW-UHFFFAOYSA-N 298.346 2.642 0 1 CFAF CCc1ccc(CSc2c[nH]c(=O)c(O)c2)cc1 206333823 AWXZDULWNKGIFU-UHFFFAOYSA-N 261.346 2.935 0 1 CFAF Oc1ccc(Nc2nc3ccccc3n3cnnc23)cc1 4910435 OKBREIYKLVBONX-UHFFFAOYSA-N 277.287 2.727 0 1 CFAF CC(C)Nc1cc(-c2ccccc2)nc2nncn12 6742996 GIMQIMLUMJBHIT-UHFFFAOYSA-N 253.309 2.612 0 1 CFAF CCNC1=NN=C(c2c[nH]c3ccccc23)CS1 101576666 RTVWFRWPDMGZSQ-UHFFFAOYSA-N 258.350 2.584 0 1 CFAF COC(=O)/C=C/[C@H]1[C@@H](c2ccccc2)C[C@H]2CC[C@H]1N2C 100913127 OMLSVYSQLRWXNO-LQTSVIBYSA-N 285.387 2.982 0 1 CFAF CN1CCN(c2nc(-c3ccoc3)nc3ccccc23)CC1 64610463 JPUZNDDDHTTZTP-UHFFFAOYSA-N 294.358 2.642 0 1 CFAF COc1cc(C)c(C[C@]2(CO)C(=O)CC[C@@H]2C)c(OC)c1 2356324363 QNUWWXUBTHSGPY-YVEFUNNKSA-N 292.375 2.532 0 1 CFAF CC[C@@]12CCN(CC3CC3)C[C@@H]1Oc1c(O)cccc12 45335917 UUUPIUUFWWDTDL-RDJZCZTQSA-N 273.376 2.917 0 1 CFAF CO[C@@H]1CC[C@H]1N1C(=O)CS[C@H]1c1c(F)cccc1F 42878670 DOYWPVHFSLHLKP-GYSYKLTISA-N 299.342 2.716 0 1 CFAF CN(Cc1cc(O)n[nH]1)c1ccc2ccccc2c1 95582777 DHZCZCJWIKJXNV-UHFFFAOYSA-N 253.305 2.905 0 1 CFAF O=c1nc2n(c3ccccc13)CC/C2=C\c1ccoc1 653905725 GBTYEXODPPLHBS-FMIVXFBMSA-N 264.284 2.934 0 1 CFAF C[C@@H](F)[C@@H](N)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587124270 MFBYJIIAUVTZNT-ANRSDYALSA-N 299.353 2.752 0 1 CFAF Nc1ccc(/C=C\c2nc3ccc(CCO)cc3[nH]2)cc1 587251642 KSAYWUBSMJIXMR-YWEYNIOJSA-N 279.343 2.850 0 1 CFAF FC1(F)Oc2cc3nc(CCOCC4CC4)[nH]c3cc2O1 587783423 BBZRXXKZTIHUBE-UHFFFAOYSA-N 296.273 2.854 0 1 CFAF COc1cc2[nH]c(/C=C/C=C\C(=O)O)nc2cc1Cl 587964873 DNEBHFGJYWEKFH-HZDAAVBUSA-N 278.695 2.879 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H]3CC(=O)C[C@H]3C1)O2 587408957 RUHQKJKJRWHURJ-QWRGUYRKSA-N 285.343 2.670 0 1 CFAF O=C1C[C@@]2(CCCNC2)Oc2c1ccc1c2CCCC1 587521573 CMLHJUXMBJZHEX-QGZVFWFLSA-N 271.360 2.653 0 1 CFAF COc1cccc(/C=C/c2ccc3c(O)nc(O)nc3n2)c1 587560237 YRGVQZXQSZQXLT-AATRIKPKSA-N 295.298 2.615 0 1 CFAF Cc1c(F)ccc2nc(-c3c(N)cccc3O)[nH]c12 587249146 CLWBLSHGXPUKKO-UHFFFAOYSA-N 257.268 2.965 0 1 CFAF Oc1ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 586901787 ICRQJXXAJDQSGT-SWLSCSKDSA-N 266.300 2.838 0 1 CFAF Fc1cccc([C@H]2C[C@@H]2c2nc3ncc[nH]c-3n2)c1 587161442 OENKBEMQVPYZOT-MNOVXSKESA-N 254.268 2.715 0 1 CFAF O=[P@@]1(Oc2ccccc2)Cc2cnccc2CN1 13223295 JHEWROPSJRNKOB-GOSISDBHSA-N 260.233 2.957 0 1 CFAF Cc1nc(N2CCOCC2)c2[nH]c(-c3ccccc3)cc2n1 13834994 NKXMCMLNRMDHQV-UHFFFAOYSA-N 294.358 2.770 0 1 CFAF COCOc1ccc(C[C@H]2Cc3cccc(O)c3C2=O)cc1 1857637770 AXASWQINHKBQHT-AWEZNQCLSA-N 298.338 2.973 0 1 CFAF O=C1O[C@@H]([C@H]2Cc3ccccc3C2=O)c2ccccc21 1646150 ZWKQKSLGBZLXER-GOEBONIOSA-N 264.280 2.953 0 1 CFAF CO[C@]1(C(=O)c2cc(O)c(C)c(O)c2)CCC[C@H](C)O1 2356359949 WEKNWYDAJJMTCQ-BJOHPYRUSA-N 280.320 2.521 0 1 CFAF Cc1cc(Nc2ccc(Cl)cc2)n2cnnc2n1 6742930 ODRDQAVURVBQOW-UHFFFAOYSA-N 259.700 2.830 0 1 CFAF CCCCc1nc2cc(C3=NNC(=O)C[C@H]3C)ccc2[nH]1 28755676 URWCDYIFXDPUQK-SNVBAGLBSA-N 284.363 2.766 0 1 CFAF COc1ccccc1CNC(=O)[C@@H]1CCc2cnccc2C1 29234467 SCQLOWZCTQGIIK-CQSZACIVSA-N 296.370 2.512 0 1 CFAF C[C@@H](c1ccc2c3c(c(=O)[nH]c2c1)CCCN3)N(C)C 118733881 LCDJKORPUPZVMK-JTQLQIEISA-N 271.364 2.509 0 1 CFAF O=C1c2cccc3cc4c(c(c23)[C@]12C=C[C@@H](O)CC2)OCO4 2356471800 ZLVIXJUPJFVQEA-ADLMAVQZSA-N 294.306 2.714 0 1 CFAF COC1=CCC2=C(CCN[C@H]2Cc2cccc(O)c2)C1 32203948 FQAUPMMXILHXTE-KRWDZBQOSA-N 271.360 2.917 0 1 CFAF COc1nccc([C@@H](C#N)c2nc3ccccc3s2)n1 34040208 PKNYJVSQHRVGTB-SECBINFHSA-N 282.328 2.750 0 1 CFAF Cc1ccccc1N1CCN(C(=O)c2ccc[nH]2)[C@H](C)C1 77538198 PYRKEBITALZIME-CQSZACIVSA-N 283.375 2.674 0 1 CFAF Cc1cccc(-c2nc(Cn3nc(N)cc3C)co2)c1 72186033 IGDMWLZNYNLNFP-UHFFFAOYSA-N 268.320 2.785 0 1 CFAF Cc1nc2nc(N3CCC[C@H]4CCCC[C@@H]43)ccc2[nH]c1=O 82231662 VRWPWNJEFRFRTF-OCCSQVGLSA-N 298.390 2.786 0 1 CFAF Nc1nc2ccccc2c2c1nnn2Cc1ccccc1 49785510 DRSVIYDSOHXOTA-UHFFFAOYSA-N 275.315 2.610 0 1 CFAF CCOCc1ccc(-c2nc3c(OC)nccc3[nH]2)o1 586904012 XOVXONJWPUPMMD-UHFFFAOYSA-N 273.292 2.763 0 1 CFAF Cc1cncc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c12 587158577 XSDUHXUQZYXFNW-BZNIZROVSA-N 282.322 2.747 0 1 CFAF Cc1nccc2[nH]c(C[C@H]3CCc4occc4C3=O)nc12 586907268 LDZLJYDIAJRCFF-SNVBAGLBSA-N 281.315 2.847 0 1 CFAF COc1cccc2nc(-c3cccc(NC(N)=O)c3)[nH]c12 587241329 BEGNGASYKIIBRP-UHFFFAOYSA-N 282.303 2.729 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CC[C@@H]1CC3=O)O2 587408587 QFYIOKYKOUXVLB-AGKHESDQSA-N 285.343 2.670 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1c(C)noc1C)[C@@H](C2)C3=O 587436594 RVSXPVXKXVOUOO-YVEFUNNKSA-N 299.326 2.963 0 1 CFAF Cc1ccnc2[nH]c(-c3cc(F)c(F)c(N)c3F)nc12 587136476 IOYLZTRUTYGRLO-UHFFFAOYSA-N 278.237 2.933 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc3[nH]ccnc1-3)O2 587396717 OBPCZTYJJRXHIS-ZDUSSCGKSA-N 294.314 2.507 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)N(C)C[C@@H]1C)O2 587396565 UHLHSMFNRRVLIO-PRXAMGSTSA-N 288.391 2.641 0 1 CFAF c1cc2[nH]c(C[C@H]3OCCc4ccsc43)nc2cn1 587035336 PAVBSIHWICAVLZ-GFCCVEGCSA-N 271.345 2.876 0 1 CFAF Cc1cncc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c12 586923952 BIWSUXPDOMONNI-BQYQJAHWSA-N 299.355 2.711 0 1 CFAF CC1=NN2C(=O)[C@@H](C)Oc3ccc(Cl)cc3[C@H]2C1 1857635247 LJKDANBTXNEGAI-LDYMZIIASA-N 264.712 2.770 0 1 CFAF CC[C@H](C)[C@@H](C(=O)OC)n1sc2ccccc2c1=O 1772607747 HFFNPMIQZTUBGB-CABZTGNLSA-N 279.361 2.823 0 1 CFAF COc1c(O)cc2c(c1OC)-c1ccc(O)cc1CC2 14650893 NWPBSPADEDDKAO-UHFFFAOYSA-N 272.300 2.881 0 1 CFAF biogenic COc1ccc2c(c1OC)CC[C@H]1[C@H]2CCCN1C 169345335 GUFINXCWNIXYJX-JSGCOSHPSA-N 261.365 2.828 0 1 CFAF Cc1ccc(C(=O)NCc2ccco2)cc1N1CCCC1=O 4991259 CXYGGFHVFKXABT-UHFFFAOYSA-N 298.342 2.645 0 1 CFAF CN1CC[C@@H]2[C@@H](NC(=O)c3ccc(F)cc3)CCC[C@H]2C1 26186858 ZXUXBBXHJDRZIY-BPUTZDHNSA-N 290.382 2.676 0 1 CFAF O=C1c2cccc3cccc(c23)CN1[C@@H]1CN2CCC1CC2 27749032 VCHJWOMYKAVXSP-QGZVFWFLSA-N 292.382 2.890 0 1 CFAF O=C1NC2=Nc3ccccc3NC2=Nc2ccccc21 101597490 FAGGHIYIVJXLNL-UHFFFAOYSA-N 262.272 2.616 0 1 CFAF CSc1ncnc2c1ncn2[C@H](C)c1cccc(O)c1 29557775 LCBKDQXXLOFNAL-SECBINFHSA-N 286.360 2.863 0 1 CFAF CC(=O)O[C@@H]1C[C@H](C)[C@H]2C[C@H]3CC[C@@](C)(OC3)[C@@H]12 2356563140 RIOVTHASCWPDPA-PDAWATHFSA-N 252.354 2.779 0 1 CFAF CS(=O)(=O)Nc1ccncc1Nc1ccccc1Cl 49031266 YFULQFFHNIVGPN-UHFFFAOYSA-N 297.767 2.850 0 1 CFAF COC[C@@H](C)Nc1cc(-c2cccc(OC)c2)ncn1 82161369 PAJYAZBDSUJCQJ-LLVKDONJSA-N 273.336 2.599 0 1 CFAF C[C@@H](O)C[C@@H]1CCC[C@@H](C[C@H](O)c2ccccc2)N1C 238774784 VYSOSWOCGBPIDU-IWCQGFGOSA-N 277.408 2.734 0 1 CFAF CN1CCO[C@@](O)(c2ccc(C3CCCCC3)cc2)C1 473122312 IVIZMNTXSFEUDG-QGZVFWFLSA-N 275.392 2.841 0 1 CFAF O=C1C[C@H](c2ccc(O)cc2O)Oc2cccc(O)c21 653762947 KGBOMXPLTHHFOD-CQSZACIVSA-N 272.256 2.510 0 1 CFAF CC[C@]1([C@@H](C)C(=O)OC)CC(=O)c2cc(C)cc(N)c2O1 587400290 QBSIAKWLVUIWTE-MGPLVRAMSA-N 291.347 2.500 0 1 CFAF CCC[C@H]1CCCc2cc3c(O)nc(O)nc3nc21 587562028 NTEGMZSCRHNKHW-QMMMGPOBSA-N 259.309 2.656 0 1 CFAF Nc1cc(C(=O)O)cc(-c2nc3ccc(Cl)nc3[nH]2)c1 587248695 BHWDDUNZKAJEBF-UHFFFAOYSA-N 288.694 2.559 0 1 CFAF CCCc1nonc1NC(=O)CCc1ccccc1 76627238 PMPOPIZQGXBMGE-UHFFFAOYSA-N 259.309 2.593 0 1 CFAF CCC(=O)c1ccc2c(c1)sc(=O)n2C(=O)CC 13779226 PPKQMPGSPPSHKB-UHFFFAOYSA-N 263.318 2.706 0 1 CFAF Oc1c(-c2cccs2)nnc2nc3ccccc3n12 13803756 PELGCIVBISNCKE-UHFFFAOYSA-N 268.301 2.712 0 1 CFAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1cccs1 169371918 ZLWKHMNSEAGVBX-BOXJJCJZSA-N 289.400 2.787 0 1 CFAF COc1cc(-c2cccc(C(=O)N(C)C)c2)cc(C=O)c1O 169699642 RXHNRHHFIVPMRK-UHFFFAOYSA-N 299.326 2.582 0 1 CFAF COc1cc(OC)cc(-c2cc3nccnc3[nH]2)c1 13492950 YOIQNVSHTXFKAL-UHFFFAOYSA-N 255.277 2.642 0 1 CFAF CCCN(C)C(=O)Oc1nonc1-c1ccccc1 21659 AZEBZKHBYAXLDW-UHFFFAOYSA-N 261.281 2.577 0 1 CFAF c1ccc(CSc2nncn2-c2ccccn2)cc1 420412 DSPRGQGRAHHPRJ-UHFFFAOYSA-N 268.345 2.955 0 3 CFAF CCOC(=O)c1sc(=N)n(-c2ccc(OC)cc2)c1C 3862415 KHPHSWOODASBCY-UHFFFAOYSA-N 292.360 2.512 0 3 CFAF CC1=CCC[C@H](C)[C@H](C)OC(=O)C=C[C@](C)(O)C=C[C@@H]1O 2356401875 RLNOIXQIRICASI-NZUILWFCSA-N 294.391 2.519 0 1 CFAF Cc1nc2ncnn2c2c1C[C@H](C)N2Cc1ccccc1F 28022497 LTBACEABSGBZHT-JTQLQIEISA-N 297.337 2.523 0 1 CFAF O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(S)cc1)[C@H]1C=C[C@H]2CC1 103213007 IBIAKHLCUNGCGL-NUZBWSBOSA-N 285.368 2.677 0 1 CFAF CCCCC(=O)c1c(OC)cc(OC)cc1C(=O)O 28821234 RIMROAZGOHVNPC-UHFFFAOYSA-N 266.293 2.775 0 1 CFAF CC(C)N[C@@H](C)[C@@H](O)COc1ccc2ccccc2c1 28766243 PZPAJMWFOHJPAQ-GUYCJALGSA-N 273.376 2.966 0 1 CFAF C=Cc1ccc([C@H]2C[C@@H]3CC[C@@H](N3)[C@@H]2C(=O)OC)cc1 27322583 KHYFCJWXLVZFLY-ZJIFWQFVSA-N 271.360 2.727 0 1 CFAF Cc1cc(=O)[nH]c2ccc3c(c12)COc1cccc(CO)c1-3 29043411 HNYRSZRBOVPOHQ-UHFFFAOYSA-N 293.322 2.888 0 1 CFAF Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1[C@@H]1CCNC1 67784661 KWSLYNKVCIIAOH-CQSZACIVSA-N 293.374 2.783 0 1 CFAF Cc1ccc(Cl)cc1N1C(=O)[C@H](C)N(C)C1=S 27758527 SDOZIOYAYKITSR-QMMMGPOBSA-N 268.769 2.600 0 1 CFAF C[Si](C)(C)C[C@](O)(Cn1cncn1)c1ccccc1 195952847 XOHQNFNJPZGPHV-CQSZACIVSA-N 275.428 2.504 0 1 CFAF CCCCCc1cn(C[C@H]2Cc3cc(C=O)ccc3O2)nn1 45287506 CTJIVISVEYYFHX-MRXNPFEDSA-N 299.374 2.827 0 1 CFAF COc1ccc(-c2cnc3ccc(NCC4CC4)nn23)cn1 147101973 NMIKYSJRYKGBMG-UHFFFAOYSA-N 295.346 2.622 0 1 CFAF OC[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccs1 253637993 MUJMCJPASLGZMK-NJZXYADJSA-N 261.390 2.607 0 1 CFAF O=C(O)c1cc2nc(-c3ccccc3)oc2cc1O 473081470 CKHOKHXPJMVIGV-UHFFFAOYSA-N 255.229 2.899 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(C)n1)O2 587394724 ZMQWTPVNGDXKTR-HNNXBMFYSA-N 268.316 2.987 0 1 CFAF CCOC(=O)[C@@H](C(C)=O)c1cc2c3c(cccc3n1)CC2 587211125 CICJLFWMNYUUBN-HNNXBMFYSA-N 283.327 2.569 0 1 CFAF CC(C)(C)c1cccc2nc(C[C@H]3COCCO3)[nH]c12 586909486 GJAHWDCJRWUPAM-NSHDSACASA-N 274.364 2.818 0 1 CFAF Cc1cnc2[nH]c(Cc3cc(F)cc4c3OCOC4)nc2c1 587172148 XHIMWJGZGYSAIH-UHFFFAOYSA-N 299.305 2.863 0 1 CFAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(N)c(N)cc3[nH]2)cc1 586889610 MHQWBGSJRZQUMW-HWPZZCPQSA-N 296.374 2.873 0 1 CFAF Nc1cc(F)c(-c2nc3c(F)cnc(Cl)c3[nH]2)cc1N 587137171 RGPGLDFFAFGFDS-UHFFFAOYSA-N 295.680 2.721 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1N)O2 587388824 GYPXAMKOFDAYCS-HNNXBMFYSA-N 268.316 2.866 0 1 CFAF COc1cc2c3c(c1)O[C@H](C[C@@H](C)SC)[C@@H](C2)C3=O 587448710 MCUOSFGNIMLAHZ-GGZOMVNGSA-N 278.373 2.953 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccccc1N)[C@@H](C2)C3=O 587433292 QDAANMKIOFUSRI-YVEFUNNKSA-N 281.311 2.766 0 1 CFAF COc1cnc(-c2nc3nccc(C)c3[nH]2)cc1Cl 587064238 FZWIPIYYHMNYTR-UHFFFAOYSA-N 274.711 2.990 0 1 CFAF Oc1cccc([C@@H](O)c2nc3c(F)cnc(Cl)c3[nH]2)c1 586893815 WTLCQOIFUNUWBU-LLVKDONJSA-N 293.685 2.538 0 1 CFAF Cc1sc2nnn(-c3ccc(F)cc3)c(=O)c2c1C 1857602026 JHLPKLMFBIDNCK-UHFFFAOYSA-N 275.308 2.598 0 1 CFAF CC[C@@H]1O[C@@]2(C)C[C@H](S(=O)(=O)c3ccccc3)C[C@@H]1O2 5722196 KYUURSSCXNRXMX-CBBWQLFWSA-N 296.388 2.533 0 1 CFAF COc1ccc2c(c1C)[C@](C)(O)c1c(C)coc1C2=O 13299958 HCDROHXQHZUWFS-MRXNPFEDSA-N 272.300 2.705 0 1 CFAF O=c1cc(CCc2ccc(O)cc2)oc2ccc(O)cc12 14455458 ZEEYITCRNXWBJA-UHFFFAOYSA-N 282.295 2.989 0 1 CFAF biogenic,in-vitro O=C(O)Cc1ccc2c(c1)Oc1ccccc1CO2 29223888 MREFHNNUMIAIHP-UHFFFAOYSA-N 256.257 2.998 0 1 CFAF in-vivo CC(C)NC(=N)c1ccc(NC(=O)c2ccco2)cc1 1663224 JEXPQRODLQMBLQ-UHFFFAOYSA-N 271.320 2.855 0 1 CFAF CO[C@@H](C)CN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C 100796777 OYOSCGNGSBDVQJ-UHIXZJCNSA-N 289.419 2.951 0 1 CFAF Cc1nc(C)nc(NCc2ccc(Br)cc2)n1 103272811 WVVNLYWQIUGUMP-UHFFFAOYSA-N 293.168 2.863 0 1 CFAF CCc1nnc2c(N(CC)CC)nc3ccc(OC)cc3n12 26293454 FLHYALNCDIJUPF-UHFFFAOYSA-N 299.378 2.695 0 1 CFAF COc1cc(NC(=O)[C@H]2Cc3ccccc3N2)cc(OC)c1 64274678 ATYYWTXMLJOVIK-MRXNPFEDSA-N 298.342 2.679 0 1 CFAF CCC(=O)N1CC[C@]1(C)C(=O)Nc1cccc2cccnc12 61895493 ZXGGURZMRNXWET-QGZVFWFLSA-N 297.358 2.574 0 3 CFAF C[C@@H]1CO[C@@](CCc2ccccc2)(Cn2ccnc2)O1 39302508 OTDWYEYGTNDBTN-GDBMZVCRSA-N 272.348 2.648 0 1 CFAF Cc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1 49048114 WJBVKTYQLWGNGE-UHFFFAOYSA-N 269.308 2.702 0 1 CFAF C[C@H]1[C@@H]2Cc3ccc4[nH]nnc4c3[C@@]1(C)CCN2CC1CC1 40900708 CZRWDWGQXCPHDZ-GYOIFBIXSA-N 296.418 2.892 0 1 CFAF CCc1ccc(Nc2cnccc2NS(C)(=O)=O)cc1 49013670 NSJUWRLCXVJHGO-UHFFFAOYSA-N 291.376 2.759 0 1 CFAF COc1ccc(C2=NC(C)(C)C(C)(C)N2O)c(OC)c1 40863531 VJMFRZQTIKYETM-UHFFFAOYSA-N 278.352 2.712 0 1 CFAF CN(CCO)CCCNc1ccnc2cc(Cl)ccc12 95591037 TVUXDNZXUJIDPH-UHFFFAOYSA-N 293.798 2.614 0 1 CFAF Cc1cc2cc(NC(=O)c3cccc(N)n3)ccc2[nH]1 353496367 AUGXHVUNGVMUBF-UHFFFAOYSA-N 266.304 2.706 0 1 CFAF Fc1ccc(/C=C/c2nc3cnncc3[nH]2)c(F)c1 587148928 BSJKFSATPJYRKD-DUXPYHPUSA-N 258.231 2.802 0 1 CFAF Oc1nc(O)c2ccc(-c3cc(F)cc(F)c3F)nc2n1 587368729 WCGRYHNKUOTHDY-UHFFFAOYSA-N 293.204 2.520 0 1 CFAF O[C@@H](c1nc2cc(Cl)c(F)cc2[nH]1)C1CCOCC1 586913828 QEBDHJJCDZDAKW-GFCCVEGCSA-N 284.718 2.815 0 1 CFAF Oc1cccc([C@H](O)c2nc3ccc4ncccc4c3[nH]2)c1 586892007 QQKDTQNGJJPJBZ-INIZCTEOSA-N 291.310 2.898 0 1 CFAF OCc1ccc(F)c(-c2nc3c(Cl)ccnc3[nH]2)c1 587140175 HUCGSCPOPLIPKK-UHFFFAOYSA-N 277.686 2.910 0 1 CFAF COc1cccc(CCc2nc3cnccc3[nH]2)c1 587932531 ZVAKADOPZZNDAK-UHFFFAOYSA-N 253.305 2.752 0 1 CFAF C[C@H](O)[C@]1(C)c2ccsc2CCN1Cc1ccco1 962711727 USYSSLVYBLLJJI-XHDPSFHLSA-N 277.389 2.995 0 1 CFAF CCC[C@@]1(CCC(=O)O)Cc2cc3c(cc2C1=O)OCO3 169321899 LYIDLOABLPNLRK-MRXNPFEDSA-N 290.315 2.805 0 1 CFAF O=C(Nc1n[nH]c2cc(C3=CC[C@H](O)CC3)ccc12)C1CC1 1772604012 XJEBAAAKHCJUSF-ZDUSSCGKSA-N 297.358 2.840 0 1 CFAF COc1ccc2ccc(=O)oc2c1C[C@H](O)C(C)(C)Cl 13386834 OSKJVDPXHKUPIU-LBPRGKRZSA-N 296.750 2.722 0 1 CFAF NCCc1c[nH]c(CCCCCc2ccccc2)n1 13531748 SUOANLAYTVIAIR-UHFFFAOYSA-N 257.381 2.866 0 1 CFAF CC(C)Sc1nc2c([nH]c3ccccc32)c(=O)n1C 13878711 ZZKXQGAEKPYDRT-UHFFFAOYSA-N 273.361 2.915 0 3 CFAF CCc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1C 150012455 QJZFZXCOJLAGNQ-MRXNPFEDSA-N 298.390 2.752 0 1 CFAF CC(C)N(CCn1c(=O)ccc2cccnc21)C(C)C 169336354 NUAWZJHXTTWCPG-UHFFFAOYSA-N 273.380 2.515 0 1 CFAF O=C(Nc1nnc(-c2ccncc2)o1)c1ccccc1F 4107496 KPHQVMAYLOKTSV-UHFFFAOYSA-N 284.250 2.523 0 3 CFAF Cc1oc2ncnc(NC3CCCC3)c2c1C(=O)O 6738766 CMCUXAAOXMPDJM-UHFFFAOYSA-N 261.281 2.584 0 1 CFAF CN(C)CCCNc1[nH]ccc2nc3ccc(O)cc3c1-2 100907213 JOMSEDAYUQAMNV-UHFFFAOYSA-N 284.363 2.737 0 1 CFAF Cc1cccc(N2C(=O)[C@H]3CC=C[C@@H](C)[C@@H]3C2=O)c1 104651638 HLDZTPNEVSSEBN-XBFCOCLRSA-N 255.317 2.697 0 1 CFAF CCCNC1=C(c2cccc(Cl)c2)C(=O)OC1 66097427 RCHQDORNKLNJBH-UHFFFAOYSA-N 251.713 2.608 0 1 CFAF O=C(CCc1ccc(F)cc1)c1c(O)cc(O)cc1O 113873564 GUQXYRQMPRGTNQ-UHFFFAOYSA-N 276.263 2.758 0 1 CFAF CCNc1nc2cc(OC)c(OC)cc2nc1NCC 115765103 QZUBRJHMIXSERC-UHFFFAOYSA-N 276.340 2.511 0 1 CFAF COC(=O)c1ccccc1Nc1nc(Cl)nc(Cl)n1 32264005 CIIPLKAVIWUCEI-UHFFFAOYSA-N 299.117 2.709 0 1 CFAF Cn1nc(-c2cccc(O)c2)nc1-c1ccc(O)cc1 40835417 MICRUZUIRCXPDP-UHFFFAOYSA-N 267.288 2.560 0 1 CFAF CC(C)Cn1cc(-c2ccccc2)nc1-c1nonc1N 49089380 ILJNSSZIEPAUIQ-UHFFFAOYSA-N 283.335 2.838 0 1 CFAF CCCC(=O)N1CCC[C@]2(CC[C@@H](CCC(C)=O)O2)C1 96019036 NNNCFWBJKLWANC-ZBFHGGJFSA-N 281.396 2.696 0 3 CFAF COc1ccccc1CN1CC[C@@H](c2nccc(C)n2)C1 299850949 PUVHNQKSNYVJIJ-OAHLLOKOSA-N 283.375 2.783 0 1 CFAF Fc1cccc([C@H]2C[C@H]2c2nc3cncnc3[nH]2)c1 587161111 JZLFPVAZASRQII-GHMZBOCLSA-N 254.268 2.763 0 1 CFAF CNc1c(F)cccc1-c1nc2nc(Cl)c[nH]c-2n1 587136384 ZKPYANNPXPTHSW-UHFFFAOYSA-N 277.690 2.806 0 1 CFAF CC[C@@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651714 CQCLNHNNHFDUEX-MRVPVSSYSA-N 264.712 2.736 0 1 CFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOC2 587618260 SUYGZDKBSUSHTJ-RHSMWYFYSA-N 298.294 2.513 0 1 CFAF Nc1c(F)cc(-c2nc3c(Cl)ncnc3[nH]2)cc1F 587134258 CZHPERVDDMJJFH-UHFFFAOYSA-N 281.653 2.534 0 1 CFAF O=C1c2ccccc2-c2cc(CCO)nc3ccc(O)c1c23 586990635 MKXRIDFINVIPEA-UHFFFAOYSA-N 291.306 2.687 0 1 CFAF C[C@H](CCC(=O)O)Cc1nc2cc(F)c(F)cc2[nH]1 587963474 XQPKYUCPTYCXSG-SSDOTTSWSA-N 268.263 2.885 0 1 CFAF CC(=O)[C@H]1CCCC[C@]12NCCc1ccc(O)cc12 963329595 PGILQFLMILZSAA-ZBFHGGJFSA-N 259.349 2.512 0 1 CFAF CCN1c2ncccc2NC(=O)c2c(C)ccnc21 5842431 YRRUDLPBDDJXGV-UHFFFAOYSA-N 254.293 2.509 0 1 CFAF CNC(=O)N(O)[C@H](C)c1cc2ccccc2s1 13762807 MOWYMDVLTLHNSE-MRVPVSSYSA-N 250.323 2.993 0 1 CFAF CCN(CC)C[C@@H]1C[N@]1Cc1ccc(Cl)cc1 1857622706 ZQOHVUHGVVZNOP-PBHICJAKSA-N 252.789 2.866 0 1 CFAF CCC[C@@H](C)CNC(=O)OCCCc1c[nH]cn1 13793899 LPIYSDRZAIUAIP-LLVKDONJSA-N 253.346 2.505 0 1 CFAF Clc1ccc(CN2CCN=C2c2cccnc2)cc1 103198218 WLLLFBDNGSCFEU-UHFFFAOYSA-N 271.751 2.997 0 1 CFAF CO[C@@H](C)CN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@@H]2C 100796780 OYOSCGNGSBDVQJ-DSIZOQBWSA-N 289.419 2.951 0 1 CFAF Cc1ccc2oc(=O)n(Cc3cccc(O)c3)c2c1 64540279 JJXKGUBHEQGADG-UHFFFAOYSA-N 255.273 2.657 0 1 CFAF COc1ccc2nc(N)c3ncn(CC(C)C)c3c2c1 28477822 WPBRUVYGPFQQBV-UHFFFAOYSA-N 270.336 2.831 0 1 CFAF COc1ccc2c(c1)O[C@H]1C[C@@]1(c1ccccc1OC)C2=O 3201191 NITQIVCVKLRJDP-WMZOPIPTSA-N 296.322 2.989 0 1 CFAF biogenic,in-vitro CSC[C@@H]1C[C@H]2c3cccc4[nH]nc(c34)C[C@@H]2N(C)C1 40499146 GRJIHXZSQOIHFF-GMXABZIVSA-N 287.432 2.886 0 1 CFAF COC(=O)/C=C\c1oc(CCCCC(=O)OC)c(C)c1C 238747563 AFLMTSRLMDIJJL-KTKRTIGZSA-N 294.347 2.968 0 1 CFAF O=C1Oc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]12 238736333 WNGYYRCTIGAIQX-UKRRQHHQSA-N 266.252 2.538 0 1 CFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C)O)N1 587824425 BQTHKEDCUSSORR-QHMRUWFYSA-N 288.160 2.544 0 1 CFAF CC[C@H]1OCCC[C@@H]1c1nc2ccc(C(=N)N)cc2[nH]1 586914059 UFGNDDSZISJNLL-GXFFZTMASA-N 272.352 2.520 0 1 CFAF O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)ccc1O 587946292 VPACEXLGKHBPSW-JTQLQIEISA-N 284.218 2.522 0 1 CFAF N[C@@H](c1ccsc1)c1nc2c(Cl)ccnc2[nH]1 587025633 PCDSLZXLDYYJET-QMMMGPOBSA-N 264.741 2.721 0 1 CFAF COc1cc2nc(COc3ccc(F)cc3)[nH]c2cn1 587169043 RCIKNSPBRKHEML-UHFFFAOYSA-N 273.267 2.685 0 1 CFAF COC(=O)c1cc2nc(-c3c(C)cccc3OC)[nH]c2cn1 587786188 IGHUYVPMPBCLNX-UHFFFAOYSA-N 297.314 2.729 0 1 CFAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccnc(Cl)c2[nH]1 587961160 DJSGKXGLMVYBIC-JGVFFNPUSA-N 263.728 2.769 0 1 CFAF O=C(O)/C=C/C=C\c1nc2nc(Cl)c(Cl)cc2[nH]1 587967261 GARQHJAKBNNRPE-HSFFGMMNSA-N 284.102 2.919 0 1 CFAF CS(=O)(=O)[C@H]1CCCc2c1nc1cccc3c1c2CC3 587217202 UORDTMYWNINUQG-AWEZNQCLSA-N 287.384 2.755 0 1 CFAF Cc1cccc([C@H]2SCC(=O)N2CCCN(C)C)c1 13650869 JQTGFYQIDVWXPH-OAHLLOKOSA-N 278.421 2.521 0 1 CFAF O=Cc1c(O)cc(O)c2c1O[C@@H](c1ccccc1)CC2=O 15217421 UDAHPMHAXHYMTM-CQSZACIVSA-N 284.267 2.617 0 1 CFAF Cc1ccccc1-c1cncc(C(=O)[C@@H]2CCN(C)C2=O)c1 205750846 KFGUZZDRAQLMHV-INIZCTEOSA-N 294.354 2.718 0 1 CFAF Cc1oc2ncnc(Nc3ccccc3)c2c1C(=O)O 1857772532 SVWFHFLHJYVQHC-UHFFFAOYSA-N 269.260 2.973 0 1 CFAF CCCN(C)C(=O)c1c(-c2ccccc2)noc1[C@@H](C)O 2356378651 RUDCBLLBSDELHT-LLVKDONJSA-N 288.347 2.877 0 1 CFAF O=C(Nc1ccccc1)N1CCCC2(CCNCC2)C1 3956221 KGKQACXGGYGPLB-UHFFFAOYSA-N 273.380 2.684 0 1 CFAF COc1cc(OC)c2c(c1)O[C@H](Cc1ccccc1)C2=O 53297106 TXCDOVJJHCJQOA-OAHLLOKOSA-N 284.311 2.890 0 1 CFAF CNc1ccc(N2CCNC[C@@H]2Cc2ccccc2)cc1 53295604 AMKBEJSLPSMHMK-SFHVURJKSA-N 281.403 2.749 0 1 CFAF CCC[C@@H](C)Sc1cccc(OS(C)(=O)=O)n1 103180810 RGJCDIDDYXZDFN-SECBINFHSA-N 275.395 2.701 0 1 CFAF Cc1cc2n(c1C(=O)c1ccccc1)CC[C@]2(C)C(=O)O 27977977 XRVLDSVAJCGTNG-KRWDZBQOSA-N 283.327 2.774 0 1 CFAF C[C@H](NCCc1ccccc1)[C@H](O)c1ccc(O)cc1 26725669 JYRIPZKRSXWKCW-GUYCJALGSA-N 271.360 2.646 0 1 CFAF CCCC[n+]1cccc2c1CC[C@H]1CC[C@H](O)C[C@@H]21 26261709 FVGWACKJRIODEP-IJEWVQPXSA-N 260.401 2.965 0 1 CFAF CC(=O)Oc1c(C(C)=O)ccc2c1C=CC(C)(C)O2 2356538842 SHZKOKMCMINUAK-UHFFFAOYSA-N 260.289 2.999 0 1 CFAF COC(=O)C/C=C1/c2ccccc2C[C@@H](OC)[C@@H]1C 66123721 MTUFSMLKZVHUGN-YFVDUCKESA-N 260.333 2.840 0 1 CFAF O=C(/C=C/c1ccc(O)cc1)N/C=C/c1ccc(O)cc1 45368466 KQOAXPONBXVESE-WKWSCTOISA-N 281.311 2.898 0 1 CFAF C[C@H]1CC(=O)NN=C1c1ccc(N(C)c2ccncc2)cc1 40503800 OEKLJQOELHPUMX-LBPRGKRZSA-N 294.358 2.710 0 1 CFAF O=c1cc(-c2ccc(O)cc2)[nH]c2cc3c(cc12)OCO3 96913330 OINLWSBLGMKUOA-UHFFFAOYSA-N 281.267 2.629 0 1 CFAF COc1cc(OC)c(/C=C/[C@]2(C)C=CC(=O)O2)c(OC)c1 96921242 LBCYSAYJDUYICJ-BIENSFFJSA-N 290.315 2.597 0 1 CFAF COc1ccc2nc(-c3cc(N)ccc3O)[nH]c2c1 299841461 ZXWGMPVIJVFDBI-UHFFFAOYSA-N 255.277 2.526 0 1 CFAF C[C@@H](Sc1ncccn1)c1nc2cnccc2[nH]1 586964016 VMRQQVNSBPJXSC-MRVPVSSYSA-N 257.322 2.601 0 1 CFAF COc1cncc(N)c1-c1nc2nc(C(C)(C)C)ccc2[nH]1 587254376 NXMDWKZJLYEDDY-UHFFFAOYSA-N 297.362 2.908 0 1 CFAF Oc1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 587119489 YDQQVXPVOQHLFR-UHFFFAOYSA-N 296.252 2.727 0 1 CFAF C[C@H](Oc1ccc(F)cc1)c1nc2ccc(C(N)=O)cc2[nH]1 587169039 RADCADLGNIWWTL-VIFPVBQESA-N 299.305 2.941 0 1 CFAF COc1ccccc1CC(=O)c1nc2ccccc2[nH]1 587932658 XOBXFVFPUXIPKG-UHFFFAOYSA-N 266.300 2.997 0 1 CFAF CCCc1c(O)ccc2c1O[C@](CC)(C(=O)OC)CC2=O 587476370 CDGXNUISTYQMPT-INIZCTEOSA-N 292.331 2.632 0 1 CFAF CCOc1cc(-c2cccc(F)c2)nn1Cc1ccnnc1 587871331 FROUUWYZQHNIQW-UHFFFAOYSA-N 298.321 2.926 0 1 CFAF COC(=O)[C@@H]1C[C@@]2(C=C1C)NCCc1c2sc(C)c1C 963022684 KHRUITBJIZLVNN-CZUORRHYSA-N 291.416 2.845 0 1 CFAF C[C@H](N=O)[C@]1(c2ccccc2)NCCc2ccc(O)cc21 963352625 MQDWWYYGDUUDDM-YVEFUNNKSA-N 282.343 2.936 0 1 CFAF COC(=O)[C@@H]1[C@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C 13586319 MMKZDDDDODERSJ-CAOSSQGBSA-N 273.376 2.734 0 1 CFAF O=C(Nc1nc2ncccn2c1-c1ccc(F)cc1)C1CC1 203465925 HGHZMCOWLFQEEG-UHFFFAOYSA-N 296.305 2.884 0 3 CFAF CC(C)Nc1c(C(N)=O)cnn2cc(-c3ccccc3)cc12 1857592530 YAFZKNDUZDZTNO-UHFFFAOYSA-N 294.358 2.921 0 1 CFAF CCC=CCC=CCC=CCCC(=O)OC[C@H](O)CO 2356339920 BPWSSFJBHWBWTC-OAHLLOKOSA-N 282.380 2.522 0 1 CFAF Cc1c(Cl)cccc1-n1c(N)nc2ccc(O)nc21 118268560 PZXSTULCRPCDGO-UHFFFAOYSA-N 274.711 2.670 0 1 CFAF OCC[C@@]12N[C@](Cl)(Cc3ccccc31)c1ccccc12 100649337 ZWRILTPIEXZOMR-IAGOWNOFSA-N 285.774 2.864 0 1 CFAF Nc1ccc(-c2ccncc2)cc1NC(=O)c1cccnc1 29127378 JBSPVOIWGGVXGK-UHFFFAOYSA-N 290.326 2.978 0 1 CFAF O=C1NC[C@@H](c2ccc(F)cc2)N1c1ccc2[nH]cnc2c1 116193803 FJLDBYYALYEKIE-HNNXBMFYSA-N 296.305 2.973 0 1 CFAF CC[C@@H]1CN2CC[C@@]34C(=Nc5ccccc53)[C@H]2C[C@H]1[C@@H]4CO 2356568874 PYMHIOSGBXFQPS-POORPVJTSA-N 296.414 2.753 0 1 CFAF CC1=CC[C@H](O)[C@H](C)C[C@@H]2OC(=O)[C@@H](C)[C@H]2CC1 2356656584 LAOQYXNUSDEVJK-BJJPWKGXSA-N 252.354 2.681 0 1 CFAF CC(=O)[C@H](O)C[C@H]1OCc2c(O)ccc(CC=C(C)C)c21 2356680947 ZHPRFHOTZYMSBB-HZPDHXFCSA-N 290.359 2.812 0 1 CFAF CC1(C)[C@H]2c3ccccc3[C@H](c3cccc[n+]32)C12OCCO2 27520537 BVGZKTHMZYKPPK-IAGOWNOFSA-N 294.374 2.792 0 1 CFAF C[C@H](Oc1ccc(Cl)cc1)C(=O)OC1CCN(C)CC1 29412862 YVNYWNISSSGWDD-NSHDSACASA-N 297.782 2.745 0 1 CFAF Cc1ccc(CNc2cc(-c3n[nH]c(N)n3)ccn2)cc1C 29396705 ABIINJZEHXMFKE-UHFFFAOYSA-N 294.362 2.678 0 1 CFAF CC1(C)CCC[C@]2(C)C3=C(CC[C@@H]12)C(=O)O[C@H]3O 34582889 XTQKCVAXPOCYKT-ZBINZKHDSA-N 250.338 2.785 0 1 CFAF C[C@@H]1CC(=O)C[C@]23CCN(C)[C@H](Cc4ccc(O)cc42)[C@@H]13 40374166 QTMXUFYDRJEECW-INXYXQHBSA-N 285.387 2.505 0 1 CFAF COc1ccc(F)cc1CCC[C@@H]1CC[C@@H](CN)O1 40863026 BWBCTVUBHWYIEP-KGLIPLIRSA-N 267.344 2.663 0 1 CFAF O[C@@H](CSc1ccncc1)C[C@@H](O)c1ccccc1 95784940 KGDZVDIVSRDKMM-UKRRQHHQSA-N 275.373 2.658 0 1 CFAF C[S@@](=O)c1nc2ccc(Cl)cc2nc1Cl 299856201 IPFYIXLGLKXTTQ-OAHLLOKOSA-N 261.133 2.674 0 1 CFAF C[C@H]1C[C@@H]2OC(=O)[C@@H](C)[C@H]2CC=C1CC[C@@H](C)O 473099648 GVKRUTFARUBHKM-CDCRFNPESA-N 252.354 2.681 0 1 CFAF COc1cccc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c12 587249623 PPKCOMSJTCQRLN-UHFFFAOYSA-N 283.287 2.519 0 1 CFAF O=C(Cc1ccc(Cl)cc1)c1nc2c(O)nccc2[nH]1 587069232 DIMPUGMQRWOBBT-UHFFFAOYSA-N 287.706 2.742 0 1 CFAF CN(C)C(=O)c1ccc2nc(C3=CCCC3)[nH]c2c1 586884075 NQAHJYWQPDOICB-UHFFFAOYSA-N 255.321 2.832 0 1 CFAF COc1cccc([C@H](C)Cc2nc3cc(=N)[nH]cc3[nH]2)c1 587929543 BPVBDLATTPOLQY-SNVBAGLBSA-N 282.347 2.725 0 1 CFAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ncc[nH]c-2n1 587930081 CLVVXHXXGSBTAJ-BZNIZROVSA-N 280.331 2.758 0 1 CFAF CSc1ccccc1-c1ccc2c(O)nc(O)nc2n1 587563753 WUAQNDYYICPCCQ-UHFFFAOYSA-N 285.328 2.825 0 1 CFAF COc1ccc2nc(CCc3scnc3C)[nH]c2n1 587027766 JPIWLPCMKCGHIT-UHFFFAOYSA-N 274.349 2.517 0 1 CFAF Fc1cc(F)c2[nH]c(COC(F)(F)F)nc2c1 587125270 RFDJLRNRSSTQPP-UHFFFAOYSA-N 252.142 2.878 0 1 CFAF Cc1ccnc2c1CCN[C@]21CCc2ccccc21 963094746 ZMFLUGRROLESON-KRWDZBQOSA-N 250.345 2.726 0 1 CFAF COc1cccc(/C=C/c2ccc(S(N)(=O)=O)cc2)c1 3023 VVJJGULCSHBLBE-AATRIKPKSA-N 289.356 2.513 0 1 CFAF Cc1nn(-c2cncc(C(C)(C)O)c2)c2ccccc12 1857628423 BGBQXEJJHWCXMW-UHFFFAOYSA-N 267.332 2.956 0 1 CFAF CCc1cc(NCc2ccccc2OC)c(=O)[nH]c1C 5887292 YCIFAXZSRRKLLB-UHFFFAOYSA-N 272.348 2.866 0 1 CFAF CCc1nnc2n1-c1cccnc1N(CC)c1ncccc1-2 5847876 BFEYUIJMYIIFFO-UHFFFAOYSA-N 292.346 2.758 0 1 CFAF COC(=O)/C=C(\C)CC/C=C(\C)CC[C@@H](O)C(C)(C)O 1651247 MBJDYYPZJXVUHJ-HONBPKQLSA-N 284.396 2.744 0 1 CFAF biogenic,in-vitro O=C(O)c1cc(-c2ccc(Cl)c(F)c2)ncn1 206197187 LNZXPHYFMZYUJV-UHFFFAOYSA-N 252.632 2.634 0 1 CFAF CO[C@@H]1C=C(O)[C@H]2[C@H]3C[C@H]4CCC[C@@]3(C)[C@@]4(C)[C@@]12O 2356362777 HLBDFWVKKWDTCV-ROXILAINSA-N 264.365 2.650 0 1 CFAF CS[C@]1(C)C[C@@H]2[C@H](C[C@@H]1N1CCOCC1)C2(C)C 105509805 LZTQTTOSHLGSSO-SFDCQRBFSA-N 269.454 2.875 0 1 CFAF Cc1cc2c(c3c1[nH]c1ccccc13)C(=O)NC2=O 28568655 IMEDEXINTFAKNV-UHFFFAOYSA-N 250.257 2.513 0 1 CFAF in-vivo CC(C)Oc1oc(=O)c2cc(N)ccc2c1Cl 27629160 MTEUWDNTISDLHG-UHFFFAOYSA-N 253.685 2.816 0 1 CFAF COc1ccc(-n2cc(-c3ccc(N)cc3)nn2)cc1OC 28567801 BEBBNHFKUFZFDJ-UHFFFAOYSA-N 296.330 2.534 0 1 CFAF COc1ccccc1C(=O)Nc1cccc2c1CCN(C)C2 26743348 YUQSGKNITWUTEC-UHFFFAOYSA-N 296.370 2.935 0 1 CFAF CC(=CC(=O)O)CC[C@]1(C)C(C)=C(CO)[C@H](C)[C@@]1(C)O 2356736120 UFVJSNUROFSAJQ-APHBMKBZSA-N 282.380 2.513 0 1 CFAF CCN1CCN(Cc2coc(-c3ccccc3C)n2)CC1 72182645 AVZQIEYALITIOB-UHFFFAOYSA-N 285.391 2.788 0 1 CFAF CC(C)n1nc(CCc2ccccc2)c2c(N)ncnc21 84687774 WIKGSDWXSVDNEH-UHFFFAOYSA-N 281.363 2.775 0 1 CFAF NCc1cccc2c1-c1ccccc1[C@]2(O)C(F)(F)F 143495206 XKRISICVZWITBV-CQSZACIVSA-N 279.261 2.924 0 1 CFAF CN(C)S(=O)(=O)[C@H](c1ccccc1)C1CCCC1 230515159 PXODWXBNYSMITJ-CQSZACIVSA-N 267.394 2.809 0 3 CFAF CN1[C@H](c2ccccc2)CC(=O)[C@H](N)[C@H]1c1ccccc1 254076043 HPNXAOJGCPUSLE-RYQLBKOJSA-N 280.371 2.701 0 1 CFAF Cc1cnc2[nH]c([C@@H](N)c3ccc(F)cc3F)nc2c1 587148923 BRLFPAKYTVACDW-LBPRGKRZSA-N 274.274 2.593 0 1 CFAF CC(C)(Cl)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587007518 DZKDBBLWJJEDOS-SECBINFHSA-N 252.705 2.761 0 1 CFAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C)N(C)C1 587479693 UQOKNLGGWUIUTA-APPDUMDISA-N 289.375 2.773 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3ccc(N)cc31)O2 587388902 HSPXWHSSMIJTFT-GOSISDBHSA-N 294.354 2.966 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](c1ncc[nH]1)CC2=O 587484376 ODYBLMXPJRTZQV-CYBMUJFWSA-N 272.304 2.774 0 1 CFAF c1ccc([C@H]2COCCN2c2ccnc3[nH]ncc23)cc1 1772648807 SHOIDMMLBCSHEP-OAHLLOKOSA-N 280.331 2.536 0 1 CFAF CCN1CCC[C@H]1CN1Cc2ccc(Cl)cc2C1=O 12355967 SHAZWFJAAHPGKJ-ZDUSSCGKSA-N 278.783 2.780 0 1 CFAF CCCc1nc2cccnc2n(Cc2ccccc2)c1=O 13781372 OCJNBCLQJCRZDP-UHFFFAOYSA-N 279.343 2.792 0 1 CFAF O=C(Nc1ccc(F)cc1)Nc1nnc(S)s1 13796903 RVFUBAXCKZOYOU-UHFFFAOYSA-N 270.314 2.610 0 1 CFAF CCCNC(=O)Cc1c(C(=O)O)[nH]c2cc(Cl)ccc12 13821274 CCUPGLWFEKKVRG-UHFFFAOYSA-N 294.738 2.588 0 1 CFAF COc1cc(CCc2ccc(O)cc2)cc(O)c1OC 14505369 ITWQAPOXXSJIAS-UHFFFAOYSA-N 274.316 2.900 0 1 CFAF CC(C)(O)c1ccc(-c2nc(=O)c3ccccc3[nH]2)cc1 1857573670 FVSMOECHMBICED-UHFFFAOYSA-N 280.327 2.818 0 1 CFAF N=c1[nH][nH]c2ccc(NC(=O)c3ccccc3Cl)cc12 1857612705 XVIOSMUOJJRPNE-UHFFFAOYSA-N 286.722 2.881 0 1 CFAF CCc1noc2cc(N=c3[nH][nH]c4cccnc34)ccc12 1857617397 PPHTWUAKTMFTTE-UHFFFAOYSA-N 279.303 2.827 0 1 CFAF CSCCC[C@@H](Cc1cccc(C(=O)O)c1)C(=O)O 13686629 AIYUYGAIQKHWOE-LBPRGKRZSA-N 282.361 2.771 0 1 CFAF CSc1nc(-c2ccc(Cl)cc2)nn1C(=O)N(C)C 115374 BCRUIWHBJPICOM-UHFFFAOYSA-N 296.783 2.850 0 1 CFAF Cc1cc(C)n(C(=O)c2ccc(C)c(F)c2F)n1 1121667 HYAZSAZYZZVYRE-UHFFFAOYSA-N 250.248 2.775 0 3 CFAF CCCCc1nc(N)nc(C(Cl)(Cl)Cl)n1 2011216 IUKODSJEKDKXCE-UHFFFAOYSA-N 269.563 2.623 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C[C@H]2CC[C@@H]1N2C 2579354 QUSLQENMLDRCTO-APIJFGDWSA-N 277.339 2.565 0 1 CFAF O=C(NN1CC=CCC1)c1cc(Cl)cc(Cl)c1 27753818 JORFZGADLNPCEN-UHFFFAOYSA-N 271.147 2.900 0 1 CFAF C[C@@H](C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C)c1ccc(N)cc1 101760721 VGTWZPYFVWEXBL-UGFHNGPFSA-N 288.391 2.541 0 1 CFAF CCNC(=S)N1N=C(c2ccco2)C[C@@H]1c1ccco1 28707057 JKAQLSFYOAXBDX-LLVKDONJSA-N 289.360 2.918 0 1 CFAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1cccs1 100854093 ZLWKHMNSEAGVBX-MWKIBJQYSA-N 289.400 2.787 0 1 CFAF CCc1nn2c(=O)c3c4c(sc3nc2s1)CCCC4 28814854 CLMAKZHRDXVNDW-UHFFFAOYSA-N 291.401 2.807 0 1 CFAF CC(C)[C@@H](O)[C@@H](O)Oc1c2c(cc3ccoc13)C=CCO2 2356565492 YHXKSZIXAVCDGH-WBMJQRKESA-N 290.315 2.553 0 1 CFAF CC[C@@H]1CN2CC[C@@]34C(=Nc5ccccc53)[C@@H](CO)[C@H]1C[C@H]24 34579316 XJEKUKWZYMNSDW-XTXPVBGVSA-N 296.414 2.753 0 1 CFAF in-vitro O=C(CSc1cnnn1-c1ccccc1)c1ccco1 49793888 PPBBJDKWKIGOPJ-UHFFFAOYSA-N 285.328 2.835 0 1 CFAF CC(=O)c1cccc(Nc2nc(C)nc(Cl)c2N)c1 45284927 YQHZUICJYSVFCH-UHFFFAOYSA-N 276.727 2.967 0 1 CFAF Cc1c(O)ccc2c1CCc1cc(O)cc(C=O)c1-2 222158416 AYUUQQZINLJTMA-UHFFFAOYSA-N 254.285 2.984 0 1 CFAF CN1CC[C@@]2(Cc3ccccc3)c3cc(O)ccc3O[C@H]2C1 96927284 GVSBGUZFIJPVRO-RBUKOAKNSA-N 295.382 2.969 0 1 CFAF CC(C)[C@H](O)[C@@H](O)Oc1c2c(cc3ccoc13)C=CCO2 238757895 YHXKSZIXAVCDGH-LRDDRELGSA-N 290.315 2.553 0 1 CFAF C[C@@H]1CNCC(=O)N(c2ccc(Cl)c(Cl)c2)C1 299827491 KCRXGCWNPGNVMG-MRVPVSSYSA-N 273.163 2.566 0 1 CFAF COc1cc2c3c(c1)O[C@H]([C@@H]1CCC(C)(C)O1)[C@@H](C2)C3=O 587456219 TWBUMDKNAVPNPU-MKBNYLNASA-N 288.343 2.769 0 1 CFAF CSCC(C)(C)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 586969203 OLHNHROZKLHJCS-UHFFFAOYSA-N 291.420 2.905 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)cnc1N)O2 587388425 BTGMHDRMYOYHRW-CQSZACIVSA-N 283.331 2.569 0 1 CFAF C[C@H]1CC(C)(C)Cc2cc3c(O)nc(O)nc3nc21 587561556 JNMJPCDVGOWDRZ-ZETCQYMHSA-N 259.309 2.512 0 1 CFAF C[C@H](F)[C@@H](N)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587124722 OWBBUUSDEFBPFY-SSDLBLMSSA-N 277.221 2.819 0 1 CFAF COC[C@@H](C)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400367 NFOOZEUKPVNVIB-BMIGLBTASA-N 263.337 2.584 0 1 CFAF Cc1c(F)ccc2nc(-c3c(N)cccc3C(=O)O)[nH]c12 587248306 MFPNVFPGNNIBDQ-UHFFFAOYSA-N 285.278 2.958 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1cnc(C)nc1C)[C@@H](C2)C3=O 587435027 AWAQQGGAZXPZEW-SJCJKPOMSA-N 296.326 2.591 0 1 CFAF Nc1cncc(-c2nc3ccc4ncccc4c3[nH]2)c1 587254933 YYYVEGCOZZWAFV-UHFFFAOYSA-N 261.288 2.755 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(CCc4cnccc41)[C@@H](C2)C3=O 587434914 AIWJPNUKJSMTKG-KBXCAEBGSA-N 293.322 2.679 0 1 CFAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](N)C1)CC2=O 587472981 PKKVFOGTPAWEOW-GTNSWQLSSA-N 289.375 2.950 0 1 CFAF O=C(O)C(=O)CC(=O)c1ccc(Oc2ccccc2)cc1 13475020 NHQPPCOWPBXWBJ-UHFFFAOYSA-N 284.267 2.705 0 1 CFAF CC[C@@H](N)Cc1cc(OC)c(SC)cc1OC 13641763 QHDXWWJHBCJTDG-SNVBAGLBSA-N 255.383 2.706 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)C[C@H]2CC[C@H]1N2C 100645015 MMKZDDDDODERSJ-KLHDSHLOSA-N 273.376 2.734 0 3 CFAF in-vivo Cn1nc(-c2ccc3ccccc3c2)c2c(N)ncnc21 20149030 UOKGZPYGRJDACN-UHFFFAOYSA-N 275.315 2.766 0 1 CFAF in-vivo CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@@H](O)c1ccccc1 28468335 HVPURABCNDWHRE-NXHRZFHOSA-N 281.355 2.735 0 1 CFAF CCOC(=O)C1=C(C)N=C(C)/C(=C(\O)OCC)[C@H]1C 103351467 RDYDBCPYYQVGCV-DJTJNUHNSA-N 267.325 2.740 0 1 CFAF COc1cc(O)c2c(O)c(C(C)=O)c(CC(C)=O)cc2c1 58632501 BONGITCDOWZART-UHFFFAOYSA-N 288.299 2.594 0 1 CFAF in-vitro CCOC(=O)N1CCC[C@](Cl)(c2ccccc2)C1=O 26182357 DXTKLIONPMWGMJ-AWEZNQCLSA-N 281.739 2.900 0 1 CFAF Cc1n[nH]c(N)c1-c1nc2c(F)c(F)c(F)cc2s1 114400092 YBGBUAAMXHCKKT-UHFFFAOYSA-N 284.266 2.994 0 1 CFAF CC(C)c1ccc(CNC(=O)[C@]2(C)CCCN2C)cc1 61904303 ROFKWRLDSTUVGF-KRWDZBQOSA-N 274.408 2.911 0 3 CFAF Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCNC2 29571572 LMSVMYYPOYHGMJ-UHFFFAOYSA-N 292.791 2.860 0 1 CFAF Cc1ccc(CN2CCC[C@@]2(C)C(=O)NC(C)C)cc1 61902798 CQNHQWFWFOREAH-KRWDZBQOSA-N 274.408 2.874 0 3 CFAF CN1C(=N)N[C@](c2ccccc2)(c2cccc(Cl)c2)C1=O 45290655 QWEOCJPATDOXQJ-MRXNPFEDSA-N 299.761 2.580 0 1 CFAF CC(C)n1nc(CC(=O)O)nc1-c1ccc(Cl)cc1 96094971 AINWLLILXDVSIT-UHFFFAOYSA-N 279.727 2.807 0 1 CFAF in-vitro O[C@H]1CC[C@H](Nc2nc3ccccc3n3ccnc23)CC1 299845309 ZEIJYVUCKPFEQO-HAQNSBGRSA-N 282.347 2.598 0 1 CFAF Cc1cc(=O)c2c(CC(=O)OCC(C)C)cc(O)cc2o1 299851804 KBBZDBRZSVONMK-UHFFFAOYSA-N 290.315 2.549 0 1 CFAF CC(C)NC(=O)c1c[nH]c2ncc(Oc3ccccc3)nc12 96269467 GFOUEDIPVAYXKK-UHFFFAOYSA-N 296.330 2.888 0 1 CFAF C[C@@H](F)[C@@H](N)c1nc2cccc(Br)c2[nH]1 587126287 WMIQEAHXUPBEJW-SVGQVSJJSA-N 272.121 2.683 0 1 CFAF Cc1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2n1 586924720 UKUVNOZNSKRYRX-MDZDMXLPSA-N 299.355 2.711 0 1 CFAF COc1cccc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c12 587962677 VQYCWBYVTJKLMK-UHFFFAOYSA-N 296.326 2.789 0 1 CFAF N[C@@H]1CC[C@H](c2nc3c(F)c(F)c(F)c(F)c3[nH]2)C1 587246434 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CFAF O=Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990385 CQMKLKPOKCLLGF-UHFFFAOYSA-N 275.263 2.964 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc(C)n1)O2 587394253 RTGCXDYXVSOLJX-CYBMUJFWSA-N 258.277 2.580 0 1 CFAF CC(C)[C@@H](c1nc2cc3cn[nH]c3cc2[nH]1)N(C)C 587198806 PWBZPIVGMOOYCC-ZDUSSCGKSA-N 257.341 2.698 0 1 CFAF COc1ccc2nc(CC[C@@H](C)CC(=O)O)[nH]c2c1 587963433 WGCVEYOOHNAKKR-SECBINFHSA-N 262.309 2.615 0 1 CFAF CC[C@H]1CCC(=O)[C@]12NCCc1ccc(F)c(C)c12 962296193 FLABUZXZSATAPF-BLLLJJGKSA-N 261.340 2.864 0 1 CFAF Cc1ccnc2c1CCN[C@]2(C)c1coc(C(C)C)n1 963071377 RJPWNDYLFNWOKF-MRXNPFEDSA-N 271.364 2.911 0 1 CFAF COc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(C)CC3=O 5766100 CKRFWODWKVGWNR-YXJHDRRASA-N 285.387 2.562 0 1 CFAF CCOP(=O)(OCC)[C@]12C[C@@H](C)C=C[C@H]1COC2=O 5925139 YRFYAMXIDJQUQT-GMXVVIOVSA-N 288.280 2.760 0 1 CFAF NCc1nc2cc(NC[C@H]3CC=CCC3)ccc2[nH]1 13445539 YVZXWFDVDWLMEK-NSHDSACASA-N 256.353 2.790 0 1 CFAF CC(=O)CC[C@@H](OC=O)[C@]1(C)CCCC(C)(C)C1=O 14494222 OSVHEUJSRDQUMA-DOMZBBRYSA-N 268.353 2.683 0 1 CFAF COc1cc2c(cc1O)-c1c(cc(O)cc1OC)CC2 14650928 RQIIPCKHAHBFOT-UHFFFAOYSA-N 272.300 2.881 0 1 CFAF CC[C@H](C)CNC(=O)c1cn([C@@H](C)c2ccccc2)nn1 203475678 QDCUPKYRXRJDST-STQMWFEESA-N 286.379 2.663 0 3 CFAF Cc1n[nH]c(-c2ccnc(Cc3ccccc3)c2)n1 29393398 XUJSPFWPANZSQV-UHFFFAOYSA-N 250.305 2.766 0 1 CFAF O=C(Nc1ccc(Cl)cc1)O[C@H]1CN2CCC1CC2 129805 KHINMWCEXQIYHR-ZDUSSCGKSA-N 280.755 2.983 0 3 CFAF CO[C@H]1c2cc(Cl)ccc2OC[C@H]1n1ccnc1 27327134 WAODWMRDSOILLQ-YPMHNXCESA-N 264.712 2.858 0 1 CFAF O=C1c2ccccc2N=C2N(c3ccccc3)CC[C@@]12O 24970238 DOMYOVZXZIZTRD-QGZVFWFLSA-N 278.311 2.554 0 1 CFAF in-vivo C[C@H]1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@]2(CCN3C)CC1=O 100783345 GJEVWFOGJRBNKF-QXHJTNOSSA-N 285.387 2.505 0 1 CFAF O=C(O)C(=O)CC(=O)c1ccccc1Cc1ccccc1 27554791 QXHQPCZMZDXAOG-UHFFFAOYSA-N 282.295 2.504 0 1 CFAF CCOC(=O)COc1ccc(C(=O)CC)c(C)c1C 66075619 IPADBFSPQLEFPW-UHFFFAOYSA-N 264.321 2.838 0 1 CFAF Cc1coc2c1[C@@H]1OC(=O)[C@@H]3CCC[C@H](C2=O)[C@]31C 2356498653 DKIQWJSYQVPEGA-PXRKONNCSA-N 260.289 2.805 0 1 CFAF CCO[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)C2=C1C(=O)O[C@@H]2O 2356861661 ULNDEDWNCOHSHX-PWONTQHFSA-N 294.391 2.800 0 1 CFAF CC(C)Cc1ccc([C@@H](C)c2nnc(S)n2N)cc1 35326605 FXMQOYQNQRVKKF-SNVBAGLBSA-N 276.409 2.631 0 1 CFAF Cc1noc(C)c1-c1ccc2c(c1)[C@](O)(C(C)C)C(=O)N2 219548571 SHVXKBUJOYKZGR-MRXNPFEDSA-N 286.331 2.754 0 1 CFAF C[C@@H](CC1CCCCC1)OC(=O)N(C)[C@H]1CCN(C#N)C1 45210288 VZMKOQAIIDFFER-ZFWWWQNUSA-N 293.411 2.969 0 1 CFAF COC[C@@H](C)Nc1cc(-c2cccc(C(C)=O)c2)ncn1 82162459 VLUJGKLJMBJGJE-LLVKDONJSA-N 285.347 2.793 0 1 CFAF Nc1cc(Cl)c(Cl)cc1C1=NN(C(=O)C2CC2)CC1 96907966 HYRBDQKGNSRNJP-UHFFFAOYSA-N 298.173 2.922 0 1 CFAF NC[C@@H]1C[C@@H]1c1c(OCCF)ccc(F)c1Cl 653710273 LIVNCHBFKKLLCJ-YUMQZZPRSA-N 261.699 2.890 0 1 CFAF O=C(Nc1ccccc1)c1cc2cc(CO)ccc2oc1=O 653784973 KTLGWPJEWQAPEJ-UHFFFAOYSA-N 295.294 2.538 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H](C)C1=O)O2 587404733 HCUPFZAANWGPPN-QFYYESIMSA-N 273.332 2.670 0 1 CFAF Cc1[nH]c2cc(Cl)c(F)cc2c1Cn1cncn1 587631742 LFTBNLXYOVVDIA-UHFFFAOYSA-N 264.691 2.909 0 1 CFAF CC(C)[C@@](C)(O)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586889317 MJFBHBLUOPTSHO-OAHLLOKOSA-N 288.326 2.751 0 1 CFAF COc1c(F)ccc(-c2nc3cc(C)cnc3[nH]2)c1N 587133568 TWJDOZIHUKVONZ-UHFFFAOYSA-N 272.283 2.663 0 1 CFAF Cc1cncc2nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c12 587158575 XSDUHXUQZYXFNW-BDJLRTHQSA-N 282.322 2.747 0 1 CFAF Cc1ccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c(F)c1 587146226 FEBJGSGIIDGJOO-UHFFFAOYSA-N 268.295 2.961 0 1 CFAF OCc1ccc2nc(-c3occ4c3CCC4)[nH]c2c1 586905156 HYVYAWBOPSQPRK-UHFFFAOYSA-N 254.289 2.804 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(CCC[C@H](OC)C1)[C@@H](C2)C3=O 587444635 WQAXQGFYGPFECH-PLQHRBFRSA-N 288.343 2.770 0 1 CFAF c1ccc2c(c1)CC[C@]21C[C@H]1c1nc2cnncc2[nH]1 586892995 YTWTZGQPTANBRE-LRDDRELGSA-N 262.316 2.724 0 1 CFAF Nc1cc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2cc1N 587175518 ZJORXYMUIBBNRV-CQSZACIVSA-N 284.294 2.543 0 1 CFAF COc1cccc(C(=O)Sc2cccnc2C(=O)O)c1 169323685 YPBPFIZQWDAWAZ-UHFFFAOYSA-N 289.312 2.721 0 1 CFAF CC(C)c1nn(C)c2c1[C@H]([C@@H](C)C(F)(F)F)NCC2 962914198 DENZDKBYUQCDFI-PELKAZGASA-N 275.318 2.929 0 1 CFAF COC(=O)c1cc(O)c2[nH]c3cc(O)ccc3c2c1 13482935 XCUPFKMNZJDKBY-UHFFFAOYSA-N 257.245 2.519 0 1 CFAF CCCCCNC1=NCCN1OCc1ccc(F)cc1 13539089 QRVGHYNQYINQQM-UHFFFAOYSA-N 279.359 2.709 0 1 CFAF COc1ccc(C[C@H]2Oc3cc(OC)ccc3[C@H]2O)cc1 14613180 QLTLOJMHZAHCAW-IAGOWNOFSA-N 286.327 2.741 0 1 CFAF COc1cc2c(c(O)c1OC)-c1ccc(O)cc1CC2 14650887 AUIUZJOPXKYLOS-UHFFFAOYSA-N 272.300 2.881 0 1 CFAF biogenic c1ccc2c(c1)COc1ccccc1N2C1CNC1 169333214 ZXAXYLFFMITNKG-UHFFFAOYSA-N 252.317 2.689 0 1 CFAF CCc1ccc([C@@H]2C[C@H]3CC[C@@H](N3)[C@@H]2C(=O)OC)cc1 169372573 VQVUZWDWIQWSQU-QKPAOTATSA-N 273.376 2.646 0 1 CFAF O=C(c1ccc(-c2ccc(Cl)cc2)o1)n1cncn1 200030832 FOEODFZFFKMYDG-UHFFFAOYSA-N 273.679 2.880 0 1 CFAF Cc1cc2c3c(N)nc(N)nc3ccc2n1C(C)C 5892288 WTYUZEFAFVALJC-UHFFFAOYSA-N 255.325 2.638 0 1 CFAF COc1ccc([C@H]2CC(=O)Oc3c(O)cc(O)cc32)cc1 1911580009 WPDXGRAJEYQZGH-GFCCVEGCSA-N 286.283 2.547 0 1 CFAF CCOC(=O)c1c[nH]c2ccc3c(c(C)c(C)n3C)c2c1=O 9968671 UTHZUFYALDQMJA-UHFFFAOYSA-N 298.342 2.813 0 1 CFAF O=C1OC[C@@H]2[C@@H]1[C@@H]1c3ccccc3[C@H](O)c3ccccc3[C@@H]21 105479970 KAFDISJYHBMFEQ-QXDIGNSFSA-N 292.334 2.752 0 1 CFAF COC(=O)c1nccc2c1[nH]c1ccc(OC)cc12 28948075 XWJJYUDWDGAUPR-UHFFFAOYSA-N 256.261 2.511 0 1 CFAF CNC(=O)Oc1ccc2c(c1)SC[C@@H]1CCN(C)[C@H]21 64479783 PFKPSOFWIQHOEE-ZANVPECISA-N 278.377 2.503 0 1 CFAF CC(C)[C@@H]1CC=C(C(=O)O)[C@H]2CCC(CO)=C[C@H]21 2356754354 YHQBOWLIXXWZPY-SCRDCRAPSA-N 250.338 2.618 0 1 CFAF CC(C)NC(=O)/C=C/C=C/c1ccc2c(c1)OCO2 40939107 GHEXBVZHOBIWNE-GGWOSOGESA-N 259.305 2.509 0 1 CFAF COC(=O)C1=C(c2nc3ccccc3o2)C[C@@H]2CC[C@H]1O2 84604082 JHGBEMIRZAHFKB-TVQRCGJNSA-N 285.299 2.706 0 1 CFAF COc1cccc2ncc3c(=O)n(-c4ccccc4)[nH]c3c12 136481682 WAZYXENLQUTZEE-UHFFFAOYSA-N 291.310 2.876 0 1 CFAF CN1CCO[C@@](O)(c2ccc(-c3cccs3)cc2)C1 40379301 KXFMAIULBLABNA-OAHLLOKOSA-N 275.373 2.522 0 1 CFAF in-vivo C[C@@H]1C[C@H](O)/C=C(\C(=O)O)CC[C@@H]2[C@H]1CC2(C)C 238785117 RZADSQOICCRUDN-VJGHTMPDSA-N 252.354 2.841 0 1 CFAF O=C(Nc1cc2ccccc2oc1=O)c1ccco1 261187228 XUWWXDIKQJEACU-UHFFFAOYSA-N 255.229 2.638 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1ccns1)[C@@H](C2)C3=O 587450051 DCLLHAGILVTORN-ZUZCIYMTSA-N 287.340 2.815 0 1 CFAF N=c1ccc2ccc(CNCCCc3cccnc3)cc2[nH]1 584905751 SYLCHGGIDVOGEK-UHFFFAOYSA-N 292.386 2.765 0 1 CFAF in-vitro Brc1ccc2nc(CC3CC3)[nH]c2n1 587959364 MIVGCLACWLPYOV-UHFFFAOYSA-N 252.115 2.673 0 1 CFAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cnccc2[nH]1 587174381 IWJWBLREDDOFRB-LBPRGKRZSA-N 295.321 2.821 0 1 CFAF Cc1cccc(C)c1OCc1ccc2c(O)nc(O)nc2n1 587556427 VRNWGPUSOYYUKV-UHFFFAOYSA-N 297.314 2.632 0 1 CFAF OCCc1ccc2nc(-c3occ4c3CCC4)[nH]c2c1 586904976 FMXIGIPJJKVQIB-UHFFFAOYSA-N 268.316 2.846 0 1 CFAF Nc1cncc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 587254383 OIFZNCAVFOFDKM-UHFFFAOYSA-N 280.118 2.909 0 1 CFAF COc1ccc(C=O)cc1-c1nc2ccc(C)nc2[nH]1 587786411 GPKUSQPTXKOSEB-UHFFFAOYSA-N 267.288 2.754 0 1 CFAF NC(=O)Nc1cccc(-c2nc3cc(Cl)cnc3[nH]2)c1 587241800 IKGDFVYLURFKPO-UHFFFAOYSA-N 287.710 2.769 0 1 CFAF CCn1nc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C 587429828 BDDSTDQJLIQVMB-PXAZEXFGSA-N 298.342 2.709 0 1 CFAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cncnc3[nH]2)c1F 587152832 SFIYVZODARALFY-IUCAKERBSA-N 272.258 2.902 0 1 CFAF Clc1ccc2c(c1)C[C@H](c1nc3cnncc3[nH]1)O2 587081692 YQWRCERAFPHAGO-GFCCVEGCSA-N 272.695 2.683 0 1 CFAF Cc1ccc(CCc2nc3ccc(C(=O)O)cc3[nH]2)cc1N 587250644 OMUUMQFIRIKGMZ-UHFFFAOYSA-N 295.342 2.937 0 1 CFAF O=C1CC(=O)c2cc(OCc3ccccc3)ccc2O1 957820241 PKWCREDWVDDWOI-UHFFFAOYSA-N 268.268 2.757 0 1 CFAF Nc1c(-c2ccccc2)c(O)cn1NC(=O)c1cccs1 958026603 XENHESSXQXPTMO-UHFFFAOYSA-N 299.355 2.888 0 1 CFAF O=S1(=O)N[C@@H](CC2=CCCCC2)[C@@H]2CCCC[C@H]2O1 12472953 ZOYSOWHUNKOULN-MELADBBJSA-N 285.409 2.669 0 3 CFAF COc1ccccc1-n1[nH]c2c(cnc3ccccc32)c1=O 13827858 ILHOFMFHDRDKBN-UHFFFAOYSA-N 291.310 2.876 0 1 CFAF O=C1C[C@@H](c2ccc(O)cc2)Oc2c(O)ccc(O)c21 14806930 SMRHIFAZRRVAQZ-ZDUSSCGKSA-N 272.256 2.510 0 1 CFAF endogenous,in-man O=C(c1c[nH]cn1)c1nccc2c1[nH]c1ccccc12 14885579 LDAYUUNBNSTTAQ-UHFFFAOYSA-N 262.272 2.670 0 1 CFAF Cc1nc2cc(C(=O)Nc3cccnc3)ccc2n1C 103265230 YULYEBUQWCUBDA-UHFFFAOYSA-N 266.304 2.529 0 1 CFAF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cccs1 101966138 ORKADUSJDCLKCH-JPQYHBGPSA-N 290.348 2.841 0 1 CFAF COc1cc(C=CCOC(C)=O)ccc1OC(=O)C(C)C 2356516189 OTZYSHCTFLTWNP-UHFFFAOYSA-N 292.331 2.833 0 1 CFAF C[C@H]1[C@@H]2OC[C@](C)(C[C@H]2C)[C@]12O[C@H](C)[C@H](C)[C@@H](O)[C@H]2C 2356523197 JVXCLXYHRVUZGU-GAXVXPCYSA-N 282.424 2.858 0 1 CFAF Cc1c(O)c(C=O)c(O)c2c1O[C@@H](c1ccccc1)CC2=O 3581772 OPZHOLABNKMTHG-CYBMUJFWSA-N 298.294 2.925 0 1 CFAF biogenic O[C@H]1/C(=C/c2ccccc2)CCC[C@@H]1CN1CCOCC1 40939115 FLFFSFQQKWCSLH-WWMCSRHNSA-N 287.403 2.563 0 1 CFAF Nc1nc(N2CCCCCC2)c2c(n1)[nH]c1ccc(O)cc12 142155516 QZHMPTBTKYKHIE-UHFFFAOYSA-N 297.362 2.779 0 1 CFAF C[C@@]1(c2cccc(-c3cncnc3)c2)N=C(N)CCS1 96906017 JSYIAPKPQCPSGC-OAHLLOKOSA-N 284.388 2.810 0 1 CFAF Cc1[nH]c(C)c(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c1C 299820317 KPLSOYGJUKUPHY-WDNDVIMCSA-N 276.380 2.722 0 1 CFAF Oc1nc(O)c2ccc(-c3ccc4[nH]ccc4c3)nc2n1 587556091 SVXXMNWACUHRBJ-UHFFFAOYSA-N 278.271 2.584 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc(C)n1)O2 587394254 RTGCXDYXVSOLJX-ZDUSSCGKSA-N 258.277 2.580 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(C(=O)O)CC1)O2 587403068 DQDBDIIXCVZVCQ-UHFFFAOYSA-N 289.331 2.556 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC13CCOCC3)O2 587407993 GFEKVGNFAWXRRJ-QGZVFWFLSA-N 287.359 2.872 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O)cc1O)O2 587405355 VXBVTMNXPVNCDQ-OAHLLOKOSA-N 285.299 2.695 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3n[nH]c(C)c31)O2 587395422 COBFIHDXEZPZTG-QGZVFWFLSA-N 297.358 2.806 0 1 CFAF FC(F)C(F)(F)c1nc2cc3cn[nH]c3cc2[nH]1 587089048 IFZWIVATWOBXNW-UHFFFAOYSA-N 258.178 2.796 0 1 CFAF Oc1ccc(C2(c3nc4cnc(Cl)[nH]c-4n3)CC2)cc1 586896214 LTWHZWOCTPWSFG-UHFFFAOYSA-N 286.722 2.743 0 1 CFAF CCO[C@H]1CCC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587441386 GVJHTQUSXYNOLL-HACGYAERSA-N 288.343 2.770 0 1 CFAF C[C@H](C(=O)O)n1c(O)cc2cc(Br)ccc21 957575449 ZPQWEQGLNHRUTR-ZCFIWIBFSA-N 284.109 2.755 0 1 CFAF C[C@H](C(=O)O)c1ccc2cc([S@@](C)=O)ccc2c1 1857571748 WSORMMUWTNPYQP-NIVTXAMTSA-N 262.330 2.765 0 1 CFAF Cc1ccc(/C=C(\CCCCP(=O)(O)O)C(=O)O)cc1 1857765395 HIRDUXXMMGEGDH-JLHYYAGUSA-N 298.275 2.811 0 1 CFAF C[C@H](NC(=O)OCCCc1c[nH]cn1)c1ccccc1 13747099 VJLNCFYXBMIHAV-LBPRGKRZSA-N 273.336 2.830 0 1 CFAF COc1cc(O)cc(O)c1C(=O)CCc1ccccc1 14652636 FYPYWIYWMVCNCS-UHFFFAOYSA-N 272.300 2.922 0 1 CFAF biogenic,in-vitro COc1ccc(SC)c2c1C[C@H]1[C@@H](C2)O[C@@H](C)CN1C 169325993 AIHRHPNPPYSHMX-VZJVUDMVSA-N 293.432 2.603 0 1 CFAF Cn1cc(-c2[nH]cnc2-c2ccc(F)cc2)ccc1=O 1857551684 QXLXUFQMLZRGPI-UHFFFAOYSA-N 269.279 2.582 0 1 CFAF Nc1ncc(Cc2ccc(-c3ccccc3)cc2)c(N)n1 13726753 UVFCOEHLSTZCHI-UHFFFAOYSA-N 276.343 2.899 0 1 CFAF COC(=O)c1ccc2c(c1)C[C@]1(C2)Cc2ccccc2C1=O 1855398 RJBGYEUVIFZJGS-IBGZPJMESA-N 292.334 2.997 0 1 CFAF CS(=O)(=O)c1cnc2c(c1)CC[C@@H](c1ccccc1)O2 6303214 AWCZUACANNUUIL-AWEZNQCLSA-N 289.356 2.551 0 1 CFAF Cc1ccc2c(c1)c(Cn1ccnc1)cn2CCC(=O)O 27085864 VYUHFQSTEVDLCB-UHFFFAOYSA-N 283.331 2.669 0 1 CFAF O=C(NCc1ccco1)c1ccc(C(=O)C(F)(F)F)cc1 28880349 PEDVJRWCJBHDOH-UHFFFAOYSA-N 297.232 2.955 0 1 CFAF Cc1cc2nc(-c3nc4c(s3)CCCC4)cc(O)n2n1 23399405 ANWNDJZGRWUFHS-UHFFFAOYSA-N 286.360 2.746 0 1 CFAF CO[C@H](C=C[C@](C)(O)C1CCC(C)(NC=O)CC1)C(C)C 2356797917 OPPJMGISMDXIJV-MYBQVCMBSA-N 297.439 2.660 0 1 CFAF COc1ccc(C(=O)Cn2cc(-c3ccccc3)nn2)cc1 44603258 ZHRUTUIMKHUCBT-UHFFFAOYSA-N 293.326 2.837 0 1 CFAF O=C1NCCn2c1cc1cc(F)cc(-c3ccncc3)c12 143973607 SYAHXLLFAVCMQL-UHFFFAOYSA-N 281.290 2.586 0 1 CFAF Cn1ccnc1Sc1cccc(-c2cccc(=O)[nH]2)c1 95921436 YYWBGPHQPMDZEM-UHFFFAOYSA-N 283.356 2.927 0 1 CFAF in-vitro C[C@H](F)[C@@H](N)c1nc2ccc(F)c(Br)c2[nH]1 587125558 SHBXEVLHASCPAR-RNHFCUEFSA-N 290.111 2.822 0 1 CFAF CC(=O)c1c(-c2cnn(C)c2)[nH]c2cccc(F)c12 587636300 VGFHPPYWDQWZKS-UHFFFAOYSA-N 257.268 2.910 0 1 CFAF Nc1c(F)c(F)cc(-c2nc3nc(Cl)c[nH]c-3n2)c1F 587136588 KRHHJMKFFOQYEL-UHFFFAOYSA-N 299.643 2.624 0 1 CFAF Cc1cc2nc([C@@H](O)c3cccc(O)c3)[nH]c2cc1F 586890687 LPFUIYLCIPKQMZ-AWEZNQCLSA-N 272.279 2.798 0 1 CFAF O=C1c2cccc3c2N(CCC3)C(=O)[C@@H]1c1ccccc1 957743286 UQBBUEVKBRBZJV-OAHLLOKOSA-N 277.323 2.946 0 1 CFAF O=C(NCc1ccccc1)n1cnc2ccccc21 1772632849 MLJHYHUNSXTKHV-UHFFFAOYSA-N 251.289 2.794 0 1 CFAF COc1cc(O)cc(CCc2cccc(O)c2OC)c1 13340211 RSTDNUBRTQLVBF-UHFFFAOYSA-N 274.316 2.900 0 1 CFAF biogenic,in-vitro C/C=C(/C[C@](O)(CC)CCCC)[C@H](O)CC(=O)OCC 13458438 RKEPFFPHCGFVOF-HWRHMDFFSA-N 286.412 2.968 0 1 CFAF CC(=O)N1c2ccccc2N(C(=O)C2CCCC2)C[C@@H]1C 1857755010 BUJVVMBJKZVXOR-LBPRGKRZSA-N 286.375 2.965 0 1 CFAF Cc1cccc2c1S(=O)(=O)c1c(C)cccc1C2=O 13779774 DWXXQWWPBVKNGM-UHFFFAOYSA-N 272.325 2.681 0 1 CFAF CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1C(C)C 427228 OCTFNPKHWGFJBB-FZMZJTMJSA-N 274.364 2.507 0 1 CFAF Oc1cc(O)n(-c2ccc(Cl)cc2)c(=S)n1 457798 DACWOYFGOJZYJO-UHFFFAOYSA-N 254.698 2.666 0 3 CFAF CC[C@H](C)[C@@H]1[C@H](C)[N@]1S(=O)(=O)c1ccc(C)cc1 2356320478 KOUBNLRNADVRIY-VIRABCJISA-N 267.394 2.803 0 1 CFAF C1=Nc2ccccc2[C@@H]1CCNc1[nH]cnc2ncnc1-2 101365243 JUEVJILVDUGDAL-SNVBAGLBSA-N 278.319 2.606 0 1 CFAF Cc1sc(-c2ccccc2)cc1C(=O)CC(=O)C(=O)O 28527367 NIXVKKZBHCQGCD-UHFFFAOYSA-N 288.324 2.950 0 1 CFAF Cc1[nH]cnc1Cn1cccc(-c2ccsc2)c1=O 26989499 KCBNIJBUCHNLEY-UHFFFAOYSA-N 271.345 2.657 0 1 CFAF COc1ccc(C=CC(=O)N(C)CCCCN(C)C)cc1 2356434370 OVRMRXNPYHPEPY-UHFFFAOYSA-N 290.407 2.509 0 1 CFAF CCC=CC=C[C@]1(C)Oc2cc(C)nc(O)c2C1=O 2356442440 CFWCYJBZDBUGNX-HNNXBMFYSA-N 259.305 2.952 0 1 CFAF CC(=O)O[C@H](C(=O)Cc1c[nH]c2ccccc12)C(C)C 64512765 JPHYKCBNYFYLPX-INIZCTEOSA-N 273.332 2.867 0 1 CFAF CCc1c(OC)cc(OCCCCC(=O)O)cc1OC 2356837095 LGPXJLXCHGTUOZ-UHFFFAOYSA-N 282.336 2.900 0 1 CFAF NCc1cccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 315530131 GDKDLQCKVIJQFB-UHFFFAOYSA-N 295.342 2.850 0 1 CFAF Oc1cccc([C@H]2NC(=S)Nc3ccccc32)c1 89455591 PYVSDXZSGDQWKQ-CYBMUJFWSA-N 256.330 2.782 0 1 CFAF CN(C)c1ccc(-c2nc3cc(O)ccc3o2)cn1 49047264 RTEOLQIZQATWRQ-UHFFFAOYSA-N 255.277 2.661 0 1 CFAF COc1ccc(F)c(F)c1[C@@H]1NCCc2ccc(O)cc21 96813570 HMCPQXYQNGEMQG-MRXNPFEDSA-N 291.297 2.914 0 1 CFAF O=C(Nc1nc(-c2ccccn2)co1)c1ccccc1 96937860 LOLQLASGXUSUJO-UHFFFAOYSA-N 265.272 2.989 0 1 CFAF C[C@@H]1CN([C@H]2CCCC[C@H]2O)CCN1c1ccccc1 253634675 IKPMULIIVRGEMT-HYVNUMGLSA-N 274.408 2.501 0 1 CFAF NC[C@@H]1C[C@H]1c1c(OCCF)ccc(Cl)c1F 653707682 DSHRLEYUYDHKAE-JGVFFNPUSA-N 261.699 2.890 0 1 CFAF N=c1cc2nc(-c3csc4ccc(O)cc34)[nH]c2c[nH]1 587032211 QQYLRDJCTSKJHH-UHFFFAOYSA-N 282.328 2.958 0 1 CFAF O[C@@H]1C[C@@H](c2nc3cnccc3[nH]2)c2ccccc21 586904884 WDNRHMKWCTULIN-BXUZGUMPSA-N 251.289 2.527 0 1 CFAF Cc1cc(F)c2[nH]c(Cc3ccc(C(=O)O)cc3N)nc2c1 587249356 JDNOOTYTSMPVOG-UHFFFAOYSA-N 299.305 2.882 0 1 CFAF NC(=O)c1cccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c12 587089971 JREIDOSLFWRRDG-VIFPVBQESA-N 295.623 2.585 0 1 CFAF COc1cc2c3c(c1)O[C@]1(CCOC(C)(C)C1)[C@@H](C2)C3=O 587456336 UAUFVXHWBYPEEJ-SJCJKPOMSA-N 288.343 2.770 0 1 CFAF Oc1ncnc2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc12 587084862 HVDHQULZODDKOR-UHFFFAOYSA-N 297.705 2.927 0 1 CFAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(=N)[nH]cc2[nH]1 587152266 YVEIIUYKFKBYNI-ZETCQYMHSA-N 290.273 2.789 0 1 CFAF CCCC[C@H]1CCc2nc3nc(O)nc(O)c3cc2C1 587561345 GSCQYJMMZAGEGW-VIFPVBQESA-N 273.336 2.731 0 1 CFAF COc1cncc(N)c1-c1nc2c(C)cccc2[nH]1 587253498 ASQZXKWZCKDSMI-UHFFFAOYSA-N 254.293 2.524 0 1 CFAF COc1cc2c3c(c1)O[C@H]([C@H]1CCCSC1)[C@@H](C2)C3=O 587454584 YWYIZRZTDOPVKB-RVIYUIFMSA-N 290.384 2.954 0 1 CFAF CCOC[C@@H]1CCC[C@]12NCCc1c(C(=O)O)cccc12 963133921 UTVMLZMPTHMAMJ-SJCJKPOMSA-N 289.375 2.562 0 1 CFAF COCCO[C@@]1(C)Cc2ccc(C(C)C)c(O)c21 222130041 DOJDLJQPFKPVEF-HNNXBMFYSA-N 250.338 2.950 0 1 CFAF Oc1nc(SCc2ccc(Cl)cc2)c2ncnc-2[nH]1 5974112 ZWIZTQAWPMULMQ-UHFFFAOYSA-N 292.751 2.956 0 1 CFAF CCCCOc1c(C(=O)C2CC2)cnc2n[nH]cc12 12354785 MUSSOUOPFGDGJI-UHFFFAOYSA-N 259.309 2.730 0 1 CFAF C[C@@H]1C[C@@](O)(CC(=O)O)c2cc(Cl)cc(Cl)c2O1 13456120 QRCWGIHAMBWGFI-SREIQFSDSA-N 291.130 2.827 0 1 CFAF C[C@@H]1C[C@]23CCN(C4CC4)[C@H](Cc4ccc(O)cc42)[C@H]3O1 169316845 WQUPWYDTMSCCOT-INXYXQHBSA-N 285.387 2.600 0 1 CFAF CC(=CC(=O)O)[C@@H]1CC2=CCCC(C)(C)[C@H]2[C@H]1O 2356438450 GNCWMCSOOYUYGR-YUTCNCBUSA-N 250.338 2.761 0 1 CFAF CC[C@H](OC(C)=O)c1ccc(OC(C)=O)c(OC(C)=O)c1 103255908 TZTWWWIHMHORLV-ZDUSSCGKSA-N 294.303 2.551 0 1 CFAF CC(C)(C)[C@H](O)[C@H](CCc1ccccc1)n1cncn1 27429449 FUEUANSVRKTDPM-LSDHHAIUSA-N 273.380 2.859 0 1 CFAF F[C@H]1CN(CC2CC2)C[C@@H]1OCc1nc2ccccc2o1 2356302499 XAZKRTPGZSINHM-WFASDCNBSA-N 290.338 2.777 0 1 CFAF Cc1occc1-c1nnc2n1N[C@@H](c1cccn1C)S2 28712932 IGJXREPZAWEWBA-GFCCVEGCSA-N 287.348 2.533 0 1 CFAF CC[C@@H]1CC(=O)C[C@@]23CCN(C)[C@@H](Cc4ccc(O)cc42)[C@@H]13 29475538 SZIGYSMMOMTFKG-UCVSXLDNSA-N 299.414 2.896 0 1 CFAF CC(C)[C@@H]1CC(=O)c2cc([C@H](C)C(=O)O)ccc2O1 72283563 IMEPSBLHFMECET-XPTSAGLGSA-N 262.305 2.865 0 1 CFAF CN1[C@@H]2CCC[C@@H]1[C@@H](OC(=O)C1CCCCC1)C2 195269128 OALBGXZFCMPEGE-MCIONIFRSA-N 251.370 2.735 0 1 CFAF COC(=O)c1c(O)cc(O)cc1CCc1ccccc1 197385904 ROMUMXDSMIIOLM-UHFFFAOYSA-N 272.300 2.670 0 1 CFAF CCN1C(=O)N[C@H]2C(=C1C)C(=O)Nc1c(Cl)cccc12 45498521 CLVVOQGADUTINK-GFCCVEGCSA-N 291.738 2.652 0 1 CFAF Cc1cc(-c2cccnc2Nc2cccc(O)c2)nc(N)n1 95550233 BOTIAYBHKRBVMN-UHFFFAOYSA-N 293.330 2.878 0 1 CFAF O=C(c1nc2ccc(O)cc2s1)c1cc(O)ccc1O 95554896 ZFCZNYJPBZYVQJ-UHFFFAOYSA-N 287.296 2.644 0 1 CFAF Cc1cc(C)c2c(c1)O[C@@]1(OC(=O)c3ccccc31)C2=O 95590048 GZBDVSKMCBUIKF-KRWDZBQOSA-N 280.279 2.902 0 1 CFAF COC(=O)C(C)(C)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587401788 YKYGVRIPBHTPLP-MRXNPFEDSA-N 291.347 2.500 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)-c1cccc2c1[C@@H]3CCC2 587560940 CQAWISGSHJSGRX-SECBINFHSA-N 291.310 2.885 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C[C@H]1CCCOC1)O2 587413995 UXMWBUBOPHFYDF-VXGBXAGGSA-N 275.348 2.728 0 1 CFAF COc1cc2nc([C@@H](O)CC(C)C)[nH]c2cc1F 586900740 KRCTZGPTGPOOMI-NSHDSACASA-N 252.289 2.790 0 1 CFAF COc1cc2nc(-c3cc(F)cc(F)c3O)[nH]c2cn1 587133886 GRAUDFLAYBOEKS-UHFFFAOYSA-N 277.230 2.617 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccc(C)n1C)[C@@H](C2)C3=O 587429270 ARACLRYHODMTHI-SJCJKPOMSA-N 283.327 2.831 0 1 CFAF FC(F)(F)OCc1nc2ccnc(Cl)c2[nH]1 587125365 SCPTXLFIRHXXRF-UHFFFAOYSA-N 251.595 2.648 0 1 CFAF c1ccc(-c2ccccc2OCC2=NCCN2)cc1 13437787 BPRZPBVOIULUSI-UHFFFAOYSA-N 252.317 2.734 0 1 CFAF O=C1C=C(N2CCCC2)CN1c1ccc(Cl)cc1 13683758 VQQWCAINZIGPJI-UHFFFAOYSA-N 262.740 2.666 0 1 CFAF CC(=O)Cc1ccc(OCCCc2c[nH]cn2)cc1 13814579 YANLKCXBPFAITI-UHFFFAOYSA-N 258.321 2.553 0 1 CFAF C[C@H](CN)CNc1cc(-c2ccncc2)nc2cnccc12 1857549689 YHSOXRLOLXWILN-GFCCVEGCSA-N 293.374 2.699 0 1 CFAF Cc1ccc(C(=O)Cn2c3c(sc2=O)CCCC3)cc1 28528034 YULJWWCBGXTJKY-UHFFFAOYSA-N 287.384 2.980 0 1 CFAF CCO[C@@H]1[C@@H]2[C@H](C(C)C)CC[C@H](C)[C@]2(O)CC[C@]1(C)O 2356376040 MQOGRIRJXIYHKV-JQVOGXOBSA-N 284.440 2.986 0 1 CFAF CC1=C[C@H](O)[C@@H]2[C@H](C=C(C)CCC1)OC(=O)[C@H]2C 2356444003 GVPJXSQYSBKZEM-XDQVBPFNSA-N 250.338 2.602 0 1 CFAF CCCCOC1=CC(=O)O[C@@H]([C@@H](O)CCCC)C1 2356608876 JMXFQDONSSPQOG-QWHCGFSZSA-N 256.342 2.554 0 1 CFAF O=C(O)[C@]1(CCCc2cccc(C(F)(F)F)c2)CO1 39343008 LIVPKBASMBBPGB-LBPRGKRZSA-N 274.238 2.882 0 1 CFAF COc1cc2cc(C3CCNCC3)oc2cc1OC 35000822 FZFOTSIMQZCSAS-UHFFFAOYSA-N 261.321 2.917 0 1 CFAF COc1ccnc(CSc2nc3ncccc3[nH]2)c1 72107762 BZRKCTWXNVTJAY-UHFFFAOYSA-N 272.333 2.654 0 1 CFAF O=C1NC(=O)N(CCc2ccccc2)/C1=C\c1ccccc1 40764132 IBVCTRHXFPZWIF-SSZFMOIBSA-N 292.338 2.822 0 1 CFAF C[C@@H]1C(=O)C[C@]23CCN(C)[C@H](Cc4ccc(O)cc42)[C@@H]3[C@H]1C 40800989 UXGGGGCNEATCRR-KWCTYANWSA-N 299.414 2.751 0 1 CFAF CN1CC[C@]23c4c5cccc4O[C@H]2CCC[C@@H]3[C@@H]1C5 145061918 HWXKCCDLLDWFIH-RPCCPQHDSA-N 255.361 2.746 0 1 CFAF Cc1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2[C@@H]2C[C@@H]32)c1 230135851 SGZYQAYFUHQODN-SBOZNWLOSA-N 297.354 2.702 0 3 CFAF COC(=O)Nc1ccc(-c2nc3ncc(F)cc3[nH]2)cc1 587244004 UZASCTGWPNVEOZ-UHFFFAOYSA-N 286.266 2.942 0 1 CFAF Fc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1F 587146013 ZTTYGPPUGINBGT-UHFFFAOYSA-N 296.327 2.876 0 1 CFAF Oc1nncc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c12 587084599 DSWUSMAADKDARN-UHFFFAOYSA-N 297.705 2.927 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)CC[C@@H]1CCCC[C@H]31 587562405 ZMUQIBAPCGHVCR-IUCAKERBSA-N 271.320 2.656 0 1 CFAF COc1ccc(Cl)c2c1CCN[C@H]2c1ncco1 963256193 BOYHUYDOGTUMPQ-GFCCVEGCSA-N 264.712 2.572 0 1 CFAF CC(=O)Nc1ccccc1[C@H]1NCCc2ccc(O)cc21 963353077 PNVZNBIYDMJMLQ-QGZVFWFLSA-N 282.343 2.586 0 1 CFAF Cn1c(N)c(C#N)c2cc(OCc3cccc(N)c3)ccc21 148718508 DBDFIKCROZYTSQ-UHFFFAOYSA-N 292.342 2.793 0 1 CFAF c1cc2c(ncn3nnc([C@@H]4C[C@H]5CC[C@H]4C5)c23)[nH]1 1772640088 SNLKNTUIVFHPNV-ATZCPNFKSA-N 253.309 2.509 0 1 CFAF Cc1nnc2n1-c1cccnc1N(C1CC1)c1ncccc1-2 5932565 VJGRDTMGDGDUAA-UHFFFAOYSA-N 290.330 2.647 0 1 CFAF CN1CCN(C2=Nc3cccnc3Oc3ccccc32)CC1 13734577 LSUUDGRQSAQSCO-UHFFFAOYSA-N 294.358 2.513 0 1 CFAF COc1ccc2c(c1)c(=O)cc(-c1ccc(O)cc1)n2C 14504172 COFCROPUZBFJMG-UHFFFAOYSA-N 281.311 2.920 0 1 CFAF biogenic,in-vitro Oc1ccc(C2=Cc3ccc(O)cc3OC2)c(O)c1 14811646 IHOXLUDKLLDPHW-UHFFFAOYSA-N 256.257 2.736 0 1 CFAF biogenic,in-vitro Oc1ccc(-c2c[nH]nc2-c2c(O)cc(O)cc2O)cc1 1857641948 GAKYAQYDDKTHLL-UHFFFAOYSA-N 284.271 2.566 0 1 CFAF Cc1cc(C)n(-c2c(O)ccc(O)c2-n2nc(C)cc2C)n1 1629852 GXEOMTLNPFCXRA-UHFFFAOYSA-N 298.346 2.703 0 1 CFAF CCOc1cccc(C2CC(=O)CC(=O)C2)c1OCC 102923280 ZBWMIODJNPHJEU-UHFFFAOYSA-N 276.332 2.890 0 1 CFAF CCc1cc(N(C)C)cc2nc(NC(C)C)oc(=O)c12 27546915 DWYFQVVLCAQPFV-UHFFFAOYSA-N 275.352 2.637 0 1 CFAF CCC[C@H]1Nc2cccc([C@@H]3C[C@H]3CNC(C)=O)c2O1 28224458 VUJKACBPUKWALD-LNSITVRQSA-N 274.364 2.857 0 1 CFAF CCc1cc(OC)cc2nc(NC(C)C)oc(=O)c12 27548264 BIJLNOVPCNFMKR-UHFFFAOYSA-N 262.309 2.579 0 1 CFAF COc1ccccc1NC(=O)CC12CCCN1CCC2 27758661 MPYGCPGYHSZVFL-UHFFFAOYSA-N 274.364 2.652 0 1 CFAF Cn1c2c(c3ccccc3c1=O)[C@H](O)c1ccccc1-2 29129433 CGBWHDVBRQFKIV-MRXNPFEDSA-N 263.296 2.601 0 1 CFAF CC1=Cc2occ(C)c2[C@H]2C=C(CC[C@@H]1O)C(=O)O2 2356545483 JWFQYTGNEFSYSJ-WCQYABFASA-N 260.289 2.670 0 1 CFAF CC(=C[C@@H]1CC[C@H](C)[C@@H]2C1=C(C)C[C@@H]2O)C(=O)O 2356663824 XJNQXTISSHEQKD-FNYBSCSFSA-N 250.338 2.761 0 1 CFAF c1ccc([C@H]2CN3CCNC[C@@H]3c3ccccc32)cc1 36288965 IVDVHWNKPARSHK-QZTJIDSGSA-N 264.372 2.778 0 1 CFAF CC[C@H](O)C[C@@H]1CC=C[C@H](C[C@H](O)c2ccccc2)N1C 38924258 OMUMGOBALZYAGR-MHORFTMASA-N 289.419 2.900 0 1 CFAF CC(C)n1ncnc1-c1cn2c(n1)-c1ccccc1OCC2 96269672 FMFMUUUKWLZXTR-UHFFFAOYSA-N 295.346 2.782 0 1 CFAF Cc1cc(O)c2oc(=O)c(O)c(-c3ccc(O)cc3)c2c1 473130893 MDZOYIWYLUYJEL-UHFFFAOYSA-N 284.267 2.885 0 1 CFAF O=C(CCN1CCCCC1)N1C(=O)CCC12CCCCC2 653762837 UFUGALOWOWVVAD-UHFFFAOYSA-N 292.423 2.714 0 1 CFAF COc1cc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c2cn1 587243129 AXWDNZDKIMONMN-FPLPWBNLSA-N 294.314 2.618 0 1 CFAF N=c1cc2nc(CCCCc3cccc(O)c3)[nH]c2c[nH]1 586895921 DHUHVDCEDDFBNX-UHFFFAOYSA-N 282.347 2.641 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCC[C@@H]1CCO)O2 587405983 ZPPCILFPPAIOTI-SJKOYZFVSA-N 289.375 2.854 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nccs1)O2 587413538 PDRXFMOUUVRXAT-NSHDSACASA-N 260.318 2.740 0 1 CFAF COc1ccc([C@H](O)[C@H](C)c2nc3ccnc(O)c3[nH]2)cc1 587934406 DLLHUSCAABONIO-LKFCYVNXSA-N 299.330 2.509 0 1 CFAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H](N)C1)CC2=O 587472982 PKKVFOGTPAWEOW-PIGZYNQJSA-N 289.375 2.950 0 1 CFAF Cc1cncc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c12 587021756 OQBLLRIVVIHNPF-UHFFFAOYSA-N 296.359 2.790 0 1 CFAF CC[C@H]1OCCC[C@H]1c1nc2cnc(Cl)[nH]c-2n1 586912278 NPAKCGQTPKZJPD-VXNVDRBHSA-N 266.732 2.631 0 1 CFAF Fc1cccc2c(-c3nc4cc5c(cc4[nH]3)OCO5)n[nH]c12 587176005 FBGGZSRXVZFFRN-UHFFFAOYSA-N 296.261 2.974 0 1 CFAF CSc1ccc2c(c1)-c1nc3nc(O)nc(O)c3cc1C2 587562675 IDOBPEGJNHTLOG-UHFFFAOYSA-N 297.339 2.729 0 1 CFAF CC[C@@H]1OCCC[C@H]1c1nc2nc(Cl)c[nH]c-2n1 586909943 GGEIQZZJDDXWDM-SFYZADRCSA-N 266.732 2.631 0 1 CFAF CN1C=CN(COC2CCCCCC2)C1=CN=O 1857539247 SEXRBMQJOVLAOR-UHFFFAOYSA-N 251.330 2.967 0 1 CFAF O=c1oc2cc(O)cc(O)c2cc1-c1cccc(O)c1 1772649496 SNVOOIIBCXIPDV-UHFFFAOYSA-N 270.240 2.577 0 1 CFAF CC(=O)Nc1nc2ncccn2c1-c1ccc(C)cc1 203466058 RFPGMTWZTPPIQS-UHFFFAOYSA-N 266.304 2.663 0 3 CFAF O=[S@]1c2ccccc2SN1CCN1CCCCC1 27652030 LREIPDKMQRDVIJ-GOSISDBHSA-N 282.434 2.518 0 1 CFAF COc1cc2cc[n+]3c(c2cc1OC)C(=O)c1ccccc1-3 1619688 QDIBUWVKVQIARU-UHFFFAOYSA-N 292.314 2.678 0 1 CFAF CCOP(=O)(OCC)[C@H](Cc1ccccc1)NC(C)=O 2351585 JFYKKTBPZJRJRG-CQSZACIVSA-N 299.307 2.957 0 3 CFAF CCc1nn(C)c(C(=O)NCc2ccc(C)cc2)c1Cl 103196621 XUXJGJYIFRMBOE-UHFFFAOYSA-N 291.782 2.874 0 1 CFAF COc1c(O)cccc1C(=O)OCc1ccccc1 103253930 MDJFANQQBBPYQU-UHFFFAOYSA-N 258.273 2.758 0 1 CFAF CC(C)(C)CNC1=NCCNC(c2ccccc2F)=C1 101099173 FIQYTMTZEUGCAK-UHFFFAOYSA-N 275.371 2.804 0 1 CFAF COC1(OC)CC[C@@]2(C)O[C@@H](c3ccccc3)[C@H]1O2 102975791 IWPNHSXUSSCPPK-MJBXVCDLSA-N 264.321 2.642 0 1 CFAF CCc1nnc2c(NC(C)C)nc3ccc(F)cc3n12 26379228 GOBGLRRKPKSIQT-UHFFFAOYSA-N 273.315 2.799 0 1 CFAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(C)c(F)c1)N2 101041046 QDZIBQWKRRRXAL-MYZSUADSSA-N 277.339 2.531 0 1 CFAF COc1cccc([C@H](O)c2nc(-c3cncnc3)cs2)c1 61906739 MEKWUYMTQDSGDN-AWEZNQCLSA-N 299.355 2.690 0 3 CFAF CC1(C)[C@H]2CC[C@@H]3CCC[C@@H]4[C@H](O)C(C(=O)O)=C(C2)[C@@]341 2356504604 XJERJSQMJZUBLS-ORMCXPGJSA-N 276.376 2.985 0 1 CFAF CN1C(=O)CC[C@H]2[C@@H]3CC[C@]4(C)[C@@H](O)CC[C@@H]4[C@@H]3CC[C@H]21 29413774 SQCYNKYOQAZHHL-DHMVHTBWSA-N 291.435 2.821 0 1 CFAF CC(C=CC=C(C)[C@@H](O)[C@@H](C)C(=O)O)=Cc1coc(C)n1 2356672645 RVJCGWFQEPVLGJ-IUODEOHRSA-N 291.347 2.970 0 1 CFAF CCc1nn(C2CCCC2)c2c1CCn1c(C)nnc1-2 35091002 CETJNSZDXOHORV-UHFFFAOYSA-N 271.368 2.684 0 1 CFAF C[C@H]1C(=O)N[C@@H](c2ccc(N)cc2)c2ccccc21 33823688 FPUPDLSHPPVPLS-BMIGLBTASA-N 252.317 2.592 0 1 CFAF Cc1cccc(-c2nn(O)cc2C2CCNCC2)c1 49112404 SMALKIPNDRHPDW-UHFFFAOYSA-N 257.337 2.563 0 1 CFAF CCOC(=O)c1cc(COc2ccc3cccnc3c2)on1 45355780 JVNOQFXPNFCLGR-UHFFFAOYSA-N 298.298 2.979 0 1 CFAF CN(C)c1ccc(-c2nc3ccc(O)cc3o2)cn1 49047222 HMECLUHCEMVGIG-UHFFFAOYSA-N 255.277 2.661 0 1 CFAF O=C(O)c1cc2ccn(Cc3ccccc3F)c2cn1 45254355 WGSDPMWBKJLLJX-UHFFFAOYSA-N 270.263 2.922 0 1 CFAF CCCc1c(O)ccc2c1O[C@](CO)(C(C)C)CC2=O 587478417 ATDOWBCGEDAVGV-MRXNPFEDSA-N 278.348 2.697 0 1 CFAF CC(=O)c1ccc2nc([C@@H](O)c3cccc(O)c3)[nH]c2c1 586893145 ULLPHTNHWZIVRZ-HNNXBMFYSA-N 282.299 2.553 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C)cn1)CC2=O 587472091 XVQUCOKXZWPFBM-OAHLLOKOSA-N 286.331 2.785 0 1 CFAF N[C@@H](c1nc2cc(Cl)c(Cl)nc2[nH]1)C1CC1 587256110 YQYIWPDOIUXLNU-SSDOTTSWSA-N 257.124 2.675 0 1 CFAF Cc1cc(C)c2[nH]c([C@H](O)C3CCOCC3)nc2c1 586914286 YWQIPIRDXPJKOM-CQSZACIVSA-N 260.337 2.640 0 1 CFAF COc1cc2nc(-c3ccc(C)cc3OC)[nH]c2cn1 587924995 IGVKMHSNZVIFDZ-UHFFFAOYSA-N 269.304 2.951 0 1 CFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)OC 587871917 PVUIXEOIACJQAU-UHFFFAOYSA-N 264.256 2.702 0 1 CFAF Cc1ccnc2nc(-c3n[nH]c4c(F)cccc34)[nH]c12 587177215 CWWHAMXSLMACBH-UHFFFAOYSA-N 267.267 2.949 0 1 CFAF COc1cccc([C@@H](C)Cc2nc3cncnc3[nH]2)c1 587932311 SHWMKUJWLRTZOJ-JTQLQIEISA-N 268.320 2.708 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C1(O)CCCC1)O2 587403818 LSCXQHZKYXGDKF-HNNXBMFYSA-N 275.348 2.606 0 1 CFAF COC(OC)[C@]1(c2ccccc2)Oc2ccccc2C1=O 5850843 HHDTWYKCZHZRDR-QGZVFWFLSA-N 284.311 2.776 0 1 CFAF Oc1c2c3c(c4c1OCO4)-c1ccccc1C[C@@H]3NCC2 13397554 CBHABFQDMCRWKQ-LBPRGKRZSA-N 281.311 2.531 0 1 CFAF biogenic,in-vitro O=C(/C=C\C=C\c1ccc2c(c1)OCO2)N1CCCC1 13537531 GQIJYUMTOUBHSH-KQBQUPHGSA-N 271.316 2.607 0 1 CFAF biogenic,in-vitro CSC[C@H]1C[C@@H]2c3cccc4[nH]nc(c34)C[C@@H]2N(C)C1 169328472 GRJIHXZSQOIHFF-NVBFEUDRSA-N 287.432 2.886 0 1 CFAF CNC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@@H]1N2C 169372458 VVUBAWQWFHXQPO-LJISPDSOSA-N 292.810 2.652 0 1 CFAF CO[C@@H]1O[C@@H](C)Cc2ccc3c(c21)O[C@H](C(C)C)C3=O 208841022 OOXIYCFKVAWYJC-FVLGBLRTSA-N 276.332 2.893 0 1 CFAF CN1CC[C@H]2CCC[C@@H](OC(=O)c3ccccc3)[C@H]2C1 2000182 QUTNNXHPFYIFFD-VNQPRFMTSA-N 273.376 2.964 0 1 CFAF CC(C)OC(=O)C(=O)CC1=NC(C)(C)Cc2ccccc21 4024042 FZVBROJXVWSDMF-UHFFFAOYSA-N 287.359 2.721 0 1 CFAF biogenic O=C(NC[C@H]1CCCO1)c1csc2c1CCCCC2 4119289 CQVZYGIOTLXFAC-LLVKDONJSA-N 279.405 2.926 0 3 CFAF Cc1cc2n[nH]c(=O)n2c2cc(-c3ccc(O)cc3)ccc12 58582601 XDVPSPPTGQHBFO-UHFFFAOYSA-N 291.310 2.857 0 1 CFAF COc1cc2c(c(OC)c1OC)C(=O)[C@H]1O[C@H]2[C@@H](C)[C@H]1C 2356404100 CTOMBICFHOIYRL-NVIQENEESA-N 292.331 2.621 0 1 CFAF CCCn1c(=O)[nH]c2cc3[nH]c(-c4ccncc4)nc3cc21 29311047 BITUZYQOSRMDTM-UHFFFAOYSA-N 293.330 2.678 0 1 CFAF CCCC=CC=CC=C(C)[C@@H]1OC[C@H](C)[C@H](O)[C@@H]1O 2356624902 SSDFRIQMXWLXBU-VGWMRTNUSA-N 266.381 2.602 0 1 CFAF CC[C@@](C)(O)C[C@H](C)c1cc(OC)c(C)c(=O)o1 2356809742 ASQJXEOZHCDEDM-LKFCYVNXSA-N 254.326 2.611 0 1 CFAF CC(C)n1nc(-c2cnc3[nH]ccc3c2)c2c(N)ncnc21 64485680 KTTGLAHMSDMRLJ-UHFFFAOYSA-N 293.334 2.533 0 1 CFAF Nc1ccc(Cl)cc1-c1ccc(C(=O)NC2CC2)[nH]1 42921459 XTTCMXBXSMUKQJ-UHFFFAOYSA-N 275.739 2.810 0 1 CFAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2c[nH]c(=N)[nH]c-2n1 587951949 KLIKVXFCIFVFRQ-FOGDFJRCSA-N 289.383 2.763 0 1 CFAF COc1ccc2nc([C@H](C)Sc3ncccn3)[nH]c2n1 586963500 KSEZIDLNSATFBB-QMMMGPOBSA-N 287.348 2.610 0 1 CFAF COc1cccc(Cc2nc3cnc(Cl)[nH]c-3n2)c1 587933193 YSRZJDKNTHECNR-UHFFFAOYSA-N 274.711 2.557 0 1 CFAF COc1cc(/C=C/C(=O)NCCc2ccccc2)ccc1O 13533843 QSHSRHRDAVWDHM-CSKARUKUSA-N 297.354 2.773 0 1 CFAF O=C1C[C@@H](c2ccc3c(c2)OCO3)c2cc(O)ccc2O1 13814636 ZRFBKIHTJKSSEK-NSHDSACASA-N 284.267 2.562 0 1 CFAF CC(C)c1cc(O)c(=O)ccc1CCC(C)(C)O 14614453 UJTUBQLWXQBGKD-UHFFFAOYSA-N 250.338 2.579 0 1 CFAF biogenic,in-vitro CN(C)C[C@@H](O)[C@@H](Cc1ccccc1)c1ccccc1 169314838 MEPBLVVYTHGDGY-ZWKOTPCHSA-N 269.388 2.935 0 1 CFAF CN1CCN([C@@H]2Cn3cccc3Sc3ccccc32)CC1 22778669 PUSGNVOFKAPWQM-OAHLLOKOSA-N 299.443 2.941 0 1 CFAF COC(=O)C[C@@H]1[C@H](Cc2ccccc2)C[C@@H]2CC[C@H]1N2C 7010 ANHMPRQCQIOCSZ-YYIAUSFCSA-N 287.403 2.891 0 1 CFAF CC1=C[C@H](CO)[C@@H](C(C)C)C[C@H]1CC(=O)N1CCCC1 2356320170 KXDPCDWIKHFAHD-ARFHVFGLSA-N 279.424 2.846 0 1 CFAF CC(C)CNC(=O)C=CC=CCC[C@@H]1C=C[C@H](C)O1 2356386908 ZXHACYOKQOFDTK-LSDHHAIUSA-N 263.381 2.995 0 1 CFAF C[C@H]1CCCCC[C@H](O)c2c(O)cc(O)cc2CC(=O)O1 6037514 XXERLAIMBWOKOC-GWCFXTLKSA-N 294.347 2.570 0 1 CFAF Cc1cc2c(cc1O)[C@]1(C)CCC(=O)C(C)(C)[C@H]1[C@@H](O)C2 2356393209 CRCGZPVGNSFIDX-LESCRADOSA-N 288.387 2.881 0 1 CFAF CC1=Nc2ncnn2[C@@H](c2ccncc2)/C1=C(\O)OC(C)C 101506435 GDCKBIBHHXPYPA-REQDGWNSSA-N 299.334 2.563 0 1 CFAF COc1ccc2c(c1)[C@]13CCN(C)[C@@H](C2)[C@@H]1CCC(=O)C3 101496628 FCJHDGUWJDXJKI-SZMVWBNQSA-N 285.387 2.562 0 1 CFAF O=C(CO)Nc1ccc(/C=C/c2ccccc2)cc1 29466382 ZKBNAOSECLVEFE-VOTSOKGWSA-N 253.301 2.788 0 1 CFAF CC(C)[C@@H](C=C[C@@]1(C)C[C@@H](O)CO1)CC[C@H](C)O 2356433464 KESQMTSCBAOJNY-YJNKXOJESA-N 256.386 2.516 0 1 CFAF C[C@@H]1C=C[C@@H]2C[C@](C)(O)CC[C@H]2[C@@H]1CCC(=O)O 2356685874 JCBGMXDVXDFMAS-FTQJZPFOSA-N 252.354 2.841 0 1 CFAF CN1CCC[C@@H]1CCNCc1coc(-c2cccs2)n1 72182707 VCOJCSQUISGZSO-CYBMUJFWSA-N 291.420 2.977 0 1 CFAF CCO[C@H](c1ccc(O)c(OC)c1)[C@@H](C)C(C)=O 49031233 YYHIZXWYZAXQKD-XPTSAGLGSA-N 252.310 2.704 0 1 CFAF O=C(O)Cn1ccc(-c2ccccc2C(F)(F)F)n1 86012968 JUVBHMJJBPKXGW-UHFFFAOYSA-N 270.210 2.654 0 1 CFAF CCCCCCNC(=S)[P@](=O)(O)[C@H](N)C(C)C 40651306 UNYJDMVNKAVUQP-JTQLQIEISA-N 280.374 2.652 0 1 CFAF CC(=O)OCCCCCCCOc1ccccn1 84689892 HIYDZDUEJVXUMD-UHFFFAOYSA-N 251.326 2.974 0 1 CFAF O=C1O[C@]2(Oc3cc(Cl)ccc3C2=O)c2ccccc21 95589168 FZEHYUMTBOCDFX-OAHLLOKOSA-N 286.670 2.939 0 1 CFAF OCCC[C@H](O)c1nccc2c1[nH]c1ccccc12 95619327 SPYBYBYFMPTBMD-ZDUSSCGKSA-N 256.305 2.522 0 1 CFAF endogenous,in-man CN(C)c1ncccc1-c1nc2cc3[nH]ncc3cc2[nH]1 587196534 ZQJUIZZKCPCFQY-UHFFFAOYSA-N 278.319 2.567 0 1 CFAF Clc1ccc(-c2nc3ncncc3[nH]2)nc1Cl 587084977 VYAXBRJWOIGWKK-UHFFFAOYSA-N 266.091 2.722 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(C1CC1)O2 587406350 GLTMVZGIQJFSNO-MRXNPFEDSA-N 289.331 2.556 0 1 CFAF Nc1cc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1N 587174288 GEYOGYXMQQKGSP-UHFFFAOYSA-N 295.321 2.939 0 1 CFAF O=C(CC(F)(F)F)n1ncc2ccc(Cl)cc2c1=O 587652262 ZUQFSWFEQCETMY-UHFFFAOYSA-N 290.628 2.643 0 1 CFAF CCCNc1nc(N)c2nc(-c3ccco3)sc2n1 1772577928 CWZAIFYZEWXELS-UHFFFAOYSA-N 275.337 2.750 0 1 CFAF CC1=CC[C@@H]2[C@@H](O[C@@H](c3ccc(F)cc3)C[C@]2(C)O)[C@@H]1O 1772626559 MUKPLLCMUIHJQJ-HHARLNAUSA-N 292.350 2.734 0 1 CFAF Cc1cnc(C[S@@](=O)c2nc3cscc3[nH]2)c(C)c1 13448571 MPKJWZHFEKRBIP-IBGZPJMESA-N 291.401 2.944 0 1 CFAF Cc1ccc(C)c(NC(=O)Nc2nc(O)c3n2CCC3)c1 169719167 BJJXPIBAFXDMFW-UHFFFAOYSA-N 286.335 2.796 0 1 CFAF Cn1ccc([C@@H](CC(=O)O)c2ccc(Cl)cc2)cc1=O 1857618412 AMEUMOTVCRUXGA-ZDUSSCGKSA-N 291.734 2.645 0 1 CFAF N#CC(C#N)=NNc1cc(F)c(Br)cc1F 117256 QXMFYVILNOKWMN-UHFFFAOYSA-N 285.051 2.542 0 1 CFAF CSc1nc(Cc2c(F)cccc2F)c(C)c(=O)[nH]1 13556538 XRNOWFHRLDKKSO-UHFFFAOYSA-N 282.315 2.669 0 1 CFAF Cc1ccc2cc([C@@H](CCN(C)C)n3ncnn3)ccc2c1 64353915 SWUGBRBZRRPPED-QGZVFWFLSA-N 295.390 2.676 0 1 CFAF COc1cccc2c1[C@@]13CCN(C)[C@@H](C2)[C@H]1CCC(=O)C3 29223544 IADSKKCDIYLTIM-RVKKMQEKSA-N 285.387 2.562 0 1 CFAF CO[C@@]12C[C@@H](CO1)C(CO)=C1CC(C)(C)C[C@H]1[C@H]2C 2356599903 QFXZTMBMDJGLJW-YRORDHRNSA-N 266.381 2.740 0 1 CFAF CC(=O)c1cc(-n2cnc3c(Cl)ncnc32)ccc1F 45256715 UKDPBCHSLCHQMZ-UHFFFAOYSA-N 290.685 2.811 0 1 CFAF O=C(CCc1ccc(O)cc1)C[C@H](O)Cc1ccccc1 49784542 VCYPQOKOSXRSOW-GOSISDBHSA-N 284.355 2.888 0 1 CFAF CO[C@]12C(=O)CC[C@@]1(CO)[C@@H]2/C(C)=C/CC=C(C)C 40567269 NTBXTHBAQMHZTL-AYWZUSBXSA-N 264.365 2.646 0 1 CFAF CCO[C@H](C)c1nc(C)c(-c2nc3ncc[nH]c-3n2)s1 587014729 PGTFAGJSNHNCEH-MRVPVSSYSA-N 289.364 2.834 0 1 CFAF CN[C@H](c1cccnc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 587225598 MFVMVLVVBCRGAS-CQSZACIVSA-N 295.390 2.959 0 1 CFAF CC(=O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604591 XEJLHQVVXHUNIN-WMLDXEAASA-N 298.294 2.702 0 1 CFAF COc1cncc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587395399 QRIZOXXXBBTROX-QGZVFWFLSA-N 298.342 2.861 0 1 CFAF Oc1cccc([C@@H](O)c2nc3cc(F)c(F)c(F)c3[nH]2)c1 586889837 HKIRLAVLKAROGU-CYBMUJFWSA-N 294.232 2.768 0 1 CFAF COC[C@@H](C)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400370 NFOOZEUKPVNVIB-MEBBXXQBSA-N 263.337 2.584 0 1 CFAF CC[C@H](C)n1cc(Cl)c(-c2nc3c[nH]c(=N)cc3[nH]2)n1 587080346 UIZHDUOUMLNNEI-ZETCQYMHSA-N 290.758 2.858 0 1 CFAF N=c1[nH]c2nc(/C=C/c3ccsc3)nc-2c(Cl)[nH]1 587024704 ARYCDYGXKKNOLN-OWOJBTEDSA-N 277.740 2.602 0 1 CFAF COc1cc2nc(C[C@H]3CCC(=O)[C@@H]3C)[nH]c2cc1F 587963745 RYULHRAQHKPGQC-RKDXNWHRSA-N 276.311 2.868 0 1 CFAF Cc1ccc(C(=O)Cc2nc3ccccc3oc2=O)cc1 13125593 UMFNWLDFPNENMU-UHFFFAOYSA-N 279.295 2.922 0 1 CFAF c1ccc(CON2CCN=C2NC2CCCCC2)cc1 13539044 SSQHAMFCNHLVJP-UHFFFAOYSA-N 273.380 2.712 0 1 CFAF CC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C 169301858 VFHWZFOARRJNNR-ZJIFWQFVSA-N 261.340 2.981 0 1 CFAF COc1ccc2c(c1OC)CC[C@H]1[C@@H]2CCCN1C 169345334 GUFINXCWNIXYJX-OCCSQVGLSA-N 261.365 2.828 0 1 CFAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccsc1 169371933 SLCCHPKEJRCPRS-XXIFFHDYSA-N 289.400 2.787 0 1 CFAF O=C(Nc1cccc(Cl)c1)Nc1nc(O)c2n1CCC2 169719164 UMSMTONOMSDWIN-UHFFFAOYSA-N 292.726 2.832 0 1 CFAF COC(=O)c1ccc(-c2nc3ccc(O)c(C=O)c3[nH]2)cc1 166325612 DSEQJBXRSFLVFF-UHFFFAOYSA-N 296.282 2.535 0 1 CFAF CN1CCP(=O)(c2ccc(C(F)(F)F)cc2)CC1 1911571180 VARORNDWIOUSHF-UHFFFAOYSA-N 277.226 2.639 0 1 CFAF COc1ccc2c(c1)C(=O)[C@H](O)[C@@H](/C=C/c1ccccc1)O2 100770640 ZUVYPUCXQZJIJC-XPAKDJPHSA-N 296.322 2.713 0 1 CFAF O=C(O)Cn1ccc(-c2ccc(Cl)cc2Cl)n1 103177042 BGKDNLOWLBQIJW-UHFFFAOYSA-N 271.103 2.942 0 1 CFAF Cc1cc(=O)n(C(=O)[C@@]2(C)C(C)(C)C2(Cl)Cl)o1 103291204 HYUXKFODPRUNKU-JTQLQIEISA-N 278.135 2.610 0 1 CFAF COc1ccc([C@@H]2COc3cc(O)cc(O)c3C2)cc1 64559090 KAZJDGJRAHFSOL-NSHDSACASA-N 272.300 2.825 0 1 CFAF CCO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1ccsc1 103348083 KLKINMKHBTXFDI-OYVNLZQHSA-N 282.390 2.944 0 1 CFAF CSc1ccc(CNC(=O)[C@]2(C)CCCN2C)cc1 61928815 FKSLNQPHKRGQCP-HNNXBMFYSA-N 278.421 2.509 0 3 CFAF C[C@@H]1CCC[C@H](n2c(=O)[nH]c3cnc4[nH]ccc4c32)C1 118039202 LNIFDZTXVLQOGK-ZJUUUORDSA-N 270.336 2.957 0 1 CFAF COc1ccc2c(c1)[C@@]13CCN(C)[C@@H](C2)[C@@H]1C[C@H](C)C(=O)C3 29216556 ZLXURWCZUPCRCD-ZQINRCPSSA-N 299.414 2.808 0 1 CFAF CC1=Nc2nn(-c3ccccc3)c(O)c2C(=O)CC1 3852418 JICAPMOETTVVBG-UHFFFAOYSA-N 255.277 2.647 0 1 CFAF biogenic Cc1ccc(S(=O)(=O)n2ncc3ccccc32)cc1 39414102 KSFOQDKEAQBKQD-UHFFFAOYSA-N 272.329 2.582 0 1 CFAF CCCc1c(Cl)c(=O)oc2cc(O)cc(O)c12 40975589 XYFYODHVUDYGIJ-UHFFFAOYSA-N 254.669 2.810 0 1 CFAF Cc1cnc(N2CCCC2)nc1NCc1ccccc1 82201818 XGPNBNNENOEWQN-UHFFFAOYSA-N 268.364 2.997 0 1 CFAF CCN(Cc1cncs1)C(=O)COc1ccc(C)cc1 143386919 RIFFNNNDTCZCCK-UHFFFAOYSA-N 290.388 2.879 0 1 CFAF CCCCc1ccc(COC(=O)[C@@H](O)CC)cc1 95571834 NLYREPAXDNNTBK-AWEZNQCLSA-N 250.338 2.843 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1oc(C)nc1C)O2 587394530 XFDVELFFYBYPCG-CYBMUJFWSA-N 272.304 2.889 0 1 CFAF COc1cccc(C)c1-c1nc2ccc(C(N)=O)cc2[nH]1 587786210 ITPCKDRYHMWVHQ-UHFFFAOYSA-N 281.315 2.646 0 1 CFAF Cc1nc(C)c(Cc2nc3ccc(O)cc3[nH]2)s1 587012089 NULVTJYPXQHQBD-UHFFFAOYSA-N 259.334 2.933 0 1 CFAF COc1cncc2nc(/C=C/c3ccccc3C(=O)O)[nH]c12 586879332 LJYUNZIPFACQRI-VOTSOKGWSA-N 295.298 2.835 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn3ccnc13)O2 587394267 SHNLWVKVKJGYDQ-HNNXBMFYSA-N 293.326 2.931 0 1 CFAF CNc1cc(Cl)ccc1-c1nc2c(N)ccnc2[nH]1 587066621 OTKGHBYSXWREEA-UHFFFAOYSA-N 273.727 2.902 0 1 CFAF OCCc1nc2ccc(OCc3ccccc3)cc2[nH]1 586894719 RYVIDKHFHUQVDA-UHFFFAOYSA-N 268.316 2.677 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nccnc1C)O2 587394461 VKUKNUIYPSBZFB-MRXNPFEDSA-N 283.331 2.556 0 1 CFAF 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CCOC(=O)[C@H](Cc1cc2c3c(cccc3n1)CC2)C(C)=O 587211015 AYBASLLEZZACBS-OAHLLOKOSA-N 297.354 2.644 0 1 CFAF Cc1ccc(Nc2ncnn3c(C)ccc23)cc1O 13581410 QFAYCQKPUDKQJB-UHFFFAOYSA-N 254.293 2.795 0 1 CFAF CC(C)=CCc1c2c3c(cccc3oc1=O)[C@H](O)CO2 14440705 BGBUBOMIMYSDPN-GFCCVEGCSA-N 272.300 2.728 0 1 CFAF O=c1[nH]c2cc(F)c(F)cc2nc1Cc1ccccc1 1859813 VWVDZHVMNRXKLW-UHFFFAOYSA-N 272.254 2.792 0 1 CFAF CCCCN1CCO[C@H]2c3cc(O)ccc3CC[C@H]21 29392420 DYJSJSUPQLMOTK-CVEARBPZSA-N 261.365 2.880 0 1 CFAF CC[C@@H](C)[C@H]1NC(=O)C(SCc2ccco2)=C1O 100603436 OHCQTMOEANZHHJ-PSASIEDQSA-N 267.350 2.827 0 1 CFAF C[C@]12Cc3ccccc3[C@@H](O)[C@H](CN1)c1ccccc12 28759783 ZGIBCONJMIEMPL-KBAYOESNSA-N 265.356 2.878 0 1 CFAF CS(=O)(=O)c1ccc(-n2ccnc2-c2ccccc2)cc1 29398104 PBEBCENHQOUFJZ-UHFFFAOYSA-N 298.367 2.943 0 1 CFAF COc1ccc(-c2cn([C@H]3CCCCC3=O)nn2)cc1 66258418 OVRCYOWTFUHSRO-AWEZNQCLSA-N 271.320 2.638 0 1 CFAF CC1=C[C@H]2C[C@H](C)[C@@]1(C)CCC1=CC(=O)N(CC(=O)O)[C@H]12 2356806947 WBAMQNTZPRODKY-BHADISHBSA-N 289.375 2.611 0 1 CFAF CC(C)NC(=N)NC(=N)Nc1ccc(C(F)(F)F)cc1 148258903 KOWVEAIKWPRJJI-UHFFFAOYSA-N 287.289 2.574 0 1 CFAF CO[C@H]1C[C@@](O)(CCc2ccccc2)C(C)(C)O1 38999339 UOFVQYXPYWRWJJ-HIFRSBDPSA-N 250.338 2.522 0 1 CFAF CC(C)CC1=NS(=O)(=O)c2cc(Cl)ccc2N1 71319422 GGAMDSBQNCMVFV-UHFFFAOYSA-N 272.757 2.899 0 1 CFAF Cc1noc2c1[C@@H](c1cccs1)SCC(=O)N2 73224408 SUGBBOZOAYFQQU-SNVBAGLBSA-N 266.347 2.819 0 1 CFAF Oc1cccc([C@@H]2NC(=S)Nc3ccc(F)cc32)c1 87722315 JITUTCSREVHKJH-ZDUSSCGKSA-N 274.320 2.921 0 1 CFAF CCc1c(C)c2cc(C(C)=O)c(OC(C)=O)cc2oc1=O 82150049 WFMWZEAJDHRKCX-UHFFFAOYSA-N 288.299 2.792 0 1 CFAF O=C(O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)NCCC1=CCCCC1 136692835 MFNHOXMUXZEVAG-GBJTYRQASA-N 289.375 2.516 0 1 CFAF CCOC(=O)c1cc(/C=C/c2cccc(N)c2)on1 45261480 KXGZAUSIBPHAJV-VOTSOKGWSA-N 258.277 2.604 0 1 CFAF O=c1nc(-c2ccc(Cl)cc2)[nH]c2ncccc12 146059269 IBDWYYCQRLVGRB-UHFFFAOYSA-N 257.680 2.639 0 1 CFAF NC(=O)[C@H]1CCCc2c(-c3ccccc3Cl)n[nH]c21 299867938 QVPCGRLERDQRCS-JTQLQIEISA-N 275.739 2.635 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nccnc1C)O2 587394460 VKUKNUIYPSBZFB-INIZCTEOSA-N 283.331 2.556 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(C)c(C)nc1C)O2 587394641 XMFZUMKTAVVEEA-OAHLLOKOSA-N 297.358 2.999 0 1 CFAF COc1cccc2nc(C[C@H](C)CCC(=O)O)[nH]c12 587962322 DOOUISLULYMLMC-SECBINFHSA-N 262.309 2.615 0 1 CFAF Nc1ccnc2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc12 586885378 BHSMJTHQIKEKJN-YVEFUNNKSA-N 276.343 2.912 0 1 CFAF Oc1nc(O)c2ccc(-c3c(F)ccc(F)c3F)nc2n1 587368364 OEMJMPKXYHVGNF-UHFFFAOYSA-N 293.204 2.520 0 1 CFAF CC(C)[C@](C)(O)c1nc2cnc3ccccc3c2[nH]1 586889277 MBKPTAABOJWXDY-HNNXBMFYSA-N 255.321 2.975 0 1 CFAF CCCn1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587430008 CQVKMKALHJFUHV-CXAGYDPISA-N 298.342 2.790 0 1 CFAF CN1C=CN(COCCCc2ccccc2)C1=CN=O 1857535980 SYVBUHCFIUTJIU-UHFFFAOYSA-N 273.336 2.877 0 1 CFAF C/C(=C/S(=O)(=O)c1ccc(C)cc1)N1CCCC1 5175799 NEJLQNPZWYVCFL-QBFSEMIESA-N 265.378 2.726 0 1 CFAF CC1=C[C@H](C)[C@]2(CO)CO[C@H](c3cccnc3)[C@H]1[C@H]2C 13142793 ZIVNUWICSJWDPM-CNLQAYEWSA-N 273.376 2.980 0 1 CFAF CCc1cc(C(C)=O)c(O)cc1OCCCCN(C)C 13650582 OCQRGXJILZIWLV-UHFFFAOYSA-N 279.380 2.878 0 1 CFAF Cn1cc([C@]2(O)C(=O)Nc3ccc(F)cc32)c2ccccc21 169303271 MKVCNEBPPOPGQD-KRWDZBQOSA-N 296.301 2.505 0 3 CFAF COc1cccc(-c2noc(C[C@@H]3CN4CCC3CC4)n2)c1 1857534771 HQFCCBJWEUXEBR-CQSZACIVSA-N 299.374 2.630 0 1 CFAF COc1ccc2cc([C@H](C)N(O)C(N)=O)ccc2c1 5267 HMGUHSNFGLXNJV-VIFPVBQESA-N 260.293 2.679 0 1 CFAF C[C@@]1(C(=O)NC2CCCCCCC2)CCC(=O)N1C1CC1 218801 CZCIPYCTXOYSOS-KRWDZBQOSA-N 292.423 2.759 0 1 CFAF O=C(N[C@H]1CN2CCC1CC2)c1cc2ccccc2s1 3816767 SSOHJAKQLOENEM-ZDUSSCGKSA-N 286.400 2.725 0 1 CFAF Fc1ccc(-n2nncc2-c2ccccn2)cc1F 26160053 RUFTWOQTVJVKHI-UHFFFAOYSA-N 258.231 2.608 0 1 CFAF CCCc1nn(C)c(N)c1C(=O)c1ccccc1Cl 29208150 ITTKTXYPXQQENB-UHFFFAOYSA-N 277.755 2.839 0 1 CFAF Cc1ccc(-n2c(O)c3ncnc-3c3cccnc32)cc1 101355185 VPMFFHPDZHBGNN-UHFFFAOYSA-N 276.299 2.934 0 1 CFAF CC1(C)Nc2ccc(Cl)cc2[C@H](N2CCCC2=O)[C@H]1O 26970310 SFGUVDVMFUAYND-UONOGXRCSA-N 294.782 2.569 0 1 CFAF O=C(OC1C[C@@H]2CC[C@H](C1)N2)c1c[nH]c2ccccc12 29064117 LCAGVMWMARLFPS-FOSCPWQOSA-N 270.332 2.608 0 1 CFAF CO[C@H]1CC(=O)CC[C@@]1(O)CC=Cc1ccccc1 2356521107 KFMVODFIRJNHQI-HOTGVXAUSA-N 260.333 2.589 0 1 CFAF Cc1ccccc1-c1ccc2c(c1)CNCc1cnnn1-2 72137653 GEJBSBRMOUJFFJ-UHFFFAOYSA-N 276.343 2.846 0 3 CFAF C/C(=C\CC[C@H](C)c1ccc(CO)cc1O)CO 34073535 VSHOGOSHSQLRLV-QNCMIEPLSA-N 250.338 2.707 0 1 CFAF CCCCC[C@]1(c2ccccc2)NC(=O)N(C)C1=O 45353566 HMGDGENDRBGMOY-OAHLLOKOSA-N 260.337 2.644 0 1 CFAF c1coc(-c2nc3[nH]ncc3cc2-c2ccncn2)c1 49047728 FUZVDFCUPYVIEA-UHFFFAOYSA-N 263.260 2.675 0 1 CFAF O=C(O)/C=C1/C(=O)N(Cc2ccccc2)c2ccc(F)cc21 49053524 XILSZEXCNYQJKB-NTEUORMPSA-N 297.285 2.841 0 1 CFAF CCOC(=O)c1c(C)noc1Nc1ccc(OC)cc1 45187322 MGEXXAISYNTJOA-UHFFFAOYSA-N 276.292 2.912 0 1 CFAF CCO[C@H](C)c1nc(C)c(-c2nc3cncnc3[nH]2)s1 587014772 QGJOCYKOGFJEHD-MRVPVSSYSA-N 289.364 2.882 0 1 CFAF COC(=O)c1ccc2nc(C3(F)CCCCC3)[nH]c2n1 587132527 RYNCOFFMRNQVNI-UHFFFAOYSA-N 277.299 2.873 0 1 CFAF Fc1cccc2c(-c3nc4nc(Cl)ncc4[nH]3)n[nH]c12 587176243 IVUWLLJPOBWFIR-UHFFFAOYSA-N 288.673 2.689 0 1 CFAF C=CC(=O)Nc1ccc(-c2nc3nc(OC)ccc3[nH]2)cc1 587243361 CUYWGHKKZNETGM-UHFFFAOYSA-N 294.314 2.758 0 1 CFAF Oc1cccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c12 586901277 GOPSAJXHGNIHIP-BXUZGUMPSA-N 266.300 2.838 0 1 CFAF COc1cc(C)ccc1-c1nc2cnc(Cl)[nH]c-2n1 587924738 DDPJFZRNXVGRSJ-UHFFFAOYSA-N 274.711 2.942 0 1 CFAF Fc1cc2[nH]c(C3=COCC3)nc2cc1-n1cccn1 586912008 BQUFOECMCMGWOT-UHFFFAOYSA-N 270.267 2.649 0 1 CFAF FC(F)(F)[C@H]1C[C@@H]1c1nc2c(S)nc(S)nc2[nH]1 587092048 AIGUJVDUTJHRKN-HRFVKAFMSA-N 292.311 2.596 0 1 CFAF Cc1cn(Cc2ccccc2)c(O)nc1=NC1CCCC1 1857574222 AYFNFTBCPCGKAY-UHFFFAOYSA-N 283.375 2.789 0 1 CFAF O=C(O)[C@H](F)S(=O)(=O)c1ccc(-c2ccccc2)cc1 3600376 KQQGUCWMLOHUTC-CYBMUJFWSA-N 294.303 2.508 0 1 CFAF Cn1cc(-c2noc(C3=CCCNC3)n2)c2ccccc21 12020 OICMLBPTTKNLQN-UHFFFAOYSA-N 280.331 2.605 0 1 CFAF COc1c([C@@H](C)N(O)C(N)=O)sc2ccccc12 114041 QCJLSLKIBCZLRS-SSDOTTSWSA-N 266.322 2.741 0 1 CFAF O=c1c2cc3c(cc2[nH]c(=S)n1C1CCCC1)OCO3 425083 XDBZJLZMJWPPQM-UHFFFAOYSA-N 290.344 2.903 0 1 CFAF COc1cc(O)c(C=O)c2c1C(=O)C[C@H](c1ccccc1)O2 2356440399 ZTVCPNXRAMDBIP-CQSZACIVSA-N 298.294 2.920 0 1 CFAF CCCCCCC1=NOC[C@]1(C)C(=O)NCCCOC 4214588 QIMJBKBBJNDWLW-HNNXBMFYSA-N 284.400 2.502 0 1 CFAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CCC[C@@]3(C)[C@@]4(C)[C@@]21O 2356362783 HLBDFWVKKWDTCV-ZFRLAYEQSA-N 264.365 2.650 0 1 CFAF OCC[C@]12N[C@@](Cl)(Cc3ccccc31)c1ccccc12 100649338 ZWRILTPIEXZOMR-IRXDYDNUSA-N 285.774 2.864 0 1 CFAF COc1cc2c(cc1OC)C(=O)[C@H](C(=O)c1ccccc1)C2 101323968 MBPDTIPFHQRJDG-AWEZNQCLSA-N 296.322 2.942 0 1 CFAF CCC[C@@H](C)c1c(O)n(CC)c(SC)nc1=O 103571459 HOUWRHZEDRXXBC-MRVPVSSYSA-N 256.371 2.594 0 1 CFAF CSN1C(=O)C[C@@H]1CC/C=C/C(=O)Nc1ccccc1 103287354 AQKUBHMNRAFRTE-PPOCWRSBSA-N 290.388 2.840 0 1 CFAF COc1cc(C(=S)NC2CCCC2)ccc1O 66136605 NKGYBBICVIDKFJ-UHFFFAOYSA-N 251.351 2.609 0 1 CFAF COC(=O)c1c2ccc(C)c3c(c-2oc1=O)[C@H](C)CC3 2356494663 LSKKAYJKKXOCKE-SECBINFHSA-N 272.300 2.889 0 1 CFAF CCC(=O)Nc1ccc2c(c1)-c1ccccc1S2(=O)=O 26180277 UVCHFTFMDYXTSH-UHFFFAOYSA-N 287.340 2.848 0 1 CFAF CC(=O)OCC=C(C)C=CC=C(C)COC(C)=O 2356601507 XRUSDDHZPSXQTK-UHFFFAOYSA-N 252.310 2.561 0 1 CFAF COc1cccc2c1O[C@H]1c3ccccc3OC(=O)[C@@H]1C2=O 2356676612 VLLJCCABEVTDGI-CJNGLKHVSA-N 296.278 2.547 0 1 CFAF COc1ccc(O)c(-c2nc3c(C(=O)O)cccc3o2)c1 2356801621 QSTDRAXWKGCQCD-UHFFFAOYSA-N 285.255 2.907 0 1 CFAF COc1cc([C@H]2CC(=O)Oc3cc(O)ccc32)ccc1O 148780550 KIMRZPTWCZEUBK-GFCCVEGCSA-N 286.283 2.547 0 1 CFAF C/C=C(/C)CN1Cc2cccc3nc(O)n(c23)C[C@H]1C 40514813 NCTNSBCKYATPMT-CSXHZRMWSA-N 271.364 2.912 0 1 CFAF Cc1ncn2c1Cn1ncnc1-c1cc(C(F)F)ccc1-2 49014164 YDFQRORJGILBAY-UHFFFAOYSA-N 287.273 2.739 0 1 CFAF COC(=O)C/C=C1/c2ccc(OC)cc2[C@H](OC)[C@@H]1C 254128331 LEYPXOBPYVCVHC-MCKDGGCWSA-N 276.332 2.979 0 1 CFAF COc1ccc(C2=C(c3ccnc(F)c3)C(=O)OC2)cc1 299819985 FPEOFNYIWFOPSJ-UHFFFAOYSA-N 285.274 2.697 0 1 CFAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3ncccc3[nH]2)cc1 587784064 DRMXJIASJDEZSI-OLZOCXBDSA-N 293.326 2.901 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)([C@@H]1CCCOC1)[C@@H](C2)C3=O 587454728 WJQQXBHIHPFNHF-ZUCKAHLUSA-N 288.343 2.628 0 1 CFAF Oc1ccccc1C1(c2nc3c(Cl)ncnc3[nH]2)CC1 586896391 DDGIRZADCZDEHC-UHFFFAOYSA-N 286.722 2.792 0 1 CFAF CC(=O)c1ccc2nc(CSc3cccc[n+]3[O-])[nH]c2c1 586968779 COMCUKDYWZJLDH-UHFFFAOYSA-N 299.355 2.691 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)C)nc1)O2 587387188 NWSYYIWAVKCBLX-HNNXBMFYSA-N 297.358 2.745 0 1 CFAF N=C(N)c1ccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2c1 587176518 OMZMPDDCOUAJMK-UHFFFAOYSA-N 294.293 2.529 0 1 CFAF COC(=O)c1cccc2nc(C[C@H]3CCC(=O)[C@@H]3C)[nH]c12 587963095 LNGTYROAGNZLHD-NXEZZACHSA-N 286.331 2.507 0 1 CFAF Cc1cc2c(cc1F)[C@H](c1cn(C)nc1C1CC1)NCC2 962089563 HIYHTTUSUWBESG-QGZVFWFLSA-N 285.366 2.980 0 1 CFAF O=C(/C=C/c1ccccc1)N1CCC=C(Cl)C1=O 1772637919 FMLIYHBTGPKFTG-CMDGGOBGSA-N 261.708 2.581 0 1 CFAF CCCSCCNCCNC(=O)/C=C/c1ccccc1 1772620543 UBEVHISYPCOBAY-CMDGGOBGSA-N 292.448 2.549 0 1 CFAF CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)nccc21 12405544 DAWSASDELFSMFB-NWDGAFQWSA-N 276.384 2.906 0 1 CFAF CCCNC(=O)Oc1ccc2c(c1)[C@H]1CCN(CC)[C@@H]1C2 13453936 GFYHFMVUVHAJDW-GDBMZVCRSA-N 288.391 2.919 0 1 CFAF CN1[C@H]2CCC[C@@H]1CC(N1CCN(c3ccccc3)C1=O)C2 13765780 ZKFXRTQPDWLBDB-SJPCQFCGSA-N 299.418 2.944 0 1 CFAF Nc1n[nH]c(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n1 164787001 FQLWXUWXYOJDKN-UHFFFAOYSA-N 294.293 2.736 0 1 CFAF Oc1nc(-c2c[nH]nc2-c2ccccc2)nc2ncccc12 1857633200 GTXYPPNSFWHUEJ-UHFFFAOYSA-N 289.298 2.788 0 1 CFAF COc1ccccc1NC(=O)[C@H]1CCCC[C@@]1(C)C(=O)O 1857771231 KHNYQPQINITBQI-BDJLRTHQSA-N 291.347 2.915 0 1 CFAF c1ccc(-c2nc3cc(-n4ccnc4)ccc3[nH]2)nc1 13651251 JEWVUZWRPYNJEE-UHFFFAOYSA-N 261.288 2.811 0 1 CFAF COc1ccc(-c2nc(CN(C)C)ccc2O)cc1 188468 MONRVBFVBCXZDA-UHFFFAOYSA-N 258.321 2.524 0 1 CFAF CN1C(=N)N=C(O)/C1=C\c1c[nH]c2ccc(Cl)cc12 53243802 YVZYBRRRXHBXKD-NYYWCZLTSA-N 274.711 2.999 0 1 CFAF COC(=O)[C@H]1[C@H](CCc2ccccc2)C[C@H]2CC[C@H]1N2C 101114860 VYZGOBOLWNADBI-VQHPVUNQSA-N 287.403 2.891 0 1 CFAF CCC(=O)c1c2c(c(C)[nH]c1=O)C[C@@H](c1ccncc1)CC2 27181235 WJTKPBYVJSJXJO-ZDUSSCGKSA-N 296.370 2.944 0 1 CFAF CCc1ccc(Cc2cnc(N)nc2N)cc1C(C)C 26157414 GWBRWFAQHGJNAN-UHFFFAOYSA-N 270.380 2.918 0 1 CFAF CC(=O)c1ccc(Cc2c(O)n[nH]c2C(F)(F)F)cc1 27306739 HVVKYEIBUAWZPJ-UHFFFAOYSA-N 284.237 2.928 0 1 CFAF O=C(Nc1ccccc1)Nc1ccc(NC2=NCCN2)cc1 29133627 KVRPDWWWDJAXGD-UHFFFAOYSA-N 295.346 2.702 0 1 CFAF CCC[C@H](COC)NC(=O)c1cc2cc(OC)ccc2o1 114431358 PWUDUVCAKCZJRX-GFCCVEGCSA-N 291.347 2.986 0 1 CFAF CO[C@@](C)(C=C[C@H](O)C(C)C)C1CCC(C)(NC=O)CC1 2356677629 GWYOMVLIZRMWIS-XGHPGWEVSA-N 297.439 2.660 0 1 CFAF CN(C)c1ncnc2[nH]cc(-c3cccc(C#N)c3F)c12 210724059 JQMHPASIGUDQDB-UHFFFAOYSA-N 281.294 2.702 0 1 CFAF CC(C)Nc1nccc(-c2c[nH]nc2[C@H]2CCCCO2)n1 40940057 KERUCRORJGZBIT-CYBMUJFWSA-N 287.367 2.929 0 1 CFAF Cc1cc(Nc2ccc3ncccc3c2)n2ncnc2n1 40379286 LLCARJRNBARSBG-UHFFFAOYSA-N 276.303 2.725 0 1 CFAF CC(C)COC(=O)Nc1cc2ccccc2oc1=O 96906393 WJDOZVLLYHCHJG-UHFFFAOYSA-N 261.277 2.998 0 1 CFAF O=C(c1ccc(O)cc1)[C@@H](O)CCCc1ccccc1 238781821 DPMDROACJHIXPQ-INIZCTEOSA-N 270.328 2.959 0 1 CFAF Cc1cccc(NC(=O)c2nccc3cc[nH]c23)n1 95572487 KRBOFRLDKXUXMG-UHFFFAOYSA-N 252.277 2.519 0 1 CFAF CCCn1cc(-c2ccc3[nH]c(=N)sc3c2)cn1 473091935 RLGMWPYMTNPSRN-UHFFFAOYSA-N 258.350 2.982 0 1 CFAF CO[P@@]1(=O)OCCC(C(=O)OC(C)(C)C)=C(C)O1 653765523 IEEPPPIAKVRUBJ-SFHVURJKSA-N 278.241 2.794 0 1 CFAF Cc1cncc2nc(CCC(=O)c3ccc(N)cc3)[nH]c12 587252082 VOHLJWADTSRVGR-UHFFFAOYSA-N 280.331 2.664 0 1 CFAF COC(=O)Cc1ccccc1-c1nc2ccccc2[nH]1 587782910 ACYNZRLQHAGHQN-UHFFFAOYSA-N 266.300 2.945 0 1 CFAF O=C1CCC(c2ccccc2)(c2nc3cnncc3[nH]2)CC1 586877839 RQXWBSLXTQRRTP-UHFFFAOYSA-N 292.342 2.782 0 1 CFAF Brc1ccc2nc(CCOCC3CC3)[nH]c2n1 587783499 BQMOZAHUFRHQFA-UHFFFAOYSA-N 296.168 2.690 0 1 CFAF CCCc1c(O)ccc2c1O[C@]1(CCO[C@@H]1C)CC2=O 587493709 VCWSOWLVSSUIKP-QLJPJBMISA-N 276.332 2.858 0 1 CFAF OCc1ccc(-c2nc3cnc(Cl)cc3[nH]2)cc1 586895435 GXQYQVBNDCBDKW-UHFFFAOYSA-N 259.696 2.771 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H](C(=O)O)C1)O2 587402709 BLCKSJFJTNXNAP-MGPLVRAMSA-N 289.331 2.556 0 1 CFAF C[C@@]12CCCCC[C@@H](Cc3ccc(C(N)=O)cc31)[C@@H]2N 1772629229 RCBJWIIGHMFUGM-YLQAJVPDSA-N 272.392 2.507 0 1 CFAF CCOC(=O)[C@@]1(Cc2ccccc2)CCCCCN1 5811400 ARFWYGBVJQPYOZ-INIZCTEOSA-N 261.365 2.695 0 1 CFAF CSc1nc(-c2ccc(C)cc2)nn1C(=O)N(C)C 13533066 BTBHHMNHCCVBKZ-UHFFFAOYSA-N 276.365 2.505 0 1 CFAF C[S@@](=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1 4185068 STRRINIZRMCRFX-IBGZPJMESA-N 286.278 2.900 0 1 CFAF Cc1csc2nc(CNC(=O)C3CCCCC3)cn12 6531129 PCWGEJHYUMRNAI-UHFFFAOYSA-N 277.393 2.901 0 3 CFAF aggregator O=C(O)c1c(O)cccc1C=Cc1ccc(O)cc1 2356485842 UWXXIBUTKVUHTR-UHFFFAOYSA-N 256.257 2.966 0 1 CFAF Fc1ncc([C@H]2C[C@@H]3CC[C@@H]2N3)cc1Br 100048019 HREHVDXXFVARNZ-XKSSXDPKSA-N 271.133 2.591 0 1 CFAF COc1cccc(N(CCNC(C)=O)Cc2ccccc2)c1 28864638 TXTFXHICUOUBQO-UHFFFAOYSA-N 298.386 2.838 0 1 CFAF CN(C)C[C@@H]1C[C@H]2c3ccccc3Cc3ccncc3N2O1 27182053 QQWLSTBNUSPPGV-RDJZCZTQSA-N 295.386 2.799 0 1 CFAF Cc1cccc(Oc2nn3c(N)nnc3c3ccccc23)c1 64437229 KYRSBDIOWTVNJL-UHFFFAOYSA-N 291.314 2.960 0 1 CFAF CCN[C@H]1CCC[C@H](Oc2ccc3c(=O)[nH]ccc3c2)C1 66079692 FEJUGHZVLDTRTJ-KBPBESRZSA-N 286.375 2.828 0 1 CFAF COC(=O)C(C)=C[C@H](C)C[C@H](C)C[C@](C)(O)C[C@H](C)O 2356729776 IQQFJADQXWBZGX-DSPQJCBJSA-N 286.412 2.680 0 1 CFAF CO[C@@H]1C[C@](O)(CCc2ccccc2)C(C)(C)O1 38999343 UOFVQYXPYWRWJJ-DZGCQCFKSA-N 250.338 2.522 0 1 CFAF CCOC(=O)c1nc2sc(C(C)C)cc2c(=O)o1 39240736 PFROOWCYRQFRQO-UHFFFAOYSA-N 267.306 2.550 0 1 CFAF CC1(C)C[C@H]2[C@@H](C1)[C@@H](O)c1cocc1C[C@]2(C)O 35465414 CJMRDWKLOVHYSM-ZRQNBYAXSA-N 250.338 2.673 0 1 CFAF C[C@@H]1CCCN(c2nc(N)nc3[nH]c4ccc(O)cc4c23)C1 221385515 ZLKGWCVIBPNMAJ-SECBINFHSA-N 297.362 2.635 0 1 CFAF CCOc1ccc2c(c1)C(=O)c1cc(OCCO)ccc1-2 96927397 JZFURFNDVHDSGK-UHFFFAOYSA-N 284.311 2.668 0 1 CFAF NC1=N[C@@H](CCc2cccc(Cl)c2Cl)CO1 149216260 MFBOULHTLIYQJW-QMMMGPOBSA-N 259.136 2.640 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C3CC3)nn1C)O2 587390831 JIWACRRMFONUCS-INIZCTEOSA-N 297.358 2.895 0 1 CFAF CC[C@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586893222 WZENYGPBAVTSTJ-ANRSDYALSA-N 271.320 2.797 0 1 CFAF O=C(O)c1ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2c1 586905016 XEGPUGRXWNAXAF-WFASDCNBSA-N 294.310 2.830 0 1 CFAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1O 587400701 SEQXKTZWIBQIEK-INIZCTEOSA-N 299.326 2.998 0 1 CFAF CC[C@@H]1CCC(=O)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587446158 AHBBVNKCDOMHQC-HSOHIQCKSA-N 286.327 2.571 0 1 CFAF COC(=O)c1ccc2nc([C@H]3CCCC(=O)CC3)[nH]c2c1 586885607 NARIHPHMBXSKER-JTQLQIEISA-N 286.331 2.966 0 1 CFAF CC(C)Cc1cc(C(F)(F)F)ccc1S(N)(=O)=O 12472675 XWVQJLYLUQCYJH-UHFFFAOYSA-N 281.299 2.551 0 3 CFAF COc1cc(CCc2ccccc2O)cc(O)c1OC 14505325 UKTGWJQYLXXLOG-UHFFFAOYSA-N 274.316 2.900 0 1 CFAF biogenic,in-vitro CC(C)CC(=O)C[C@@]1(C)CC[C@@H]([C@@H](C)CCO)O1 14556679 NQUGBBCWSQRMST-AEGPPILISA-N 256.386 2.948 0 1 CFAF endogenous,in-man c1cc(-c2nnc3sc(-c4ccoc4)nn23)ccn1 169307930 ZHSPLPCMTHYDMP-UHFFFAOYSA-N 269.289 2.508 0 1 CFAF CCOC(=O)c1c(C)oc2ncc(N3CC[C@@H](F)C3)cc12 1857611709 SRHOLWGVIJSSPQ-SNVBAGLBSA-N 292.310 2.861 0 1 CFAF COc1ccc2c(c1)[C@@](CN(C)C)(C1(O)CCCCC1)C2 3981445 UBIQMAFTTDZGEX-QGZVFWFLSA-N 289.419 2.746 0 1 CFAF CCCNc1nccc2c1nnn2Cc1ccccc1F 27405841 USQYTYRQRBTIJD-UHFFFAOYSA-N 285.326 2.836 0 1 CFAF Nc1ccc(N2CCCC2)cc1NC(=O)c1cccnc1 29127379 UTCLRIOLKBZVAT-UHFFFAOYSA-N 282.347 2.516 0 1 CFAF Cc1ccc(O)c(Cn2cnc3c(C)cccc32)n1 28710447 KQTRZYZJVOQNPS-UHFFFAOYSA-N 253.305 2.802 0 1 CFAF N=c1oc2c(O)cccc2cc1C(=O)Nc1ccc(O)cc1 26497986 GGJRAJIZGYKQIL-UHFFFAOYSA-N 296.282 2.576 0 1 CFAF CCc1cc2c(ccc3c(OC)nn(C[C@H](C)N)c32)o1 29125293 JWIYKFPMGLQWIQ-VIFPVBQESA-N 273.336 2.701 0 1 CFAF CCOC(=O)c1cc2c3ccccc3nc-2cn1C 32265870 RZQHJKKPTIMLFO-UHFFFAOYSA-N 254.289 2.855 0 1 CFAF CCCN1C[C@@H](CSC)C[C@H]2Cc3n[nH]cc3C[C@H]21 40801046 ASXNINCAPWBRJS-SLEUVZQESA-N 279.453 2.588 0 1 CFAF c1cc(CCNc2nccc(-c3ccncc3)n2)ccn1 45347949 PYBZTMBNZYHZFE-UHFFFAOYSA-N 277.331 2.588 0 1 CFAF Nc1nc(N)c2ccc(Oc3ccccc3)cc2n1 84706892 IRZAIAICWOAJIT-UHFFFAOYSA-N 252.277 2.587 0 1 CFAF CC(=O)Oc1ccccc1C(=O)Oc1cncc(Cl)c1 40394484 QZWIYWHQEBDPOP-UHFFFAOYSA-N 291.690 2.880 0 1 CFAF C[C@H]1C(=O)Nc2cc3nc(-c4ccncc4)[nH]c3cc21 84367276 WNJXXQIXODDELT-MRVPVSSYSA-N 264.288 2.681 0 1 CFAF CC(=O)OC/C(C)=C/Cc1cc2ccc(=O)oc2cc1O 238769927 ILRQFFUQLPOVNR-XCVCLJGOSA-N 288.299 2.551 0 1 CFAF COCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCCCN2)c1 96915340 ZIDHIKYJOTYIQX-QRTARXTBSA-N 290.407 2.743 0 1 CFAF COc1cc2nc(=S)n(C3CC3)c(O)c2cc1OC 253496651 JGJPNEXEIVYCRP-UHFFFAOYSA-N 278.333 2.823 0 3 CFAF CC(=O)OC[C@@](C)(O)[C@H]1/C=C/[C@](C)(O)CCC=C(C)CC1 261498157 RTFVWCRRSNVOBR-UTTVDXPOSA-N 296.407 2.744 0 1 CFAF endogenous,in-man C[C@H](Sc1ncccn1)c1nc2ccc(O)cc2[nH]1 586964227 ZKRBXHCOBIAVCT-QMMMGPOBSA-N 272.333 2.912 0 1 CFAF CCCc1c(O)ccc2c1O[C@](CC)(C(=O)O)CC2=O 587478693 BKKFWDVXDVKUKL-HNNXBMFYSA-N 278.304 2.543 0 1 CFAF Oc1nncc2nc(-c3coc4cc(F)ccc34)[nH]c12 587173918 CYBGTLAFOQWCAT-UHFFFAOYSA-N 270.223 2.611 0 1 CFAF COc1cncc2nc([C@@H](C)Sc3ncccn3)[nH]c12 586963549 MPVQWRLWKJTZMN-MRVPVSSYSA-N 287.348 2.610 0 1 CFAF OC1(c2nc3cc(Cl)cc(Cl)c3[nH]2)CCOCC1 586912137 AGQNNQRBYWVXNL-UHFFFAOYSA-N 287.146 2.868 0 1 CFAF O=C1CC2(CC(C(=O)O)C2)Oc2c1ccc1c2CCCC1 587529337 OAUUBDAXELFVDB-UHFFFAOYSA-N 286.327 2.764 0 1 CFAF CCCc1c(O)ccc2c1O[C@](C)(C(C)=O)CC2=O 587479245 CQLXJWHPLNJWTL-HNNXBMFYSA-N 262.305 2.658 0 1 CFAF COc1ccc2c(c1)C[C@@H](c1nc3cc(=N)[nH]cc3[nH]1)CC2 587945541 GBWBGBQLOFISED-NSHDSACASA-N 294.358 2.652 0 1 CFAF CCC[C@H](c1nc2cccc(S(N)(=O)=O)c2[nH]1)C(C)C 587955126 GHWJSJYPAKVJDD-JTQLQIEISA-N 295.408 2.750 0 1 CFAF Cc1cccc(OCc2nc3ncc[nH]c-3n2)c1C 587564783 YAOSOSIWYRLPHR-UHFFFAOYSA-N 254.293 2.500 0 1 CFAF O[C@@]1(c2ccccc2)c2ccccc2C2=NCCCCN21 13760576 GJJALNSUHRUMFW-SFHVURJKSA-N 278.355 2.736 0 1 CFAF C[C@H](CCN(C)C)Nc1cc(O)cc2cccnc12 148 BSFODEXXVBBYOC-LLVKDONJSA-N 259.353 2.693 0 1 CFAF O=C(O)c1ccccc1C[C@H]1Cc2ccccc2C1=O 1646159 GTRFHPLFAYPTSD-CYBMUJFWSA-N 266.296 2.983 0 1 CFAF CC(=O)O[C@@H]1CC(C)=CCCC(C(=O)O)=C[C@@H]2C[C@H]21 2356476479 JVAVVXRDSNKYPD-MGPQQGTHSA-N 264.321 2.695 0 1 CFAF COC(=O)[C@]1(C)CCC[C@]2(C)C3=C(CC[C@@H]21)COC3=O 2356374644 AWWBFEOENJFBHI-KNXALSJPSA-N 278.348 2.619 0 1 CFAF Cn1c(-c2ccccc2)cs/c1=N/C(=O)c1cccnc1 103084251 OIWJAQKYEOYIIT-FBMGVBCBSA-N 295.367 2.890 0 1 CFAF C[C@H](O)[C@@H]1C[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN(C2)[C@H]31 101542079 TVPHSOXWTLOHCG-CCISYGEFSA-N 296.414 2.899 0 1 CFAF CCSc1cc2c(cc1F)CCN2C[C@H](C)N 26474521 KAWSTPLVSKOAGD-VIFPVBQESA-N 254.374 2.647 0 1 CFAF CC(C)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H]1O[C@@H]2CC[C@H]1C(=O)O 2356332207 AXMBGSMQXLXOCB-FSTWUICMSA-N 252.354 2.937 0 1 CFAF Cc1c(F)c(F)c(C(=O)NCC(C)C)c(F)c1F 114430722 GKQILTTXOHAATM-UHFFFAOYSA-N 263.234 2.937 0 1 CFAF CCCCCCOc1nsnc1[C@@H]1CN2CC[C@H]1C2 26737213 QPDGXKXJLDKIHO-NWDGAFQWSA-N 281.425 2.916 0 1 CFAF CC1=C2C=C[CH]N2C=CN1CC(=O)c1ccccc1 2356862697 FWSWRFXBBLLXID-UHFFFAOYSA-N 251.309 2.921 0 1 CFAF C=CC1=C([C@@H]2COC(=O)[C@@H]2CC(=O)O)CC(C)(C)C1 2356862970 VCZFVDKNJCQIKO-ZYHUDNBSSA-N 264.321 2.553 0 1 CFAF O=C(O)c1cc(Cc2ccccc2)c2ccccn2c1=O 34328533 LFOTZNLDSBVCJH-UHFFFAOYSA-N 279.295 2.589 0 1 CFAF Cc1cc(N(O)[C@@H]2C=C[C@@H](OC(C)(C)C)C2)no1 73157681 CAYUBHFKPQIVSZ-GHMZBOCLSA-N 252.314 2.691 0 1 CFAF COC(=O)C/C=C1\c2ccc(OC)cc2[C@H](OC)[C@H]1C 72139501 LEYPXOBPYVCVHC-YPVQPBCVSA-N 276.332 2.979 0 1 CFAF CN1C[C@@]2(C)OC(=O)C(Cl)=C2C[C@H]1c1ccccc1 34145077 ZLCXKDYXSQYNRL-SWLSCSKDSA-N 277.751 2.872 0 3 CFAF Cc1cnc(N2CCCC2)nc1NCCNc1ccccc1 82212841 ZTVVPQWEKVASBZ-UHFFFAOYSA-N 297.406 2.909 0 1 CFAF C[C@H]1CC2=CCC[C@@H]3N4C(=O)CCC[C@@H]4C[C@@H](C1)N23 238766638 ZDFSDFBEUFWCSH-MYPMTAMASA-N 260.381 2.876 0 1 CFAF Cc1ccc(NC(=O)NOCCCCCC(=O)O)cc1 95595507 XRUXDVFBCIDXOY-UHFFFAOYSA-N 280.324 2.693 0 1 CFAF CC(=O)[C@@H]1[C@H](c2ccccc2)[C@H]2C(C)=NN=C2C[C@@]1(C)O 299887833 ZNLUTICYKJBZGH-YLFCFFPRSA-N 284.359 2.577 0 1 CFAF NC1CCC(c2nc3cc(Cl)ncc3[nH]2)CC1 587256905 URLRPYIHDCRZDM-UHFFFAOYSA-N 250.733 2.596 0 1 CFAF N=c1[nH]cc2nc(C3(Cc4ccc(Cl)cc4)CC3)nc-2[nH]1 587073720 LUASLFWFIDHSJJ-UHFFFAOYSA-N 299.765 2.645 0 1 CFAF CNc1ncccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432300 KMKJHRLBKKOOJU-MLGOLLRUSA-N 296.326 2.621 0 1 CFAF Cc1cnc2[nH]c([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc2c1 586884442 IFRNURXVLVHPEZ-GRYCIOLGSA-N 267.332 2.905 0 1 CFAF Oc1nc(O)c2ccc(-c3ccc(F)c(Cl)c3)nc2n1 587368992 ZEQGMWJDXGFWQJ-UHFFFAOYSA-N 291.669 2.896 0 1 CFAF COc1ccc2nc(-c3cc(N)c(N)cc3F)[nH]c2c1 587136345 DRSWRLXXXPHPKU-UHFFFAOYSA-N 272.283 2.542 0 1 CFAF C=C(NC(C)=O)c1nc2ccc(F)c(Br)c2[nH]1 587204561 WRFPJJIQTOVXDM-UHFFFAOYSA-N 298.115 2.571 0 1 CFAF CCCNC(=O)Oc1ccc2c(c1)[C@@H]1CCN(CC)[C@H]1C2 13453932 GFYHFMVUVHAJDW-HOCLYGCPSA-N 288.391 2.919 0 1 CFAF Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(O)cc32)[nH]1 13671629 GUXYHZUGDWFOBA-GHXNOFRVSA-N 254.289 2.830 0 1 CFAF in-vivo CN1CCc2ccccc2Cc2ccn(C)c2CC1 13679809 KUEQQBRCJDOEEZ-UHFFFAOYSA-N 254.377 2.646 0 1 CFAF CC[C@H]1O[C@H](C2CC2)CC2=C1C(=O)OC(C)(C)O2 169303842 HHUWMKCWBYBJLX-ZJUUUORDSA-N 252.310 2.528 0 3 CFAF c1ccc2[nH]c(CNCC[C@@H]3C[C@H]3c3cnc[nH]3)nc2c1 1857620212 HZJHXNKBUJZZBB-VXGBXAGGSA-N 281.363 2.569 0 1 CFAF COC(=O)[C@@H]1CCC(=O)N1c1ccc(Cl)cc1Cl 11726883 IWZOOOCJSVBNRN-JTQLQIEISA-N 288.130 2.662 0 1 CFAF CCOc1ccc2ccccc2c1CCNC(C)=O 13761215 UDGNTAHSTLLJIO-UHFFFAOYSA-N 257.333 2.917 0 1 CFAF C[C@@H]1SC2=NCN(c3cccc4ccccc34)CN2C1=O 2471515 OVQDICPNEFUTQK-NSHDSACASA-N 297.383 2.895 0 1 CFAF O=S1(=O)NC(CCc2ccccc2)=Cc2ccccc21 1911584054 RVALXRJVVQCFBY-UHFFFAOYSA-N 285.368 2.952 0 1 CFAF COc1cc(O)c2c(c1)NC[C@H](c1ccccc1)C2=O 103229458 ATKOQEFCQQTVQQ-GFCCVEGCSA-N 269.300 2.793 0 1 CFAF CC1=C[C@H]2Cc3nc(O)ccc3[C@](N)(C1)/C2=C/C(F)(F)F 101260881 OPWXEMFYURUFIN-AZEIREFISA-N 296.292 2.952 0 1 CFAF CC(=O)NCC1CCN(CCc2c[nH]c3ccccc23)CC1 27989114 JBPWOSKOQRFTRY-UHFFFAOYSA-N 299.418 2.559 0 1 CFAF CCNC=C1N=C(c2ccc(Br)[nH]2)C=C1OC 2356649279 HGYCGMMTEYWTCE-UHFFFAOYSA-N 296.168 2.561 0 1 CFAF COc1ccc2c(c1)C(=O)C(c1ccc(N(C)C)cc1)=[N+]2[O-] 45259389 JQAUFPPUDCBLRA-UHFFFAOYSA-N 296.326 2.589 0 1 CFAF Cc1ccc(O)c(-n2cc(C(=O)c3ccccc3)nn2)c1 220580894 WCWGFEJSQZBIAI-UHFFFAOYSA-N 279.299 2.512 0 1 CFAF O=C1c2cccc(O)c2-c2c3c(cc4c2[C@@H]1NC=C4)OCO3 238762009 WBOZCDFVUNJSQR-HNNXBMFYSA-N 293.278 2.599 0 1 CFAF COc1ccc2c(c1)C[C@H](c1nc3c(N)ccnc3[nH]1)CC2 587947062 RFQPDEBEPJJQTB-LLVKDONJSA-N 294.358 2.821 0 1 CFAF Nc1ccc(/C=C/c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 587251668 KRFXDQZJPZFYLF-ZZXKWVIFSA-N 291.314 2.897 0 1 CFAF CCc1ccccc1NC(=O)c1nc2cc(N)c(N)cc2[nH]1 587240636 HAYMWDSBBHURAO-UHFFFAOYSA-N 295.346 2.542 0 1 CFAF Nc1ccc(-c2ccc3nc([C@@H]4CCOC4)[nH]c3c2)cc1N 586912419 RQUQBMCBKJPGIW-GFCCVEGCSA-N 294.358 2.898 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CSC[C@H]1C)O2 587412445 CLNUWDNNTCOXRW-OTYXRUKQSA-N 263.362 2.664 0 1 CFAF CNc1c(F)cccc1-c1nc2ccc(C(N)=O)cc2[nH]1 587136380 ZFZMTDJLFKBBTN-UHFFFAOYSA-N 284.294 2.510 0 1 CFAF CCCc1c(O)ccc2c1O[C@@](CC)(C(=O)OC)CC2=O 587476373 CDGXNUISTYQMPT-MRXNPFEDSA-N 292.331 2.632 0 1 CFAF O=C1c2ccoc2CC[C@H]1Cc1nc2cccc(O)c2[nH]1 586909639 ZPMPDZURMLWBJM-VIFPVBQESA-N 282.299 2.849 0 1 CFAF Cc1cc2nc(Cc3cccnc3N)[nH]c2cc1C 587253435 IGZCPLALDDABKJ-UHFFFAOYSA-N 252.321 2.748 0 1 CFAF O=C(O)c1csc(-n2nc(C3CCCCC3)cc2O)n1 1772580546 OIFNECWOKOHZST-UHFFFAOYSA-N 293.348 2.780 0 1 CFAF Nc1nc(N)c2c(COc3cccc(F)c3)cccc2n1 1772642907 PAABIAMEWAOKNM-UHFFFAOYSA-N 284.294 2.512 0 1 CFAF Cc1nc2ccccc2c(=O)n1-c1n[nH]c2ccccc12 5544274 XSLMBPYRCMMILT-UHFFFAOYSA-N 276.299 2.570 0 1 CFAF CCCN1CCC(=O)N(CCSc2ccccc2)CC1 12474522 DIOITLFDVKVQJS-UHFFFAOYSA-N 292.448 2.723 0 3 CFAF O=C(NCc1ccc(Cl)cc1)OCCCc1c[nH]cn1 13747079 BTKLXRSAYGFGAD-UHFFFAOYSA-N 293.754 2.922 0 1 CFAF C=Cc1ccc(OC(=O)c2ccc(O)c(N)c2)cc1 14829604 RWDKQKLCXJVELF-UHFFFAOYSA-N 255.273 2.837 0 1 CFAF in-vitro CCOC(=O)[C@@H](Cc1ccccc1)C(=O)c1ccco1 15780224 PYUKOVBHVIMAJY-ZDUSSCGKSA-N 272.300 2.884 0 3 CFAF O=C1OC[C@@H]2[C@H]1[C@@H]1c3ccccc3[C@@H](O)c3ccccc3[C@@H]21 17191364 KAFDISJYHBMFEQ-JCECYMMASA-N 292.334 2.752 0 1 CFAF c1ccc(CCN[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@@H]6C[C@H]([C@H]25)[C@@H]3[C@@H]46)cc1 169300511 KBAKPEFQDPCCTP-PLQVUKJCSA-N 265.400 2.965 0 1 CFAF Nc1nc(Nc2ccc(Cl)cc2)c2ccnc(O)c2n1 169327228 BSZDCBJQBNDYCZ-UHFFFAOYSA-N 287.710 2.710 0 1 CFAF CC(=O)Oc1ccc2c(c1)[C@@]1(C)CCN(C)[C@@H](C2)[C@@H]1C 169342287 QYDQZSAKACVNNF-GOPGUHFVSA-N 273.376 2.766 0 1 CFAF CN1CC[C@]23c4cc5c(cc4[C@@H]4C[C@H]2[C@H](CC[C@H]13)O4)OCO5 1857552104 DJCFKRHJNZGQQC-LYHUEXMXSA-N 299.370 2.611 0 1 CFAF CN1CC[C@@H]2[C@H](CCC[C@@H]2NC(=O)c2ccc(F)cc2)C1 1841641 ZXUXBBXHJDRZIY-BMFZPTHFSA-N 290.382 2.676 0 1 CFAF OC1=Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)cc1 2356388493 HKUHOPQRJKPJCJ-HNNXBMFYSA-N 272.256 2.836 0 1 CFAF c1cncc(CNc2ccnc(-c3cccnc3)n2)c1 4258435 ZPDQUYSJQXIOAP-UHFFFAOYSA-N 263.304 2.546 0 1 CFAF C[C@@](F)(c1ccc(C(F)(F)F)nc1)[S@@](C)(=O)=NC#N 103192947 GCBMZCYVHXHTIQ-ZRNGKTOUSA-N 295.261 2.821 0 1 CFAF CCc1ccc([C@H]2C[C@H]3CC[C@H](N3)[C@@H]2C(=O)OC)cc1 28228254 VQVUZWDWIQWSQU-LVQVYYBASA-N 273.376 2.646 0 1 CFAF C[C@@H]1N(C)C(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 53243958 KHVUFWSEOLNUFN-IINYFYTJSA-N 269.772 2.614 0 1 CFAF c1ccc(Nc2ccc(NC3=NCCN3)cc2)cc1 29133736 FRQGDZPERKMXNA-UHFFFAOYSA-N 252.321 2.801 0 1 CFAF CN1CCN([C@H](Cc2cccc(O)c2)c2ccccc2)CC1 29478900 SNEATSWSSQYWFG-LJQANCHMSA-N 296.414 2.923 0 1 CFAF Cc1cc(C)n(-c2ccc(-c3ccccc3)nn2)n1 32917186 BAAIMUNDXAWEBW-UHFFFAOYSA-N 250.305 2.946 0 1 CFAF CCCN1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 35823562 FCQOLBPVQGCNCP-OBYDGYHJSA-N 290.451 2.802 0 1 CFAF CCC(CC)NC(=O)c1nc(-c2ccccc2)cnc1N 473105305 RXSYHZDKVYLRPZ-UHFFFAOYSA-N 284.363 2.644 0 1 CFAF O=c1c2ccc(O)cc2ccn1Cc1ccccc1 653771317 HJFJDQDQTSPUQO-UHFFFAOYSA-N 251.285 2.755 0 1 CFAF CC(=O)c1ccc2nc([C@H]3CC(=O)OC3(C)C)[nH]c2c1 586906818 FHKMACXIQSBYGM-SNVBAGLBSA-N 272.304 2.575 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(N)c1)[C@@H](C2)C3=O 587424890 XGGZKAAIQNYVKZ-GTNSWQLSSA-N 299.301 2.905 0 1 CFAF CCC[C@@]1(C(C)=O)CC(=O)c2cc(C)cc(N)c2O1 587403234 LGOAVTAKEVYVKY-HNNXBMFYSA-N 261.321 2.670 0 1 CFAF CC[C@]1(C(F)(F)F)N[C@H](C(=O)O)Cc2cc(F)ccc21 962894340 ISWZIPRQPFLYKH-JQWIXIFHSA-N 291.244 2.592 0 1 CFAF CC[C@@H](C)SC(=S)NCC/C=C/[S@@](C)=O 1857775265 LLTWYYHQGIWCHB-IQNILXBSSA-N 265.469 2.675 0 1 CFAF NC1=NC[C@@H](Cc2ccc(O)cc2)N1CC1CCCCC1 13662120 WTCMRVJPJMILSH-OAHLLOKOSA-N 287.407 2.514 0 3 CFAF CN1CCCN(c2nc3cc(Cl)ccc3o2)CC1 13780594 FRAOQOYOEZWXQL-UHFFFAOYSA-N 265.744 2.623 0 1 CFAF CC(C)(C)N=c1cc(-c2cc[nH]c(=N)c2)[nH]c2cnccc12 1857566978 MSOWGEIBKHPZIO-UHFFFAOYSA-N 293.374 2.737 0 1 CFAF CC[C@H](C)[C@@H]1[C@H](C)[N@@]1S(=O)(=O)c1ccc(C)cc1 2356320476 KOUBNLRNADVRIY-DDHJSBNISA-N 267.394 2.803 0 1 CFAF O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc(Cl)s1 3964500 VEZBOQCTMXVJAG-CYBMUJFWSA-N 298.795 2.823 0 1 CFAF COc1cc(NC(=O)[C@@H]2Cc3ccccc3N2)cc(OC)c1 58511552 ATYYWTXMLJOVIK-INIZCTEOSA-N 298.342 2.679 0 1 CFAF Cc1cccc([C@H]2N(c3ccccn3)C(=O)[C@H]3CCCN32)c1 58046624 MCYHUQWAHYKGDU-NVXWUHKLSA-N 293.370 2.900 0 1 CFAF Nc1ncc([C@H]2C[C@@H]3CC[C@@H]2N3)cc1-c1ccccc1 100045085 ABSIBSJUOJFQHU-LZWOXQAQSA-N 265.360 2.939 0 1 CFAF Oc1ccc(C2=NO[C@@H](c3ccccc3)C2)c(O)c1 103275753 UEVRIBHIYGXFKI-OAHLLOKOSA-N 255.273 2.964 0 1 CFAF CO[C@@H]1[C@H]2CCN(CC3CC3)[C@@H]1Cc1ccc(O)cc12 29401110 IUFBNRYLSSEFPR-USXIJHARSA-N 273.376 2.531 0 1 CFAF O=C(O)c1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O 26393281 XMFMMHVVGNBJCW-XJKSGUPXSA-N 284.311 2.670 0 1 CFAF CC(C)OC(=O)/C=C/c1coc2ccccc2c1=O 28821040 NEEBAIUDRMDTRS-BQYQJAHWSA-N 258.273 2.758 0 1 CFAF CCC(=O)N(c1ccccc1)[C@H]1CCC[C@H]1N(C)C 28236432 NFXVAHYPHHWBBD-CABCVRRESA-N 260.381 2.912 0 1 CFAF Nc1cc([C@H]2CCCNC2)nc2c(-c3cccs3)cnn12 60327539 WFRTXTYEVNAMFV-JTQLQIEISA-N 299.403 2.507 0 1 CFAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2O 34801420 DOFRSNSWULWZJS-OGRPFDLYSA-N 289.419 2.645 0 1 CFAF O=C(CCCC1=CCc2ccccc21)N1CCOCC1 45389537 UPWQQAAPNFRFEG-UHFFFAOYSA-N 271.360 2.655 0 1 CFAF Cc1cc(C)c2c(=O)[nH]c(-c3cccs3)nc2n1 40406689 BDJNYOGFLGSCIE-UHFFFAOYSA-N 257.318 2.663 0 1 CFAF CC(=O)O[C@H]1C[C@]2(C)OC(C)(C)[C@H]1C[C@H]1[C@H]2[C@H](O)C[C@H]1C 238775700 XCGZLOPHNCJNRF-OXCLCMQMSA-N 296.407 2.529 0 1 CFAF C/C1=C/CC(=O)[C@H](C)C[C@@H]2OC(=O)[C@@H](C)[C@H]2CC1 257465010 KLZWSNKEPLKAOS-HTAOQYNFSA-N 250.338 2.890 0 1 CFAF endogenous,in-man CC(/C=C\C(N)=O)=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1 377815828 PCIMEOIYJHGTNG-CTLBZOIFSA-N 286.375 2.559 0 1 CFAF O=C1CSc2ccc(-c3nc4cccnc4[nH]3)cc2N1 587044420 WFWXAZXXOHSXQN-UHFFFAOYSA-N 282.328 2.669 0 1 CFAF C[C@H]1CNCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527723 WDVDRXZIATZADT-KPZWWZAWSA-N 285.387 2.899 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN3CCC[C@H]3C1)O2 587395295 PNHHDPWWMOHVPA-YVEFUNNKSA-N 286.375 2.539 0 1 CFAF COc1nccc2nc(COc3ccc(C)cc3)[nH]c12 587565791 UDHPFCRMFVVREF-UHFFFAOYSA-N 269.304 2.854 0 1 CFAF COC1=C[C@@]2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587442148 KGGJYFICYHHYIC-MLGOLLRUSA-N 272.300 2.506 0 1 CFAF C[C@@H](Cc1nc2cc(Cl)c(Cl)nc2[nH]1)N(C)C 587192301 TVUYDNMJPKOJRA-LURJTMIESA-N 273.167 2.757 0 1 CFAF COc1c(C)cc(O)n1-c1c(N)cccc1Br 587936240 HHVLLAIUZNXZSW-UHFFFAOYSA-N 297.152 2.845 0 1 CFAF C[C@H](CCC(=O)O)Cc1nc2cncc(Cl)c2[nH]1 587961689 VYDSYHODCMRKKZ-SSDOTTSWSA-N 267.716 2.655 0 1 CFAF COC(=O)C[C@H](C)Cc1nc2ccc(C(C)(C)C)nc2[nH]1 587787876 XIEISPBKVNBSKQ-SNVBAGLBSA-N 289.379 2.997 0 1 CFAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2c(N)ccnc2[nH]1 587928607 ABDOVTSPPPYLNO-DIFFPNOSSA-N 294.358 2.994 0 1 CFAF N[C@@H](c1nc2cc(Cl)cc(Cl)c2[nH]1)C1COC1 587255339 DZZVLVQTKFCVJR-SECBINFHSA-N 272.135 2.516 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(C1(O)CCCC1)[C@@H](C2)C3=O 587448228 BBTBQLVLZMUXAM-LRDDRELGSA-N 288.343 2.506 0 1 CFAF CC(C)Oc1cc(-c2cccnc2)ccc1C(N)=O 1857551207 DZEKKRSPIVXYAJ-UHFFFAOYSA-N 256.305 2.635 0 1 CFAF CNCCN(C)Cc1ccc(-c2cccc(OC)c2)o1 1772635038 LHXICPUINZLMIR-UHFFFAOYSA-N 274.364 2.606 0 1 CFAF COc1cc2c(cc1O)CCN[C@@H]2Cc1ccc(O)cc1 13524773 HDQFMSLXNCGZDJ-OAHLLOKOSA-N 285.343 2.536 0 1 CFAF CC[C@@H]1O[C@@H](C2CC2)CC2=C1C(=O)OC(C)(C)O2 169303839 HHUWMKCWBYBJLX-VHSXEESVSA-N 252.310 2.528 0 3 CFAF CCCCOc1cc(C)c(N(C)C(=O)[C@H](C)N)c(C)c1 169315383 FELXIDACOWWPFP-ZDUSSCGKSA-N 278.396 2.792 0 1 CFAF Cc1cc2cc(OCCO)cc3oc(C)cc(n1)c23 169350130 JDQLKJSDEIFADS-UHFFFAOYSA-N 257.289 2.969 0 1 CFAF COc1ccc2c3c1O[C@H]1CC=C[C@H]4[C@@H](C2)N(C)CC[C@@]314 169693047 CYNZTGLNKBWNHM-HRJSJKBJSA-N 283.371 2.530 0 1 CFAF O=C1Nc2cc(C(F)(F)F)ccc2[C@]1(O)c1ccccc1 29315101 SYXABDNWLIYAGX-CQSZACIVSA-N 293.244 2.893 0 1 CFAF CC1=C[C@H](Cc2ccccc2)[C@@H](C(C)(C)O)C[C@H]1O 2356372994 PWGBVOTVOLKUPY-OWCLPIDISA-N 260.377 2.943 0 1 CFAF N=c1sc(-c2cccs2)nn1CC(=O)c1ccco1 2548840 ZWSTYEVMGVPZHQ-UHFFFAOYSA-N 291.357 2.628 0 1 CFAF O=c1oc(C=Cc2ccc(O)cc2)nc2ccc(O)cc12 2356433554 MWMMPGDUPHYPAA-UHFFFAOYSA-N 281.267 2.770 0 1 CFAF COc1ccc2c(c1)NC(=O)/C2=C/c1cccc(O)c1 101060879 WSLZYDOZRUPFMS-RIYZIHGNSA-N 267.284 2.894 0 1 CFAF CCC(=O)N(c1ccc(OC)cc1)[C@H]1CCC[C@H]1N(C)C 28238635 JWPRISLADJWQIY-CVEARBPZSA-N 290.407 2.921 0 1 CFAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(F)cc1)O2 101114783 UNNABHWRKRTYKT-RFQIPJPRSA-N 264.296 2.650 0 1 CFAF CCCn1c(C)nc2cc3c(cc21)[C@@H]1CNC[C@H]3C1 28527894 SPWVDDOSSYRJLM-NEPJUHHUSA-N 255.365 2.929 0 1 CFAF CCC=C1C[C@H]2CNc3c(OC)cccc3C(=O)N2C1 2356716715 VRTIPIUNHQTBEU-LBPRGKRZSA-N 272.348 2.672 0 1 CFAF C[C@]12CC[C@H]3C[C@@H](CCO)CC[C@@H]3[C@@H]1CC[C@@H]2O 27521624 KJWKZMUYYBEDRU-NMHRLERGSA-N 252.398 2.972 0 1 CFAF O[C@@H](c1ccncc1)c1ccc(OCCN2CCCC2)cc1 34421620 QQRJWLDQBNAQCC-GOSISDBHSA-N 298.386 2.638 0 1 CFAF in-vivo Cc1[nH]c2ccccc2c1-c1ccnc(N2CCOCC2)n1 72107360 ZZFSPQUVXYVZBC-UHFFFAOYSA-N 294.358 2.770 0 1 CFAF CC(C)N1C(=O)C=C(Cl)[C@@]1(O)c1ccc(Cl)cc1 224824866 OCQGGNQKFOPQMU-ZDUSSCGKSA-N 286.158 2.858 0 1 CFAF c1ccc(Cc2nc3ccc(N4CCNCC4)cc3[nH]2)cc1 45245960 AQDOKZUTZTUMSW-UHFFFAOYSA-N 292.386 2.563 0 1 CFAF Fc1cccc(Oc2nc3ccsc3c3nnnn23)c1 84689642 IDISKTKQZZCGMR-UHFFFAOYSA-N 287.279 2.665 0 1 CFAF Cc1nnc2n1-c1cc(F)c(-c3cccnc3)cc1CC2 142076642 IBUSVQUTXJGYEA-UHFFFAOYSA-N 280.306 2.875 0 1 CFAF CC(C)C[C@@H]1O[C@@H](C)CC2=C1C(=O)OC(C)(C)O2 95600702 JMZRFXRDOXECSW-UWVGGRQHSA-N 254.326 2.774 0 3 CFAF CCc1ccc([C@@H]2C[C@H]3CC[C@@H](N3)[C@H]2C(=O)OC)cc1 253793137 VQVUZWDWIQWSQU-QXSJWSMHSA-N 273.376 2.646 0 1 CFAF CCC(CC)NC(=O)c1nc(-c2cccc(C)c2)cnc1N 473104993 QZJAPAIDQZKCOX-UHFFFAOYSA-N 298.390 2.953 0 1 CFAF CNc1nc2ccc(C)cc2n2c(Br)cnc12 653739233 HDYIEACCFVLKMR-UHFFFAOYSA-N 291.152 2.995 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccncc1F)O2 587387974 XWMWFOCMDCUNJA-AWEZNQCLSA-N 272.279 2.818 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)nc1C)O2 587394749 ZXVKNXRAEBZDBD-QGZVFWFLSA-N 298.342 2.867 0 1 CFAF Nc1ccc(C(=O)CCc2nc3ccc(O)cc3[nH]2)cc1 587251258 DPOXCWCOTODULS-UHFFFAOYSA-N 281.315 2.666 0 1 CFAF Oc1nc(O)c2ccc(-c3ccc4ncsc4c3)nc2n1 587563117 FBFFZNGEZUSNMU-UHFFFAOYSA-N 296.311 2.713 0 1 CFAF CC[C@@H]1C[C@@]2(CCO1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587456747 XXXDZYURUOPNQJ-CJBNDPTMSA-N 288.343 2.770 0 1 CFAF CCCC/C=C/c1nc2ccc(C(=O)OC)nc2[nH]1 587964781 CERZWVVKJXRRRK-VOTSOKGWSA-N 259.309 2.948 0 1 CFAF COc1cc2nc(-c3csc(O)n3)[nH]c2cc1C 587017430 KZZHBGZMOWJVDN-UHFFFAOYSA-N 261.306 2.709 0 1 CFAF FC(F)C(F)(F)c1nc2c(Cl)ccnc2[nH]1 587088777 CAQPODZZFXJDDD-UHFFFAOYSA-N 253.586 2.968 0 1 CFAF O[C@H]1CC[C@@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)CC1 586898314 HXXFPFFEXTYMDO-OCAPTIKFSA-N 285.269 2.995 0 1 CFAF C=C1Nc2sc(-c3ccccc3)cc2C(=O)N1N 958061080 KUFCNGYOABRKDC-UHFFFAOYSA-N 257.318 2.628 0 1 CFAF COC1([C@@H]2NCCc3cccc(Cl)c32)CCOCC1 963390607 LLGDRXPLYYTPJU-CQSZACIVSA-N 281.783 2.722 0 1 CFAF Cc1n[nH]c(C)c1-c1cc2c(s1)C(=O)NC(C)(C)N2C 114222976 QOHNFQQAYQMOLO-UHFFFAOYSA-N 290.392 2.671 0 1 CFAF Cc1cccc2c1N=C1N(c3ccccc3)CC[C@@]1(O)C2=O 137852209 PGAGXFLEDIYPCD-GOSISDBHSA-N 292.338 2.863 0 1 CFAF C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](O)[C@H]3[C@@H]1CC[C@@H]2O 4915797 CQPNIWHVQNCXHA-HTPGKPQGSA-N 288.387 2.580 0 1 CFAF in-vitro C[C@@H]1CCCN(c2nc3ccsc3c(=O)s2)C1 2601993 TXFLAQKJWVFTOH-MRVPVSSYSA-N 266.391 2.954 0 3 CFAF CC1=C[C@@H]2C[C@@H]3C(=CC(=O)N3CC(=O)O)C(C)(C)[C@H]2CC1 2356429925 LJNIJQLVQNRHEK-MBNYWOFBSA-N 289.375 2.611 0 1 CFAF O=C1OC(c2ccccc2)=N[C@@]12C[C@H]2c1ccccc1 3633148 ULXGGSMQBXPSTH-WMLDXEAASA-N 263.296 2.916 0 1 CFAF COC[C@]12Cc3ccc(O)cc3[C@@](C)(CC[C@@H]1N(C)C)C2 100768765 LMPYGANIBIHENG-OKZBNKHCSA-N 289.419 2.953 0 1 CFAF Cc1nc(CF)nc(NCc2ccc(Cl)cc2)n1 103296887 IBMJQZXMROXPLR-UHFFFAOYSA-N 266.707 2.915 0 1 CFAF CC[C@@H]1CCC2=C[C@@H]3C(C(F)(F)F)=CC(=O)N[C@@H]3C=C2N1 101113939 CBBKASYECJYSCB-GIPNMCIBSA-N 298.308 2.576 0 1 CFAF CCO/C(O)=C1\C(N)=Nc2ccccc2N=C1CC 101639881 KJSGESQKMXTVKN-OWBHPGMISA-N 259.309 2.978 0 1 CFAF CCCCCSc1nc2nc(NC)sc2c(=O)[nH]1 28570397 CZVZETBOYBIOLY-UHFFFAOYSA-N 284.410 2.704 0 1 CFAF COC1=CC=C[C@@H]2Cc3cccc(OC)c3C(=O)[C@@H]12 2356581448 WHATXAFZRPBQQC-QMTHXVAHSA-N 256.301 2.767 0 1 CFAF Cc1cc2oc(=O)cc(CN3[CH]NC=C3)c2cc1Cl 2356815233 LCCHKQREOWNDFD-UHFFFAOYSA-N 275.715 2.751 0 1 CFAF CCCC(=O)CCOc1ccc(/C=C/C(=O)O)cc1OC 38683817 SNLLNWNLKJEPMG-SOFGYWHQSA-N 292.331 2.931 0 1 CFAF CCCCNC(=O)c1ccc(-c2ccccc2N)[nH]1 43018439 MRZICMXBHNCTMT-UHFFFAOYSA-N 257.337 2.794 0 1 CFAF COc1ccc([C@@H]2[C@H](CCO)C(=O)N2c2ccccc2)cc1 49034298 HJWSANCGHXJBNY-DLBZAZTESA-N 297.354 2.782 0 1 CFAF CCCCOc1ccc([C@H]2CNC(=O)CS2)cc1 45356975 ATDGSQDDAVNPIE-CYBMUJFWSA-N 265.378 2.770 0 1 CFAF in-vivo O=C1NC(=O)N(CCc2ccccc2)/C1=C/c1ccccc1 40567400 IBVCTRHXFPZWIF-DTQAZKPQSA-N 292.338 2.822 0 1 CFAF CCNC(=O)/N=c1/[nH]c2ccc(-c3cccc(F)c3)cc2[nH]1 95602271 YATWRTAEMOCGKB-UHFFFAOYSA-N 298.321 2.932 0 1 CFAF N[C@@H]1C[C@H]1c1ccccc1NC(=O)c1ccccc1 299853129 GCUCZFAQCSDCOP-UONOGXRCSA-N 252.317 2.754 0 1 CFAF COc1nccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c12 586908606 SIHOMCHDUFVXSC-SECBINFHSA-N 297.314 2.547 0 1 CFAF Cc1cc(F)c2[nH]c([C@H](O)c3cccc(O)c3)nc2c1 586890509 KHTLPQLTQGDNHW-CQSZACIVSA-N 272.279 2.798 0 1 CFAF CC(=O)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587815444 MZUTXTCOXVCQIA-INWYIAFRSA-N 286.144 2.753 0 1 CFAF COC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1ccncc1 587636815 JVOXUFQTIFSMAF-UHFFFAOYSA-N 298.273 2.720 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](CCC(=O)OC)CC2=O 587484172 YOEBFUJKFFZDEJ-SNVBAGLBSA-N 292.331 2.632 0 1 CFAF O=C(O)Cc1c(-c2ccccn2)[nH]c2c(C(=O)O)cccc12 587639545 ZGHSUWBMNLTLJB-UHFFFAOYSA-N 296.282 2.555 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](c1ccnn1C)CC2=O 587478339 SCJIYWZCHQCKEF-OAHLLOKOSA-N 286.331 2.785 0 1 CFAF COc1cc2c3c(c1)O[C@]1(CCC[C@@]4(C)O[C@@H]41)[C@@H](C2)C3=O 587449212 ALSVMOPANTYDEJ-IAOMBJDPSA-N 286.327 2.523 0 1 CFAF COc1cc2nc(-c3cccc(CO)c3)[nH]c2cc1OC 586895185 SULWILXWJQCKEO-UHFFFAOYSA-N 284.315 2.739 0 1 CFAF O=C1CSC[C@H](c2nc3cc4ccccc4cc3[nH]2)N1 587043962 WFENHIHAYCLRAE-CYBMUJFWSA-N 283.356 2.620 0 1 CFAF COc1cc2c3c(c1)O[C@H](C[C@H]1CCCOC1)[C@@H](C2)C3=O 587454272 SDHPNEDJFISUBR-LERXQTSPSA-N 288.343 2.628 0 1 CFAF Oc1c(-c2nc3ccnc(O)c3[nH]2)ccc2c1CCCC2 586897772 JHYHQZJUGFVKTK-UHFFFAOYSA-N 281.315 2.915 0 1 CFAF O=C(O)c1cccc2nc(Cc3csc4nccn34)[nH]c12 587040058 JQFZOWMDWHPWER-UHFFFAOYSA-N 298.327 2.561 0 1 CFAF COC(=O)C1(c2cc3c4c(cccc4n2)CC3)CC1 587213332 HIFJVIGPCXCVHV-UHFFFAOYSA-N 253.301 2.538 0 1 CFAF CC1=C2[C@H](/C=C(\C)C(=O)O)CC[C@@H](C)[C@@H]2[C@H](O)C1 13783203 XJNQXTISSHEQKD-CTDANYSGSA-N 250.338 2.761 0 1 CFAF endogenous,in-man Clc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)cn1 150067751 ATWQTXOBMPMHMO-LBPRGKRZSA-N 290.754 2.535 0 1 CFAF CC1=C[C@H](C)[C@]2(CO)CO[C@@H](c3cccnc3)[C@@H]1[C@@H]2C 169294266 ZIVNUWICSJWDPM-PTTAZLHSSA-N 273.376 2.980 0 1 CFAF C[C@H](O)c1ccc2c(c1)[Si](C)(C)CC[Si]2(C)C 202678324 OXWPCHTWQSCUMJ-NSHDSACASA-N 264.517 2.584 0 1 CFAF COc1ccc(-c2noc(C[C@@H]3CN4CCC3CC4)n2)cc1 1857557278 JOFZVTXRVILMHK-CQSZACIVSA-N 299.374 2.630 0 1 CFAF N=c1[nH][nH]c2ccc(NC(=O)c3cccc(Cl)c3)cc12 1857583724 LDQKQYQUOADFMB-UHFFFAOYSA-N 286.722 2.881 0 1 CFAF Cc1cc(NCCCO)n2nc(-c3cccs3)cc2n1 4980291 VXIHALVXUMLQFZ-UHFFFAOYSA-N 288.376 2.561 0 3 CFAF Cc1cccc(C)c1NC(=O)CCc1n[nH]c(=S)o1 6491258 VMQMRUFAPLEUEQ-UHFFFAOYSA-N 277.349 2.920 0 1 CFAF C[C@H]1Cn2c(O)nc3cccc(c32)CN1Cc1ccco1 6495358 RQVOKTDBDMNGCN-NSHDSACASA-N 283.331 2.739 0 1 CFAF CC(=CC(=O)O)[C@@H]1CC2=CCCC(C)(C)[C@H]2[C@@H]1O 2356438448 GNCWMCSOOYUYGR-IACUBPJLSA-N 250.338 2.761 0 1 CFAF c1ccc(CN2C[C@H]3C[C@H](C2)CN(CC2CC2)C3)cc1 101986944 GMCXFOAXHJZUDC-QZTJIDSGSA-N 270.420 2.850 0 1 CFAF CNC(=O)N(C)[C@@H]1c2ccccc2Sc2ncccc21 28015540 CJHFAIHPZPFUAH-CYBMUJFWSA-N 285.372 2.907 0 1 CFAF CO[C@](C)(C=C[C@H](O)C(C)C)C1CCC(C)(NC=O)CC1 2356677628 GWYOMVLIZRMWIS-ODZFXCKXSA-N 297.439 2.660 0 1 CFAF COc1ccc([C@H]2CC(c3ccco3)=NN2C(C)=O)cc1 66112637 BDNBFLNTGGGOFA-OAHLLOKOSA-N 284.315 2.986 0 1 CFAF CN1CCc2cc3c(c4c2[C@H]1[C@@H](O)c1ccccc1-4)OCO3 31949901 NVMGTUCOAQKLLO-IRXDYDNUSA-N 295.338 2.658 0 1 CFAF Cc1c(F)cccc1C(=O)N(CC(C)C)[C@@H]1CCNC1 212461338 NFOLOYSQMPQIMO-CYBMUJFWSA-N 278.371 2.594 0 1 CFAF in-vitro c1cc(Nc2nc3c(s2)CCCc2n[nH]cc2-3)ncn1 72118776 NGZOBRYWWQNTCK-UHFFFAOYSA-N 284.348 2.556 0 1 CFAF COc1cc(O)cc2c1-c1c(O)cc(O)cc1CC2 49112938 NZKNGRUDKDLOEK-UHFFFAOYSA-N 258.273 2.578 0 1 CFAF COc1cc(/C=C/[C@@H]2CC=CC(=O)O2)cc(OC)c1OC 84709850 OZHWJMXRBZHJMM-GUOLPTJISA-N 290.315 2.597 0 1 CFAF COc1ccc(N(C)c2ncnc3c2CCC3)cc1 96934236 KSUOPQDQBZHIEQ-UHFFFAOYSA-N 255.321 2.742 0 1 CFAF Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CCCOC1 95575526 LBYZCKLBCNESOI-JTQLQIEISA-N 256.309 2.573 0 1 CFAF O=C1C=CC(=O)N1Cc1ccc(Oc2ccccc2)cc1 96258106 HMKSWLPMZGRQRY-UHFFFAOYSA-N 279.295 2.904 0 1 CFAF C[C@H]1Cc2cnc3[nH]nc(N)c3c2-c2ccccc21 299822762 BPVHKHPROMKWBQ-QMMMGPOBSA-N 250.305 2.867 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCCC[C@@H](C)O)O2 587403048 DKPIWKKBWAYGNU-VXGBXAGGSA-N 277.364 2.852 0 1 CFAF C[C@H](CCC(=O)O)Cc1nc2ccc(Cl)nc2[nH]1 587960109 FQGDGIVAHFMKOD-SSDOTTSWSA-N 267.716 2.655 0 1 CFAF Nc1ncnc2[nH]c(-c3cc4ccccc4c(Cl)n3)nc12 587085749 FLOJCWHAMJIGQN-UHFFFAOYSA-N 296.721 2.804 0 1 CFAF COC(OC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587524453 QRNIYPOMQODNJH-KRWDZBQOSA-N 290.359 2.908 0 1 CFAF C[C@H](Cc1nc2c(Cl)c(Cl)cnc2[nH]1)N(C)C 587192111 RDVRIBLOCUVZHL-ZCFIWIBFSA-N 273.167 2.757 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1CCC(C)(C)O1)O2 587410975 HZEXBWJXHBMVOR-KBPBESRZSA-N 275.348 2.869 0 1 CFAF Cn1cnc2cc([C@H]3NCCc4ccc(O)cc43)ccc21 963339777 BSWKTKURBYQKCQ-QGZVFWFLSA-N 279.343 2.514 0 1 CFAF O=C(O)c1ccccc1C[C@@H]1Cc2ccccc2C1=O 5538050 GTRFHPLFAYPTSD-ZDUSSCGKSA-N 266.296 2.983 0 1 CFAF CN1CCN=C1Cc1ccc(-c2ccccc2)nc1 13487906 HVKNMVAKTMCQCN-UHFFFAOYSA-N 251.333 2.635 0 1 CFAF CC[C@H]1CC[C@@H](n2c(O)nc3ccc(N)cc3c2=O)CC1 1857553915 FWALOTNMHVJBSB-KLPPZKSPSA-N 287.363 2.826 0 1 CFAF CCC[C@]1(C(=O)OCC)CC[C@@]2(c3ccccc3)O[N@@]21 1857579616 KRKSCNCTBHZUGE-IXDOHACOSA-N 275.348 2.982 0 1 CFAF CCO[C@H]1C=C[C@H]2CC=CCC[C@H](C)OC(=O)C[C@@H]1O2 1857626488 IBVQQVWBVNFAHW-XGUBFFRZSA-N 280.364 2.777 0 1 CFAF CCn1[nH]cc2nc(-c3ccc(OC)c(COC)c3)nc1-2 103598118 CFHISPXHUROQQP-UHFFFAOYSA-N 286.335 2.553 0 1 CFAF CC1=C[C@@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@@H]2CCCN3C 100920556 JCINWKNLTDEYIA-PBFPGSCMSA-N 270.376 2.847 0 1 CFAF Cn1cc(C2=NCC3(C[C@@H]4CC[C@@H](C3)N4)O2)c2ccccc21 101165818 PDAFNQMUAMELER-STQMWFEESA-N 295.386 2.608 0 1 CFAF C[C@@H]1Oc2cc(O)ccc2N=C1c1ccc(O)cc1 53150181 LBUVQMLHJOQGMT-VIFPVBQESA-N 255.273 3.000 0 1 CFAF CN1Cc2cnnn2-c2ccccc2[C@@H]1c1ccccc1 61943115 PDVOHWJKMOHSHI-KRWDZBQOSA-N 276.343 2.802 0 3 CFAF CCN1CCOc2cc(COc3ccccc3)cnc21 66077280 BNPYZSLINHTRBZ-UHFFFAOYSA-N 270.332 2.879 0 1 CFAF CCOC(=O)c1c(C)nc2c(cnn2C[C@H](C)CC)c1N 26575277 FGXGGSTTXFKIAP-SECBINFHSA-N 290.367 2.545 0 1 CFAF CC[C@]1(O)C(=O)Nc2ccc(-c3c(C)noc3C)cc21 219534082 SQPWJRKOCCOBMI-OAHLLOKOSA-N 272.304 2.508 0 1 CFAF O=C(OCCCCO)c1cccc2c1-c1ccccc1C2=O 40862690 LHMWYRYMWSDDPL-UHFFFAOYSA-N 296.322 2.827 0 1 CFAF CC1(C)C[C@@H]2OC(=O)CC[C@@]23C[C@](C)(O)CC[C@@H]13 140849454 PZLWQZYBJYOJTN-AZHAFVHUSA-N 252.354 2.659 0 1 CFAF COc1cc2c(cc1C)[C@@H](C(C)C)CC(=O)[C@]2(C)O 95563653 OMOBECVRYGWBSZ-BDJLRTHQSA-N 262.349 2.924 0 1 CFAF CNC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2C 253793163 VVUBAWQWFHXQPO-BARDWOONSA-N 292.810 2.652 0 1 CFAF COC(=O)/C=C/[C@H]1[C@H](c2ccccc2)C[C@H]2CC[C@H]1N2C 261148994 OMLSVYSQLRWXNO-FLCPJYTRSA-N 285.387 2.982 0 1 CFAF O=C(O)Cc1ccc2c(c1)OCc1ccccc1C2 139119017 RABHTPKGIVGGIK-UHFFFAOYSA-N 254.285 2.797 0 1 CFAF Nc1ccnc2nc(C(=O)Cc3ccc(Cl)cc3)[nH]c12 587069789 KYCUPRZHRGNCGV-UHFFFAOYSA-N 286.722 2.619 0 1 CFAF Cc1n[nH]c(C)c1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587877011 ZCGNXMYTYOVJRC-UHFFFAOYSA-N 298.277 2.823 0 1 CFAF Cc1cnc2[nH]c(C34CCC(CO)(CC3)CC4)nc2c1 586898077 GFWSMFUULMHDGT-UHFFFAOYSA-N 271.364 2.851 0 1 CFAF Cc1cncc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c12 587245024 UXGWUSFBOYTQGU-BQYQJAHWSA-N 278.315 2.918 0 1 CFAF Cc1cc(C)cc(-c2nn3c(=O)c(F)c(C)nc3s2)c1 1857655476 FKVUUBCMBTVQQJ-UHFFFAOYSA-N 289.335 2.882 0 1 CFAF Cc1nc2c(C)cccc2cc1C(=O)C1C(=O)CCCC1=O 1772577442 BZCJNHYQDUZSJV-UHFFFAOYSA-N 295.338 2.973 0 1 CFAF O=C1NC[C@@H](c2ccccc2)N1c1ccc2nccn2c1 1772648935 ATQDIKHTHKRYFL-AWEZNQCLSA-N 278.315 2.605 0 1 CFAF C[S@](=O)C1=NCc2c([nH]c3ccccc23)S1 13414510 YUXKTUVIOWXKPA-MRXNPFEDSA-N 250.348 2.508 0 1 CFAF endogenous,in-man CN1CCc2cccc3c2[C@H]1Cc1cccc(C(N)=O)c1-3 13757619 DUINJXQXGUDXQC-OAHLLOKOSA-N 278.355 2.538 0 1 CFAF N=C(N)NCc1ccc(/C=C/c2ccccc2)cc1 13799645 ONPCTOYZFVSGHH-VOTSOKGWSA-N 251.333 2.840 0 1 CFAF O=C(O)CCn1ncc(-c2cc(Cl)cc(Cl)c2)n1 169345759 DWBZRGYKPJJCSP-UHFFFAOYSA-N 286.118 2.727 0 1 CFAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccs1 169371919 ZLWKHMNSEAGVBX-OXQRGSMSSA-N 289.400 2.787 0 1 CFAF N=C1NCCN1CCc1ccc(-c2ccccc2)cc1 1857751434 FHLADHJWYVTSTC-UHFFFAOYSA-N 265.360 2.736 0 1 CFAF COc1ccc(-c2ccccn2)c2ccc(=O)[nH]c12 26476408 MWQBMPKQEJFSSR-UHFFFAOYSA-N 252.273 2.599 0 1 CFAF Cc1cccc(COc2cccc3nc(N)nc(N)c23)c1 28971241 NVDNSIUKODAFDM-UHFFFAOYSA-N 280.331 2.682 0 1 CFAF CN1[C@H]2CC[C@H]1CC(OC(=O)CCc1ccccc1)C2 100194783 DKIGFMGFYCZXBZ-GJZGRUSLSA-N 273.376 2.788 0 1 CFAF in-vitro CCCc1cc(O)c2c(O)n(-c3ccccc3)nc2n1 103530001 LTXZTHQYIHEQGU-UHFFFAOYSA-N 269.304 2.784 0 1 CFAF CO[C@H](C1=NCCN1)[C@H](Oc1ccccc1)c1ccccc1 2356321556 APPDQPXWOYUJEV-SJORKVTESA-N 296.370 2.823 0 1 CFAF CN(C)Cc1ccccc1CN(C)c1ncnc2[nH]ccc12 65384022 SRMPPTVJNKCIJW-UHFFFAOYSA-N 295.390 2.656 0 1 CFAF O=Cc1cc(C=Cc2cc(O)cc(O)c2)ccc1O 2356551902 WTQVAZILUGEBFG-UHFFFAOYSA-N 256.257 2.786 0 1 CFAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]3CC[C@H](O)[C@]3(C)CC[C@H]12 34801419 DOFRSNSWULWZJS-WTPTZWQTSA-N 289.419 2.645 0 1 CFAF O=C(O)c1c(O)cccc1OCc1ccc(F)cc1 72106464 ONZKVYCAPPOXFX-UHFFFAOYSA-N 262.236 2.809 0 1 CFAF CC(C)Nc1nccc(-c2c[nH]nc2[C@@H]2CCCOC2)n1 40940059 GTRPPGMPULGRCP-LLVKDONJSA-N 287.367 2.581 0 1 CFAF O=C(O)/C=C1/C(=O)N(CC2CCCC2)c2ccccc21 49111882 FOGAWBUMVPNTRU-UKTHLTGXSA-N 271.316 2.691 0 1 CFAF O=C(O)c1[nH]nc2c1C[C@H](c1cc(F)ccc1F)CC2 42920094 UPIXPUKUUGSFKW-SSDOTTSWSA-N 278.258 2.659 0 1 CFAF C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cn1cc2c(n1)CCCC2 251868359 QJQZQVNDYFHFLT-VNHYZAJKSA-N 289.423 2.703 0 1 CFAF Cc1cc(C)cc(OCc2nc3cccc(C(N)=O)c3[nH]2)c1 587563823 AZJOZOKRKQOKTB-UHFFFAOYSA-N 295.342 2.858 0 1 CFAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncccn1 587871600 KXHHCHOYIXDICR-UHFFFAOYSA-N 284.294 2.867 0 1 CFAF Cc1nc(N(C)C)ncc1-c1nc2cccc(F)c2[nH]1 587194621 KHASLQGPUMUOGE-UHFFFAOYSA-N 271.299 2.533 0 1 CFAF COc1ccc2nc(-c3cccc(NC(N)=O)c3)[nH]c2c1 587242297 PUZTVJLQKFTTNM-UHFFFAOYSA-N 282.303 2.729 0 1 CFAF Cc1ccc2nc(C[S@@](=O)CC3CC3)[nH]c2c1C 586960151 SWRDJQKEEBTWIY-SFHVURJKSA-N 262.378 2.838 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)[C@@H](c1ccccc1)CC3 587561988 NAXPOHPKHVTFTO-LLVKDONJSA-N 279.299 2.514 0 1 CFAF CC[C@]1(c2cn[nH]c2)CC(=O)c2cc(C)cc(N)c2O1 587396358 JQKBJADGVSKTLQ-OAHLLOKOSA-N 271.320 2.571 0 1 CFAF CCc1ccc(C(=O)CCc2nc3c(N)ccnc3[nH]2)cc1 587957176 RPGXTUGRIIGNHX-UHFFFAOYSA-N 294.358 2.918 0 1 CFAF c1ccc(C[C@@H]2N[C@H](c3nc4cccnc4[nH]3)CS2)cc1 587038712 BIEMXWLWHDYAKZ-UONOGXRCSA-N 296.399 2.904 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](C)C[C@@H]1C 587407249 ZGEHKYHWJBIQTG-KCWFYHRYSA-N 273.332 2.526 0 1 CFAF CCCCCCNC(=O)n1c(N)nc2ccccc21 1772637418 ULRWTYPVGWJBCC-UHFFFAOYSA-N 260.341 2.757 0 1 CFAF O=C(O)c1c(-c2ccc(O)cc2)oc2ccccc2c1=O 13820360 MWOZPGSGEDJVKC-UHFFFAOYSA-N 282.251 2.864 0 1 CFAF CN1CC[C@]23c4c5cccc4O[C@H]2CCC[C@H]3[C@H]1C5 29051170 HWXKCCDLLDWFIH-UICACZKSSA-N 255.361 2.746 0 1 CFAF COc1ccc(OC)c([C@H]2NCC[C@@]3(O)CCCC[C@H]23)c1 4012342 YDBPAMFTYNDWQO-OIISXLGYSA-N 291.391 2.660 0 1 CFAF CCO[C@@H]1Sc2nnc(CC)n2N=C1c1ccccc1 103174351 GZPLAYPGBDVRMA-CYBMUJFWSA-N 288.376 2.561 0 1 CFAF COC(=O)C1=C2[C@@](C)(C(N)=O)CCC[C@@]2(C)c2ccccc21 2356723496 KYJCGCPXRNIZAE-ROUUACIJSA-N 299.370 2.560 0 1 CFAF COC(=O)C1=C(c2ccc(F)cc2)C[C@H]2CC[C@@H]1N2C 26578400 ZECSPXOBAAGUES-OCCSQVGLSA-N 275.323 2.619 0 1 CFAF C[C@@H](C(=O)Nc1nsc2ccccc12)N1CCCC1 40379570 ZOECCQDCEZWJOK-JTQLQIEISA-N 275.377 2.719 0 1 CFAF NC(=O)N1CCCc2cc(-c3cncc(Cl)c3)cnc21 221434986 UENGCOCDHATDHB-UHFFFAOYSA-N 288.738 2.628 0 1 CFAF Cc1cccc(C(N)=O)c1NC(=O)c1ccc(Cl)cc1 146049780 XIDNVBVICAENBH-UHFFFAOYSA-N 288.734 3.000 0 1 CFAF COc1ccccc1-n1nc(Oc2ccccc2)oc1=O 140498908 XPAYPCUUCOOPRE-UHFFFAOYSA-N 284.271 2.626 0 1 CFAF O=C1O[C@@]2(Oc3cc(Cl)ccc3C2=O)c2ccccc21 95589169 FZEHYUMTBOCDFX-HNNXBMFYSA-N 286.670 2.939 0 1 CFAF CO[C@@H]1CCCn2nc(COc3ccccc3)cc21 299836849 ICSSNRVOONIPGW-OAHLLOKOSA-N 258.321 2.943 0 1 CFAF COc1nn2cc(-c3nc4cc(C)ccc4o3)nc2s1 653749390 WKCYXTJAFZUDBY-UHFFFAOYSA-N 286.316 2.916 0 1 CFAF CNC(=O)[C@H]1CCC[C@@H](C(=O)O)[C@@H](C)[C@H](C)[C@H](C)[C@@H]1C 653705320 NEHGQTZWYRKUQN-WHCZJHEKSA-N 283.412 2.778 0 1 CFAF COc1ccc(O)n1[C@H](COc1cc(F)cc(F)c1)N=O 587945765 QPIFBVHHJXEJII-LLVKDONJSA-N 298.245 2.825 0 1 CFAF Oc1nc(O)c2ccc(-c3sccc3Cl)nc2n1 587563713 WCFVQYWHVVWEIV-UHFFFAOYSA-N 279.708 2.818 0 1 CFAF COc1cc2c3c(c1)O[C@]1(CC[C@H]4C[C@H]41)[C@@H](C2)C3=O 587446831 GOONRPYVMTWCKW-CLQONRBTSA-N 256.301 2.611 0 1 CFAF CCOCCOCc1nc2ccc3c(c2[nH]1)CCCC3 587777885 FGSRVSHBUKAFJE-UHFFFAOYSA-N 274.364 2.995 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(CCO)cc1)O2 587403620 JPFSLYBXIWIXEH-QGZVFWFLSA-N 297.354 2.819 0 1 CFAF COc1ccc2nc([C@@H](C)Sc3ncccn3)[nH]c2n1 586963499 KSEZIDLNSATFBB-MRVPVSSYSA-N 287.348 2.610 0 1 CFAF Nc1c(-c2nc3c(N)ccnc3[nH]2)ccc2ccccc12 587253888 RZEIUVPPKBPUDP-UHFFFAOYSA-N 275.315 2.943 0 1 CFAF Cc1cnc2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2c1 587118525 NZYRKJUZIROHSB-UHFFFAOYSA-N 295.268 2.724 0 1 CFAF COc1c(F)ccc(-c2nc3c(C)nc(C)cc3[nH]2)c1N 587132909 KXDCCTUMFNBMJF-UHFFFAOYSA-N 286.310 2.972 0 1 CFAF Fc1ccc2c(c1)C[C@@H](c1nc3nc(Cl)c[nH]c-3n1)O2 587175071 VWXDUHSKMOTZGM-VIFPVBQESA-N 290.685 2.773 0 1 CFAF O=C(O)COc1c(C(=O)O)sc2cc(Cl)ccc12 14954960 INKIQAQGXRVRHX-UHFFFAOYSA-N 286.692 2.716 0 1 CFAF O=C(Nc1n[nH]c2cc(-c3cc[nH]c3)ccc12)C1CC1 1772588873 OQDOYEZMAZVOBT-UHFFFAOYSA-N 266.304 2.907 0 1 CFAF COC(=O)C1=C(C)[C@@]23CC[C@@H](C)[C@@H]2CC[C@@]3(C)[C@@H]1O 14509403 DZFYCBVMBWCTAG-IBRGLHJFSA-N 264.365 2.683 0 1 CFAF NCc1c(N)nc(-c2ccccc2)nc1-c1ccccc1F 14948315 JGZBQNSUNNURPM-UHFFFAOYSA-N 294.333 2.991 0 1 CFAF COc1ccccc1-c1cncnc1NCCc1cnc[nH]1 4239457 IUKLKGORHXITEZ-UHFFFAOYSA-N 295.346 2.530 0 1 CFAF O=c1oc2cccc(O)c2cc1Cc1ccc(O)cc1 1911584127 KZNMSFLFTUVDAL-UHFFFAOYSA-N 268.268 2.795 0 1 CFAF C[C@H](O)C[C@@H]1CC=C[C@H](C[C@@H](O)c2ccccc2)N1C 2356425331 CZHJFVUTFXWPCR-QMCVQRASSA-N 275.392 2.510 0 1 CFAF C/C1=C\CC(=O)[C@@H](C)C[C@@H]2OC(=O)[C@@H](C)[C@H]2CC1 238749100 KLZWSNKEPLKAOS-ODUDKFHSSA-N 250.338 2.890 0 1 CFAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1CN(C)C(C)C 587650902 WSWIFENOLRDXQP-UHFFFAOYSA-N 294.420 2.720 0 1 CFAF Fc1ccc2c(c1)-c1cc(n(-c3ncccn3)n1)O2 587874519 DZNXBXVUGPMOEX-UHFFFAOYSA-N 254.224 2.574 0 1 CFAF C=Cc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587561140 LUKUZKAVKIHVES-UHFFFAOYSA-N 265.272 2.746 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3ncncc31)O2 587394220 DVUUIYDHAGCXFP-KRWDZBQOSA-N 295.342 2.564 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cnccc1OC)[C@@H](C2)C3=O 587437122 WYNJMRNCRPHJJP-APPDUMDISA-N 297.310 2.588 0 1 CFAF O=C1CSc2ccc(-c3nc4cccc(O)c4[nH]3)cc2N1 587043221 JBXYTAMSCUCNEV-UHFFFAOYSA-N 297.339 2.980 0 1 CFAF COc1ccc(CCC(=O)O)c2c1C=CC(C)(C)O2 685935278 GAOYLDLXEGGPHT-UHFFFAOYSA-N 262.305 2.897 0 1 CFAF biogenic,in-vitro COC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C 13586315 QUSLQENMLDRCTO-GBJTYRQASA-N 277.339 2.565 0 1 CFAF in-vivo COc1cccc2c(OC(C)C)c(C(N)=O)sc12 13603723 SVQZNMPFNZJHDD-UHFFFAOYSA-N 265.334 2.796 0 1 CFAF COc1ccc2c(c1)[C@]13CCN(C)[C@@H](C2)[C@H]1[C@H](C)CC(=O)C3 100802319 FVZCKWRBLLZDHV-YJQAKTFBSA-N 299.414 2.808 0 1 CFAF Cc1n/c(=N\Cc2cccnc2)sn1-c1ccccc1 101506410 KKAOEWBXPKUQOL-BMRADRMJSA-N 282.372 2.738 0 1 CFAF CO[C@@]1(C)CC[C@H]2[C@H](C)CC[C@@H]3[C@@H](C)C(=O)N[C@H](O1)[C@H]23 27560314 DXARRUAXLWZAIN-UMTBGXIUSA-N 281.396 2.530 0 1 CFAF CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)cc3O)[C@@H]1C2 28129302 DPSFHIZAYAXNOM-VNQPRFMTSA-N 276.332 2.504 0 1 CFAF CNC(=O)Nc1ccc(Oc2ncnc3ccn(C)c23)cc1 64245818 DQLNSXWMOVNYKM-UHFFFAOYSA-N 297.318 2.512 0 1 CFAF CCCCCCOc1nccnc1[C@H]1CN2CC[C@@H]1C2 27094874 NFWZXXINCSENSK-KGLIPLIRSA-N 275.396 2.855 0 1 CFAF Cc1ccc(-c2cccn(Cc3[nH]cnc3C)c2=O)s1 26983378 MPPXOBFPKLHPKN-UHFFFAOYSA-N 285.372 2.965 0 1 CFAF C[C@H]1Oc2cc(O)cc(O)c2N=C1c1ccc(O)cc1 34219919 LIEZHLXUCGSNOU-MRVPVSSYSA-N 271.272 2.705 0 1 CFAF Cc1n(O)c2ccc(/C=C/c3ccccc3)cc2[n+]1[O-] 40762931 JHWRTCSTIFXNFG-BQYQJAHWSA-N 266.300 2.991 0 1 CFAF OCc1cc(O)ccc1CCCc1ccc(O)cc1 85644875 CAGLHWKYSWLQJO-UHFFFAOYSA-N 258.317 2.765 0 1 CFAF biogenic,in-vitro CN1C(=O)[C@@H]2O[C@H](c3ccccc3)[C@H]1[C@H]2c1ccccc1 238731522 QVGJMLNUOQHRAS-QBPKDAKJSA-N 279.339 2.751 0 1 CFAF COc1cccc2c1O[C@H]1c3ccccc3OC(=O)[C@H]1C2=O 238777706 VLLJCCABEVTDGI-BBRMVZONSA-N 296.278 2.547 0 1 CFAF COC(=O)[C@@H]1[C@H](c2ccc(C)c(F)c2)C[C@H]2CC[C@H]1N2C 253640540 ZIXPADCAHDMWPA-OCVGTWLNSA-N 291.366 2.873 0 1 CFAF CN(C)c1ncccc1-c1nc2c(F)cccc2[nH]1 587195209 DTXHNMIWFKZPAY-UHFFFAOYSA-N 256.284 2.830 0 1 CFAF CN[C@@H](c1cccnc1)c1nc2cc(C)c(F)cc2[nH]1 587222249 IYKZIBGTJQXRRP-AWEZNQCLSA-N 270.311 2.714 0 1 CFAF Nc1ncnc2[nH]c(-c3cccc(F)c3C(F)(F)F)nc12 587098577 TYZHRAYJLXORPA-UHFFFAOYSA-N 297.215 2.760 0 1 CFAF CS(=O)(=O)c1c(C(F)(F)F)[nH]c2cccc(F)c12 587633962 QVXSWLSYALNCFD-UHFFFAOYSA-N 281.230 2.729 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](C)C[C@H]1C 587407277 ZGEHKYHWJBIQTG-YNHOBRIKSA-N 273.332 2.526 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H]3CCC[C@H](C1)N3)O2 587401600 SXJSXFMDBPLWIE-GTKHYJCHSA-N 286.375 2.586 0 1 CFAF O=C1c2ccccc2-c2cc(CO)nc3ccc(O)c1c23 586991197 RALCXKWRENTHQL-UHFFFAOYSA-N 277.279 2.644 0 1 CFAF Cc1c(F)ccc2nc(CS(=O)(=O)C3CCCC3)[nH]c12 586925256 YAEAGOCUTQQZIK-UHFFFAOYSA-N 296.367 2.868 0 1 CFAF Cc1nc(-c2c[nH]cc2-c2nc3cc(=N)[nH]cc3[nH]2)cs1 587022014 UONAAPHSLHUXHP-UHFFFAOYSA-N 296.359 2.797 0 1 CFAF C(=C\c1ccccc1)\COCc1nc2cnncc2[nH]1 587780817 JHEJHOPZMKTWSL-DAXSKMNVSA-N 266.304 2.583 0 1 CFAF Cc1cccc(Cl)c1OCCCCN[C@H](C)CO 1857775314 BQOZJCJRRLBQGI-GFCCVEGCSA-N 271.788 2.778 0 1 CFAF CC(=O)N1c2ccccc2N(C(=O)CC(C)C)C[C@@H]1C 1857645865 MQVJOGMUDIEXSD-LBPRGKRZSA-N 274.364 2.821 0 1 CFAF Clc1ccc2c(c1)CC[C@@H]1CCNCCCN21 1772632609 QGARNHVKTVUAKJ-CYBMUJFWSA-N 250.773 2.845 0 1 CFAF Cc1cc2oc(N3CCN(C)CC3)nc2cc1Cl 13780591 IFSXUSKJSDHTSE-UHFFFAOYSA-N 265.744 2.541 0 1 CFAF Cn1c2c3c(n[nH]c(=O)c4cccc1c34)CC(C)(C)C2 150189142 REAIHMZTEDGLRK-UHFFFAOYSA-N 267.332 2.540 0 1 CFAF CCCNc1cc(C)nc2c(Br)cnn12 169314434 IVWWQCWQCAQQDD-UHFFFAOYSA-N 269.146 2.622 0 1 CFAF C[C@H]1CC[C@@H]2[C@@](C)(C(=O)O)C[C@@]3(C)CC[C@H]1[C@]23O 207471735 HJIXPIWBGQEXMJ-WGTIWHRCSA-N 252.354 2.675 0 1 CFAF O=[S@@]1c2ccccc2SN1CCc1ccncc1 5939762 ZPUJJHULUHZXNR-SFHVURJKSA-N 276.386 2.670 0 1 CFAF COc1cc(C(=O)c2cccc(N)c2)cc(OC)c1OC 26574461 KNUNJKODSUTCGZ-UHFFFAOYSA-N 287.315 2.526 0 1 CFAF COc1cc(C=O)c(C(=O)O)c2c1CC1(CCCCC1)O2 26647516 DBOYMJAMYBUTPE-UHFFFAOYSA-N 290.315 2.844 0 1 CFAF CC(C)(C(=O)NCCc1ccccc1)c1ccccc1N 27205791 YIVQGJKWAWYSER-UHFFFAOYSA-N 282.387 2.905 0 1 CFAF CCN(CC)c1nc(N(C)C)c2cc(OC)ccc2n1 1865046 WBYOTUXDQSMEQS-UHFFFAOYSA-N 274.368 2.551 0 1 CFAF CCCCNc1ncnc2c1nc1n2CCCCC1 6932602 SOBIBXAVICWOHT-UHFFFAOYSA-N 259.357 2.765 0 1 CFAF COC(=O)[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccccc1)CN32 100912906 XTYJQBUILMRWGE-HPRNNXPRSA-N 283.371 2.726 0 1 CFAF COC[C@H]1CCN(CCCc2nc3ccc(F)cc3[nH]2)C1 20211449 REXYOQLSTJQYGA-LBPRGKRZSA-N 291.370 2.603 0 1 CFAF CCc1nn(C)c(-c2nnc(C(F)(F)F)o2)c1Cl 34400170 YZOZBMFAALMDDS-UHFFFAOYSA-N 280.637 2.705 0 1 CFAF Cc1ccc(-c2nc(Cn3nc(N)cc3C)co2)cc1 72183658 HXJRPTIHVWUMAV-UHFFFAOYSA-N 268.320 2.785 0 1 CFAF C/C1=C\CC[C@H](C)[C@@H](C)OC(=O)CC[C@](C)(O)/C=C/[C@@H]1O 139035799 YFBAYNVMPAOPKZ-VKBRLULNSA-N 296.407 2.743 0 1 CFAF Cc1ccc2c(c1)nc(N)n2C[C@H](O)c1ccccc1 45195998 NTEYKSKXVSABKS-HNNXBMFYSA-N 267.332 2.661 0 1 CFAF Cc1c(CC(=O)O)cccc1-c1ccn(C(F)F)c(=O)c1 45358499 DIYJQUPTYJFNLF-UHFFFAOYSA-N 293.269 2.846 0 1 CFAF CCc1ccc2c(c1)C(=O)[C@@]1(OC(=O)c3ccccc31)O2 95590031 OMEZOSHSJBXCSJ-QGZVFWFLSA-N 280.279 2.848 0 1 CFAF Cc1cc2cc(NC(=O)c3cccnc3N)ccc2n1C 618010046 ONWZSJPJMNAEGY-UHFFFAOYSA-N 280.331 2.716 0 1 CFAF CN(C)C(=O)c1ccc2nc(C(C)(C)Cl)[nH]c2c1 587009076 UUWDKMGOWKGJOY-UHFFFAOYSA-N 265.744 2.739 0 1 CFAF Cc1c(NC(N)=O)cccc1-c1nc2c(C)ccnc2[nH]1 587238639 FADATHYHGHSGOS-UHFFFAOYSA-N 281.319 2.732 0 1 CFAF N=c1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2c[nH]1 587161424 NSOGWSSZUCZUGA-WDEREUQCSA-N 268.295 2.781 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(Cc3ccccc3C1=O)O2 587406449 HQCPNVVQEBEDFN-GOSISDBHSA-N 293.322 2.720 0 1 CFAF Nc1cccc(O)c1-c1nc2cc(F)cc(F)c2[nH]1 587249703 IBXCDJCXKNUSCK-UHFFFAOYSA-N 261.231 2.796 0 1 CFAF C[C@@H](CO)c1ccc2c(c1)C(=O)c1ccccc1CO2 169318598 UCVZPCXWFOJWTC-NSHDSACASA-N 268.312 2.906 0 1 CFAF CCC(=O)C[C@@]1(C(F)(F)F)NCCc2ccc(O)cc21 963354339 WHYUJXVPSKGPMV-CYBMUJFWSA-N 287.281 2.665 0 1 CFAF c1cc(CC2CCC2)c2c(c1)N1CCNC[C@@H]1CC2 1772588383 LABWPGUAXBMYED-HNNXBMFYSA-N 256.393 2.754 0 1 CFAF CO[C@H]1[C@H](OC)c2c(ccc3ccc(=O)oc23)OC1(C)C 5963933 DDIJCQQECYDBJB-CABCVRRESA-N 290.315 2.667 0 1 CFAF COc1c(O)c2c(c(O)c1C(C)=O)C[C@@H](C(C)C)CO2 14691916 JHOZYLIDZVJHSD-SECBINFHSA-N 280.320 2.516 0 1 CFAF Nc1c(C(=O)O)ncnc1-c1ccc(Cl)c(Cl)c1 206204194 WYAXHDMXZUDVKK-UHFFFAOYSA-N 284.102 2.731 0 1 CFAF O=C1NN=C(c2ccc(Cl)cc2)[C@@H]1Oc1ccccc1 101879902 QYYHJSDRBRPOLK-AWEZNQCLSA-N 286.718 2.622 0 1 CFAF O=C1NCC[C@@H]2c3cc(OCc4ccccc4)ccc3N[C@@H]12 28820149 IWAQNTFYPGUTLP-RHSMWYFYSA-N 294.354 2.663 0 1 CFAF CCC[C@@H]1Nc2cccc([C@@H]3C[C@H]3CNC(C)=O)c2O1 28224455 VUJKACBPUKWALD-NJZAAPMLSA-N 274.364 2.857 0 1 CFAF O=C1NC(=O)[C@H](Oc2ccc3ccccc3c2)S1 29215817 ISGMBGUHJMWOFW-GFCCVEGCSA-N 259.286 2.528 0 1 CFAF O=C1c2ccccc2-c2c3c(cc4c2[C@H]1NC=C4)OCO3 2356542132 UUXILKDYTNRSMT-OAHLLOKOSA-N 277.279 2.894 0 1 CFAF CC(=O)OC=C(C)[C@@H]1CC[C@H](C)[C@H]1COC(C)=O 2356608765 UGSHXVXFFPLXBZ-QCZZGDTMSA-N 254.326 2.679 0 1 CFAF COC1=C(O)C2=Cc3ccccc3C(=O)[C@H]2C(O)=C1OC 2356680238 AGBIQQPHDLKSNN-NSHDSACASA-N 286.283 2.728 0 1 CFAF COC(=O)C1=CCC[C@H]([C@]2(C)CC[C@@H](C(C)(C)O)O2)C1 2356780777 GLZYRKYVXBYFCI-XEZPLFJOSA-N 282.380 2.595 0 1 CFAF Cc1ccc(-c2ccc(CP(=O)(O)O)nc2)cc1 72109642 QXSHPIBCVDUCCU-UHFFFAOYSA-N 263.233 2.735 0 1 CFAF O=CN(Cc1ccccc1-c1ccccc1)[C@H]1CCNC1 40980677 HYXUARRYTJMRKQ-KRWDZBQOSA-N 280.371 2.674 0 1 CFAF CN1C(=O)CC[C@]2(C)c3c(c4cc(O)ccc4n3C)CC[C@H]12 40564396 GCSABMRAHKPUAM-YJBOKZPZSA-N 298.386 2.709 0 1 CFAF CC(=O)C[C@H]1C=C(c2ccc(Br)cc2)C(=O)O1 45370903 DAWNXSDCOMDLGI-NSHDSACASA-N 295.132 2.737 0 1 CFAF C[C@@H]1CC[C@@H](O)CCCCc2cc(O)cc(O)c2C(=O)O1 85995855 DWMVQHSGOMTURZ-PWSUYJOCSA-N 294.347 2.511 0 1 CFAF biogenic,in-vitro CCc1ncc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587436959 VCVROJNGKIBGOG-SJKOYZFVSA-N 296.326 2.536 0 1 CFAF Nc1cc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2cc1N 586878213 BDYIYVCDJMTOHR-AATRIKPKSA-N 294.314 2.596 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)nn(C)c1C)O2 587392566 ZOPVZHRUTNFYAB-KRWDZBQOSA-N 299.374 2.808 0 1 CFAF CCOc1ccc(OCC)c(-c2nc3ncc[nH]c-3n2)c1 587779017 WUHUMKXEEASITN-UHFFFAOYSA-N 284.319 2.769 0 1 CFAF CC(C)[C@](C)(O)c1nc2cc(C(F)(F)F)cnc2[nH]1 586889367 MSURVBBAHDLRQS-NSHDSACASA-N 273.258 2.840 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)nc1)O2 587386120 IHJOMVQHGHBGOX-ZDUSSCGKSA-N 272.279 2.818 0 1 CFAF N[C@H]1CC[C@@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587246690 LLASUQOLIQISRT-KBPBESRZSA-N 291.354 2.999 0 1 CFAF CCCC1(c2nc3cc(C(=O)OC)ncc3[nH]2)CCC1 586877924 WZRICOIEYOYDDA-UHFFFAOYSA-N 273.336 2.966 0 1 CFAF Nc1ccc(F)c(Cc2nc3ccnc(Cl)c3[nH]2)c1 587141125 MFUXFXPMTCJEEL-UHFFFAOYSA-N 276.702 2.923 0 1 CFAF O=C1c2ccc(O)cc2[C@H]2C[C@@H]1c1cc(O)ccc1C2=O 13588101 XVWKIRRDXMJHEC-HUUCEWRRSA-N 280.279 2.748 0 1 CFAF CCc1cc(Cc2ccc(N)nc2N)cc(CC)c1O 27299252 ZIKIWUNIDZNRMQ-UHFFFAOYSA-N 271.364 2.667 0 1 CFAF O[C@H](c1ccc(Cl)cc1)[C@@H]1CC2CCN1CC2 29546586 OXTQZTKEXBFDAA-UONOGXRCSA-N 251.757 2.858 0 1 CFAF O=C(O)Cc1ccc([C@H](CC(=O)O)c2ccccc2)cc1 39247332 ODCGCIBAQJGESC-OAHLLOKOSA-N 284.311 2.920 0 1 CFAF Cc1cc(Br)c(NC2=NCCN2)c2cc[nH]c12 1911572535 CVOMHEFHGHEILK-UHFFFAOYSA-N 293.168 2.610 0 1 CFAF CCC(CC)C(=O)NC[C@@H]1C[C@H]2CCN1C[C@@H]2CC 2356320987 DZMBFUFMIDGEAW-ZNMIVQPWSA-N 266.429 2.659 0 1 CFAF COc1ccc(C[C@@H]2NCCc3cc(OC)c(O)cc32)cc1 6484346 XIEZJSPLHXEHSK-INIZCTEOSA-N 299.370 2.839 0 1 CFAF COc1cc(-c2cc([C@H]3C[C@H]4CC[C@H]3N4)cnc2F)ccn1 103249595 DVKGEUMVNRWJTP-UMVBOHGHSA-N 299.349 2.899 0 1 CFAF Cn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccncc1 28524249 QAJCIVISOURGNU-UHFFFAOYSA-N 270.263 2.846 0 1 CFAF COCCCN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C 100796889 ZWFGVPJAZPYOFO-VHSSKADRSA-N 289.419 2.953 0 1 CFAF COC(=O)[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccccc1 100912908 XTYJQBUILMRWGE-PUCFWQPXSA-N 283.371 2.726 0 1 CFAF Cc1ccc2c(c1)C(=O)N(c1ccc(N(C)C)cc1)C2=O 29038381 HUMHLYPAZIFGJR-UHFFFAOYSA-N 280.327 2.862 0 1 CFAF OCc1cccc(-c2csc([C@H](O)c3ccco3)n2)c1 61902340 SVMHTNATKUIASA-CQSZACIVSA-N 287.340 2.977 0 3 CFAF CCCc1nc(C)c2c(NC)nc3ccc(OC)nc3n12 49053560 MAOBVHVBTOQFTB-UHFFFAOYSA-N 285.351 2.589 0 1 CFAF CCc1ccc2c(c1)O[C@@]1(OC(=O)c3ccccc31)C2=O 95590869 FEHGYSQQDBWUGQ-KRWDZBQOSA-N 280.279 2.848 0 1 CFAF Cc1ncsc1[C@@H](CO[N+](=O)[O-])c1ccccc1 95557246 BFKPJKKIGBBBBI-NSHDSACASA-N 264.306 2.792 0 1 CFAF c1cc2cc(-c3cn([C@@H]4CN5CCC4CC5)nn3)ccc2[nH]1 653845319 FBFVECUFQXIPMF-QGZVFWFLSA-N 293.374 2.693 0 1 CFAF Cc1cc(F)ccc1-c1ccc2c(O)nc(O)nc2n1 587368413 OTCKKYRWNWHILD-UHFFFAOYSA-N 271.251 2.551 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccnc(C)c1)O2 587394059 PYUMXRXPMMIGMC-HNNXBMFYSA-N 268.316 2.987 0 1 CFAF COc1ccnc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587436675 UBSGGHYLMSPVGT-PXAZEXFGSA-N 297.310 2.588 0 1 CFAF CCCCNC(=S)n1ncc2ccc(Cl)cc2c1=O 587654514 KRPMGBOANKMGJC-UHFFFAOYSA-N 295.795 2.573 0 1 CFAF C[C@H]1C[N@]1[P@](=O)(Oc1ccccc1)[N@@]1C[C@H]1C 1857623575 JCBGYJPACKELTI-VNQAHTJGSA-N 252.254 2.582 0 1 CFAF Oc1ccc2c(c1)O[C@@H](CNCCc1ccccc1)CC2 12356040 CPHLCRCURDQKDY-QGZVFWFLSA-N 283.371 2.918 0 1 CFAF Oc1cc(CCc2ccccc2)nn1-c1ccccn1 1911584793 PYXQCMGZXSLTHA-UHFFFAOYSA-N 265.316 2.758 0 1 CFAF CNC(=S)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccc[nH]1 28653513 DCTYFNRBLVWNQJ-HNNXBMFYSA-N 298.415 2.979 0 1 CFAF c1cc(NC2CCNCC2)nc(-n2cnc3ccccc32)c1 29045406 LRSZMQXNAOZOAL-UHFFFAOYSA-N 293.374 2.584 0 1 CFAF CCCOc1cc(OC)c(C[C@@H](N)CC)cc1OC 29390090 NMDBQRGHZUWCJF-LBPRGKRZSA-N 267.369 2.772 0 1 CFAF C[C@@H]1[C@H](O)C[C@@]23C[C@H]1[C@](C)(C(=O)O)[C@@H]2CC[C@H]3C 2356689576 OMLUGBLYLSZBOX-HGHDYTBCSA-N 252.354 2.530 0 1 CFAF CCNC(=O)[C@@]1(C)CCCN1Cc1ccccc1Cl 61905941 UIRZQQRBKBMEOO-OAHLLOKOSA-N 280.799 2.831 0 3 CFAF CNc1nc(N)nc2nc(-c3ccccc3Cl)ccc12 34845942 VKLRFDPXADEWFL-UHFFFAOYSA-N 285.738 2.969 0 1 CFAF O[C@H]1N[N+](C23CC4CC(CC(C4)C2)C3)=NN1c1ccccc1 45338452 JNJMMWZYUDUZAK-AIWVUANBSA-N 299.398 2.636 0 1 CFAF CN(C)C(=O)Cn1nc(-c2ccccc2)c2ccccc21 95771555 YWLVCFCNOYRABQ-UHFFFAOYSA-N 279.343 2.792 0 1 CFAF Fc1ccc(CSc2nnc(-c3cnccn3)o2)cc1 95575609 YFFBGGSTRHCYDH-UHFFFAOYSA-N 288.307 2.958 0 1 CFAF CN1CCc2cc(N)c(O)cc2[C@@H](c2ccccc2)C1 299832744 QZMSOIXRJNNDHS-OAHLLOKOSA-N 268.360 2.594 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1nc(C)co1)[C@@H](C2)C3=O 587436167 MUBHZXABIGBFCU-MEDUHNTESA-N 285.299 2.654 0 1 CFAF CCOC(=O)c1ccc2nc(-c3cccc(CO)c3)[nH]c2c1 586895315 WVYBPFOTOMTEQP-UHFFFAOYSA-N 296.326 2.899 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1OCCC1(C)C)O2 587412801 PBXGRXDIKWQNGT-HIFRSBDPSA-N 275.348 2.726 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(CCC(C)=O)[C@@H](C2)C3=O 587444954 XQWGNBIRTLLVHQ-BLLLJJGKSA-N 274.316 2.571 0 1 CFAF O=C1C[C@@](CO)(C2CC2)Oc2c1ccc1c2CCCC1 587528542 BKUVSKRUNFPHTO-QGZVFWFLSA-N 272.344 2.672 0 1 CFAF CCn1ccnc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587388720 AAWIJQZQAGUNGT-ZDUSSCGKSA-N 271.320 2.500 0 1 CFAF Oc1nc(O)c2ccc([C@@H]3C[C@H]4C=C[C@H]3CC4)nc2n1 587561797 LTNUTNWXOMZTFL-ATZCPNFKSA-N 269.304 2.506 0 1 CFAF COc1cccc(CCc2nc3cc(OC)ncc3[nH]2)c1 587930521 HFDVGKLSOPPZSE-UHFFFAOYSA-N 283.331 2.760 0 1 CFAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2c(Cl)ccnc2[nH]1 587963610 PCGMUYYCOHFIIC-JGVFFNPUSA-N 263.728 2.769 0 1 CFAF COc1ccc2c(c1)[C@@H](c1nccn1C)N(C(C)C)CC2 962093974 UUBBCBATLXPFRE-INIZCTEOSA-N 285.391 2.785 0 1 CFAF Cc1cncc(Cc2ccc(-c3cnn(C)c3)nc2)c1 1772641672 HIZBIFZJECHNAG-UHFFFAOYSA-N 264.332 2.776 0 1 CFAF O=C1COC(c2ccc(/C=C/c3cccc(F)c3)cc2)=NN1 1772618700 TUKIXIRJCDPSNH-SNAWJCMRSA-N 296.301 2.804 0 1 CFAF COc1cc(C(F)(F)F)c(OC)cc1C[C@@H](C)N 13641847 WPGOTSORDNBMHP-SSDOTTSWSA-N 263.259 2.612 0 1 CFAF in-vivo OCc1ccc2c(c1)CCc1cc(CO)ccc1N2 169330454 ZWKJVCLDWPWMLX-UHFFFAOYSA-N 255.317 2.513 0 1 CFAF Cc1ccc([C@H]2c3c(n[nH]c3C)N=C3COC(=O)[C@@H]32)cc1C 1857575559 TYJNOBGMCSRTPQ-GJZGRUSLSA-N 295.342 2.726 0 1 CFAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC(=O)[C@@H]2O 8552348 KJDGFQJCHFJTRH-CRCOGDFISA-N 286.371 2.788 0 1 CFAF Fc1cccc([C@@H]2C=C(c3cccs3)Nc3nnnn32)c1 103970721 VXYSWSSACKGXKB-LBPRGKRZSA-N 299.334 2.930 0 1 CFAF COc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cc1 103297319 OBOMSQSNLUBOEM-UHFFFAOYSA-N 294.236 2.819 0 1 CFAF NC(=O)c1cc2cc(Cc3cccnc3)ccc2o1 29231199 HENHICFTGCTJOF-UHFFFAOYSA-N 252.273 2.518 0 1 CFAF O=C(OC[C@@H]1CCN2CCC[C@@H]12)c1c[nH]c2ccccc12 28569281 FQUPQQRFDMPEMK-LRDDRELGSA-N 284.359 2.809 0 1 CFAF Cc1coc2c1[C@@H]1OC(=O)[C@@H]3CCC[C@H](C2=O)[C@@]31C 2356498652 DKIQWJSYQVPEGA-OFLPOECMSA-N 260.289 2.805 0 1 CFAF CC(=O)O[C@@H]1CC(=O)CCC[C@](C)(O)C=C[C@@H]1C(C)C 2356723766 SXYIXDBXEKNFKO-OAGGEKHMSA-N 282.380 2.641 0 1 CFAF CC(C)=C[C@H]1C[C@H](CC(=O)c2cc(O)ccc2O)C(=O)O1 2356728669 QRWTVFKEWNICIM-PWSUYJOCSA-N 290.315 2.569 0 1 CFAF CC[C@@H](C)Cc1nc2c(cnn2C2CCCC2)c(=O)[nH]1 34125147 CMRWPJDNENEYTL-SNVBAGLBSA-N 274.368 2.823 0 1 CFAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@H]1Cc1ccccc1)N2C 195031676 YHWZJYKIOUHJGH-UGUYLWEFSA-N 273.376 2.501 0 1 CFAF CCOc1ccc(C(=O)Nc2ccc(CN)cc2)c(O)c1 84615628 LSCDASKRTAGEIR-UHFFFAOYSA-N 286.331 2.502 0 1 CFAF N=C(N)Oc1ccc(Sc2ccc(O)cc2)cc1 40846178 CNMNMESGJFXGGA-UHFFFAOYSA-N 260.318 2.816 0 1 CFAF COC[C@H](C)Nc1cc(-c2cccc(C(C)=O)c2)ncn1 82162458 VLUJGKLJMBJGJE-NSHDSACASA-N 285.347 2.793 0 1 CFAF Oc1ccc(-c2cccc(Cn3cncn3)c2)cc1 45391258 JXQUABHBORWNHD-UHFFFAOYSA-N 251.289 2.699 0 1 CFAF Cc1ccc2c(c1)C(=O)[C@@]1(OC(=O)c3ccccc31)O2 95590149 AFJNCTGZNRTOPL-MRXNPFEDSA-N 266.252 2.594 0 1 CFAF COc1nn(-c2ccc(Oc3ccccc3)cc2)c(=O)o1 95554522 YAKCIFSNRAIAJM-UHFFFAOYSA-N 284.271 2.626 0 1 CFAF CO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1ccccc1OC 621473907 WCULOWSYXLDLOZ-KLDSGFLGSA-N 292.360 2.501 0 1 CFAF CN1Cc2cc(O)ccc2N(C)[C@H]1c1ccccc1 653724602 LFEVRAXGBSBRNX-INIZCTEOSA-N 254.333 2.973 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1(C)CCOCC1)O2 587413933 UGXNGHVZKRGPKX-AWEZNQCLSA-N 275.348 2.728 0 1 CFAF Cc1ccnc2[nH]c(-c3cc(C(F)(F)F)nn3C)nc12 587118660 SZERHRUDUVXHCA-UHFFFAOYSA-N 281.241 2.686 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CC[C@H]1CCCO1)O2 587408024 GJLPGEOCHLYFKA-VXGBXAGGSA-N 275.348 2.870 0 1 CFAF CCc1nc(C)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[nH]1 587438662 PQFLEARVWMVJCM-PIGZYNQJSA-N 298.342 2.778 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncccc1F)O2 587385408 NZMATEOLIUAFCY-CYBMUJFWSA-N 272.279 2.818 0 1 CFAF Nc1ncnc2[nH]c(Cn3ccc4ccc(Cl)cc43)nc12 587079882 LOWYPEOVAVHLFH-UHFFFAOYSA-N 298.737 2.592 0 1 CFAF CCc1ncc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587436865 VCVROJNGKIBGOG-PXAZEXFGSA-N 296.326 2.536 0 1 CFAF COc1ccc(-c2nc3cccnc3[nH]2)c(OC)c1C 587785978 ABQPBKGNAPTTIU-UHFFFAOYSA-N 269.304 2.951 0 1 CFAF COc1cc(C(=O)N2CCCCC2)nn1-c1ccccc1 169347668 QGZFFPIBQVUJFB-UHFFFAOYSA-N 285.347 2.507 0 1 CFAF CCCCCC[C@@H](O)c1c(O)ccc(O)c1CO 169352302 UAIOXSJSOUCTHE-GFCCVEGCSA-N 254.326 2.594 0 1 CFAF C[C@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)OCC4=C3C=C[C@]21C 169366579 NZWFKVWCAKLIHV-PLYYQAHHSA-N 286.371 2.913 0 1 CFAF COc1cc(/C=C/C=C/C(=O)N2CCCCC2)ccc1O 1765258 IUGIGWWOEYFTDM-FCXRPNKRSA-N 287.359 2.983 0 1 CFAF Cn1cc(-c2ccc3nnc(-c4cccc(O)c4)n3c2)cn1 1857597824 BSWJPMDKKYKNKV-UHFFFAOYSA-N 291.314 2.502 0 1 CFAF NC(=O)c1ccc(-c2cncc(-c3cccnc3)c2)cc1 1857612640 PLJSHIDBWMPZCP-UHFFFAOYSA-N 275.311 2.910 0 1 CFAF CO[C@]1(C)CCc2c(cc(O)c3c2O[C@@](C)(OC)CC3)O1 1857749889 ZAOJFAXLHIBCCY-JKSUJKDBSA-N 294.347 2.767 0 1 CFAF CC(C)(O)CCC[C@]1(C)OC(=O)c2cc(O)ccc21 2356409211 CCQGRYZTOPBJQP-HNNXBMFYSA-N 264.321 2.719 0 1 CFAF Cc1noc(C)c1-c1nccc(N(C)Cc2ccco2)n1 4264765 PVHOVGGARBQLPO-UHFFFAOYSA-N 284.319 2.978 0 1 CFAF C[C@]12CC[C@@H]3c4ccc(N)c(=O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 59199141 YGUDSHNFKIPBGA-GVYRHCHYSA-N 299.414 2.846 0 1 CFAF CC1(C)CCC[C@H](NC(=S)Nc2ccc(N)nc2)C1 26570169 XQPJFAXNTVMTJF-JTQLQIEISA-N 278.425 2.919 0 1 CFAF CNC(=S)C1=CC(C)(C)Oc2ccc(OC)cc21 29401911 LEECSBIWYUBSKS-UHFFFAOYSA-N 263.362 2.796 0 1 CFAF O=C(O)c1cccnc1-n1ccc(-c2ccc(F)cc2)n1 117717063 NLHRMZKHFKJPNO-UHFFFAOYSA-N 283.262 2.772 0 1 CFAF OC[C@@H]1CCCN1CCc1cccc2ccccc12 20916375 ZYFNUZRWINRIMR-INIZCTEOSA-N 255.361 2.839 0 1 CFAF Cc1ccnc(Nc2ncnc3cc4c(cc23)OCCO4)c1 96914120 RRVFCNDOKXDTQL-UHFFFAOYSA-N 294.314 2.848 0 1 CFAF Cc1ccc2nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c2n1 587158824 XXEPGGRHJMBVGL-BZNIZROVSA-N 282.322 2.747 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccn(CC3CC3)n1)O2 587392663 VAFAXQNZWCEKDG-INIZCTEOSA-N 297.358 2.890 0 1 CFAF CC[C@H]1OCCC[C@H]1c1nc2cc(OC)ncc2[nH]1 586914269 VAKMJMVVBIIZPV-BXKDBHETSA-N 261.325 2.639 0 1 CFAF COc1cc2nc(-c3c(N)cccc3O)[nH]c2cc1C 587249144 CLOHQAYIWNGPEL-UHFFFAOYSA-N 269.304 2.835 0 1 CFAF O[C@H]1CC[C@@H](c2nc3c(F)cnc(Cl)c3[nH]2)CC1 586899890 VKTDJPMPYQHVRK-KNVOCYPGSA-N 269.707 2.769 0 1 CFAF O=C(/C=C/c1nc2cnccc2[nH]1)Nc1ccccc1 587243742 HTBIILJHMHMRES-VOTSOKGWSA-N 264.288 2.610 0 1 CFAF COc1cnc(-c2nc3c(C)cncc3[nH]2)cc1Cl 587064909 QBFRBSFWPHPDMH-UHFFFAOYSA-N 274.711 2.990 0 1 CFAF OCc1ccc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc1 586895439 HJGCVKICWFBFQJ-UHFFFAOYSA-N 294.236 2.531 0 1 CFAF COc1cccc(-c2nc3c(Cl)ccnc3[nH]2)c1O 587787368 RWFQATBQKUQWNW-UHFFFAOYSA-N 275.695 2.993 0 1 CFAF CCOC(=O)[C@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 587399185 IWEGJWNQNWFTDW-MRXNPFEDSA-N 291.347 2.500 0 1 CFAF OCc1cccc(-c2nc3cncc(Cl)c3[nH]2)c1 586895044 MPZLYSVXHHDLOR-UHFFFAOYSA-N 259.696 2.771 0 1 CFAF O=C(O)CSc1ccnc2cc(F)cc(F)c12 957647271 FALULIBCQXEILB-UHFFFAOYSA-N 255.245 2.690 0 1 CFAF Oc1ccc2c(c1)[C@H](C1=Cc3cccc(O)c3OC1)NCC2 963329780 TXUJZXXXSPBILF-KRWDZBQOSA-N 295.338 2.761 0 1 CFAF CO[C@H](C)[C@H](N)c1nc2cc(C(C)(C)C)ccc2[nH]1 143864205 PUKGWXVGTJQQCL-RNCFNFMXSA-N 261.369 2.895 0 1 CFAF CCCCNc1nc(N)nc2ccn(Cc3ccncc3)c12 1772579222 GJGJBVGXOBHHEM-UHFFFAOYSA-N 296.378 2.669 0 1 CFAF Cn1c(C(=O)NC[C@@H]2CCCO2)cc2sc(Cl)cc21 5036549 VKZJFSUXSKLZNT-QMMMGPOBSA-N 298.795 2.802 0 1 CFAF CC(=O)Nc1ncc(SCc2ncc(C)o2)s1 12354770 AVKWOPNQHZBNAA-UHFFFAOYSA-N 269.351 2.690 0 1 CFAF O=C(O)Cc1ccc2c(c1)Oc1ccccc1NC2=O 26012900 LTTAZIZRJHHLKU-UHFFFAOYSA-N 269.256 2.672 0 1 CFAF CN1N=C(c2ccncc2)O[C@H]1c1cccc(F)c1 6002739 DYWOOPBDKMDOHC-AWEZNQCLSA-N 257.268 2.543 0 1 CFAF COc1ccc(-c2cccnc2)c2c1NC(=O)CC2 26491032 VVLKBGXEVGJKKI-UHFFFAOYSA-N 254.289 2.642 0 1 CFAF CC(=O)n1oc(=O)c(-c2ccc(F)cc2)c1-c1ccncc1 29054905 PPDFJNPPTUMEPV-UHFFFAOYSA-N 298.273 2.970 0 1 CFAF CC(=O)O[C@@H]1[C@H](C(C)C)CC[C@@]2(C)[C@@H]1[C@@](C)(O)CC[C@H]2O 2356598417 PGMDYJUEXIFZJG-WYJHLCISSA-N 298.423 2.512 0 1 CFAF O=c1[nH]c2ccccc2n1-c1nc2ccc(F)cc2o1 26655245 JSRKYARWMIOKOB-UHFFFAOYSA-N 269.235 2.599 0 1 CFAF CC(C)CNC(=O)C(C)(C(F)(F)F)C(F)(F)F 3124580 PYJMTEOOTVJAQZ-UHFFFAOYSA-N 265.197 2.890 0 1 CFAF biogenic CN1C=CN(COCc2ccc(F)cc2)/C1=C/N=O 210946114 QDJDSDJXENRAGY-MDWZMJQESA-N 263.272 2.584 0 1 CFAF CCCCOc1ccc([C@@H]2CNC(=O)CS2)cc1 45356972 ATDGSQDDAVNPIE-ZDUSSCGKSA-N 265.378 2.770 0 1 CFAF in-vivo COC(=O)C1=C(c2nc3ccccc3o2)C[C@H]2CC[C@@H]1O2 84604080 JHGBEMIRZAHFKB-RNCFNFMXSA-N 285.299 2.706 0 1 CFAF CCCCC/C=C\C/C=C\CCNS(=O)(=O)O 138284968 DLEYFILNNFMARG-HZJYTTRNSA-N 261.387 2.852 0 1 CFAF in-vitro N=C(N)c1cccc(-c2cc3ccc(C(=N)N)cc3o2)c1 40410394 ZZPJPUVMRJRWRH-UHFFFAOYSA-N 278.315 2.668 0 1 CFAF C/C1=C\[C@@H](O)[C@H]2[C@H](C/C(C)=C/CC1)OC(=O)[C@@H]2C 238770509 AFDPKUTUPAAEAI-CHVAZGQZSA-N 250.338 2.602 0 1 CFAF biogenic COc1cc2oc(=O)c(Cc3ccc(O)cc3)cc2cc1O 140612785 PDAYJBSQNNWAGZ-UHFFFAOYSA-N 298.294 2.804 0 1 CFAF COc1ccc2nc(C[C@@H]3CCC(=O)[C@@H]3C)[nH]c2c1 587963727 REXYMGWDVBYDBG-ZJUUUORDSA-N 258.321 2.729 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3nn(C)cc31)O2 587389927 DREHMELTMHEKRV-QGZVFWFLSA-N 297.358 2.508 0 1 CFAF Sc1nnc(SCc2nc3ccccc3[nH]2)s1 587024544 CCJIUKUHLXWCMW-UHFFFAOYSA-N 280.403 2.995 0 1 CFAF Cc1ccc([C@]2(CN)CC(=O)c3cc(C)cc(N)c3O2)cc1 587389346 JYZVOHRMCMKNKY-GOSISDBHSA-N 296.370 2.705 0 1 CFAF CN1CC[C@H]2CCC[C@@H](NC(=O)c3ccccc3)[C@H]2C1 5699807 IJCPGHZBVADIGP-VNQPRFMTSA-N 272.392 2.537 0 1 CFAF CN(C#N)[C@@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1 169321581 PTEPTWWYVSUDDS-WBMJQRKESA-N 280.375 2.642 0 1 CFAF CCOc1ccc2cc(NC(=O)C3CC3)ncc2c1 169700021 LCKAZURGBSUWHW-UHFFFAOYSA-N 256.305 2.982 0 1 CFAF CC1(C)C/C=C\CC[C@@H](O)[C@H](O)CCC(C)(C)C1=O 5538582 BEWPNOHISJLCQR-WFMXKNRHSA-N 268.397 2.850 0 1 CFAF COc1ccc(-c2noc([C@@H]3CN4CCC3CC4)n2)cc1 3780332 ZZNJTCSWKZTREI-CQSZACIVSA-N 285.347 2.554 0 1 CFAF Cc1ccc2c(c1)N1C(=O)OC[C@H]1CCN(CC1CC1)C2 2356290041 HUFBEKVAIYBZDF-OAHLLOKOSA-N 286.375 2.936 0 1 CFAF COC(=O)[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccsc1 100969860 SLCCHPKEJRCPRS-UMIUTZSFSA-N 289.400 2.787 0 1 CFAF OCC[C@@]12N[C@@H](Cc3ccccc31)[C@H]1CCCC[C@H]12 58482410 NDYRQXAREGWAOX-PQEBFOHHSA-N 257.377 2.599 0 1 CFAF C[C@@H](O)[C@@H]1C[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN(C2)[C@H]31 101694296 TVPHSOXWTLOHCG-CPNIXPECSA-N 296.414 2.899 0 1 CFAF CCCN(CCC)c1nc2ccccc2n2cnnc12 26376811 QSBXMSXWWDRENW-UHFFFAOYSA-N 269.352 2.904 0 1 CFAF CCOC(=O)C1=C(O)/C(=C\c2cccs2)N=C1C 101490869 VXYOBYSQSRZBQJ-JXMROGBWSA-N 263.318 2.939 0 1 CFAF CC(=O)C[C@@H]1c2ccccc2N=C(n2cncn2)N1C(C)C 103178085 XMAKRNQHQYYURX-OAHLLOKOSA-N 297.362 2.558 0 1 CFAF CC1(C)C[C@](C)(C(N)=O)c2cn(-c3ccccc3)c(C=O)c21 28013813 GXCVQHYPQVVGNU-SFHVURJKSA-N 296.370 2.714 0 1 CFAF CCOC(=O)[C@@]1(C)CCCN1C(=O)c1cc(F)ccc1C 61902779 BIWXKRSXIJFQEL-MRXNPFEDSA-N 293.338 2.692 0 3 CFAF CC1(C)Nc2c(ccc(C(=O)c3ccccc3)c2O)O[C@@H]1O 28120344 GUIKNCXYMXZLDB-INIZCTEOSA-N 299.326 2.525 0 1 CFAF c1ccc(Oc2nc3ccsc3c3nnnn23)cc1 84689627 PMVCYHHMSUVYJF-UHFFFAOYSA-N 269.289 2.526 0 1 CFAF COc1cc(O)cc2c1OC[C@H](Cc1ccc(O)cc1)C2 49015315 MLHPTAKYAJXRHC-GFCCVEGCSA-N 286.327 2.900 0 1 CFAF biogenic,in-vitro CC(C)CC(=O)c1c2c(cc3ccc(=O)oc13)OCO2 238773297 CSCIONARVQBHNV-UHFFFAOYSA-N 274.272 2.751 0 1 CFAF NCc1cn(O)nc1-c1ccc(-c2ccccc2)cc1 95598071 BCAGUHVFVFTKBX-UHFFFAOYSA-N 265.316 2.913 0 1 CFAF CN1CC[C@@]23c4c5cccc4O[C@@H]2CCC[C@H]3[C@H]1C5 253733920 HWXKCCDLLDWFIH-SHFYGJNESA-N 255.361 2.746 0 1 CFAF NC(=O)c1sc2cncc(-c3ccccc3)c2c1N 621429364 PWXAIGVNIQBMRL-UHFFFAOYSA-N 269.329 2.644 0 1 CFAF c1cnc2ccc(N3CCN4CCC3CC4)cc2c1 653703964 SMPPDACCYMUANT-UHFFFAOYSA-N 253.349 2.519 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(C)C)nc1)O2 587387190 NWSYYIWAVKCBLX-OAHLLOKOSA-N 297.358 2.745 0 1 CFAF N[C@H](Cc1nc2cccnc2[nH]1)c1ccccc1Cl 587058240 DVRKYLQHZJNAER-LLVKDONJSA-N 272.739 2.854 0 1 CFAF Nc1ccc2oc(-c3nc4cccnc4[nH]3)cc2c1 587252901 RZENHIRGQOTPRN-UHFFFAOYSA-N 250.261 2.953 0 1 CFAF Oc1nc(-c2nc3cc(F)cc(F)c3[nH]2)cs1 587018071 SFDGKVJJESDKTF-UHFFFAOYSA-N 253.233 2.670 0 1 CFAF N=c1[nH]ccc2[nH]c(-c3cc4c(s3)CCC4)nc12 587036686 JPRUDTOVONUDTP-UHFFFAOYSA-N 256.334 2.588 0 1 CFAF Cc1c(F)ccc2nc([C@H]3CC(=O)OC3(C)C)[nH]c12 586907607 IDXPRQSYFLLMPW-MRVPVSSYSA-N 262.284 2.820 0 1 CFAF CCc1ccc2nc(-c3nc(Cl)cnc3N)[nH]c2c1 587086450 KPDQYXRYLZYVFJ-UHFFFAOYSA-N 273.727 2.818 0 1 CFAF Cc1ccc(OCc2nc3cc(N)c(N)cc3[nH]2)cc1 587565515 KTOKQPMHEUIYIF-UHFFFAOYSA-N 268.320 2.615 0 1 CFAF Nc1ccc(/C=C\c2nc3cc(F)cnc3[nH]2)cc1 587251775 NRYKAIKYPZUDPG-UTCJRWHESA-N 254.268 2.850 0 1 CFAF CC(C)=C1C=C(C(=O)O)n2nc(C(F)(F)F)cc2N1 957627737 NTQWJRBTPHJXTF-UHFFFAOYSA-N 273.214 2.547 0 1 CFAF N[C@H](COc1ccc(C2SCCS2)cc1)N=O 957868994 OUPLHVABVMUCDV-JTQLQIEISA-N 270.379 2.595 0 1 CFAF O=C(c1ccccc1)[C@@H](Cc1ccccc1)OC[C@H]1CO1 84403387 BBJQHTPVRVZKSU-IAGOWNOFSA-N 282.339 2.896 0 1 CFAF CC(=O)[C@H]1CCCC[C@@]12NCCc1ccc(O)cc12 963329592 PGILQFLMILZSAA-GDBMZVCRSA-N 259.349 2.512 0 1 CFAF O=C1OC(=C(Br)Br)[C@@H]2CCC[C@H]12 1857760766 HWEHMLZFXACQFH-UHNVWZDZSA-N 295.958 2.918 0 1 CFAF NCC(=O)N1c2ccccc2Sc2ccccc21 5193949 IIQVHKINCMEVON-UHFFFAOYSA-N 256.330 2.775 0 1 CFAF Cc1ncc(CSc2nc3ccccc3[nH]2)c(N)n1 12523657 KWEASXOZJZIFKQ-UHFFFAOYSA-N 271.349 2.536 0 3 CFAF COc1ccc(Nc2cc(OC)c(OC)c(OC)c2)cn1 169309730 HAIDLEJPXFASKB-UHFFFAOYSA-N 290.319 2.860 0 1 CFAF COc1cc(N[C@H](C)CCN)c2nccc(C)c2c1 169322714 DZHWWABMYGCQOA-LLVKDONJSA-N 259.353 2.701 0 1 CFAF O=C(Nc1nc2ncccn2c1-c1ccccc1)C1CC1 203465851 WWJNEIBUMXBUFA-UHFFFAOYSA-N 278.315 2.745 0 3 CFAF O=C1CN(Cc2ccccc2)C(=S)N1c1ccc(O)cc1 1857640733 UEDYPVLKFVUTHA-UHFFFAOYSA-N 298.367 2.526 0 1 CFAF COc1ccccc1[C@@H](O)COC(=O)/C=C/c1ccccc1 1857643739 GQCXJNMZBGZDGA-PCUGXKRQSA-N 298.338 2.985 0 1 CFAF CC(=O)O[C@@H]1CC(C)=CCCC(C(=O)O)=C[C@H]2C[C@H]21 2356476476 JVAVVXRDSNKYPD-BFHYXJOUSA-N 264.321 2.695 0 1 CFAF C[C@]12CC[C@@H]3[C@@H]4CC[C@H](O)C[C@@H]4[C@H](O)C[C@@H]3[C@@H]1CCC2=O 2356390056 PDQDPBXUHQIIKF-WFSJYXFNSA-N 292.419 2.540 0 1 CFAF O=C(Nc1ccccc1)C(=O)Nc1c[nH]c2ccccc12 1911580318 FUCIIWPKOULTBE-UHFFFAOYSA-N 279.299 2.745 0 1 CFAF CCC[C@@H]1S/C(=C/c2nc3ccccc3[nH]2)NC1=O 103234158 VVXZPLQFCWCGBS-ZWSXMNCCSA-N 273.361 2.893 0 1 CFAF O=C1c2ccccc2O[C@H](c2cccnc2)[C@@H]1n1ccnc1 27326366 GYKYMKFFXFAOFE-NVXWUHKLSA-N 291.310 2.836 0 1 CFAF CO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1sccc1C 103015737 ROKDDYQERWFOHT-FJUNDMEASA-N 282.390 2.863 0 1 CFAF OCCc1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O 26380387 NBLXRWRUNDGPDS-MAUKXSAKSA-N 284.355 2.506 0 1 CFAF C[C@H]1[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@]2(CCN3C)CC(=O)[C@@H]1C 29218379 UXGGGGCNEATCRR-RJSPKCHJSA-N 299.414 2.751 0 1 CFAF C[C@@H](c1ccc(O)cc1)[C@@H](O)c1cc(O)cc(O)c1 2356673208 JAZXHWIGGFTZDU-BJOHPYRUSA-N 260.289 2.641 0 1 CFAF C[C@@H]1CCC(=O)[C@@H]2Cc3occ(C(=O)O)c3C[C@]12C 2356727595 QACYOCDXHAPSDZ-OTDPEBBPSA-N 262.305 2.698 0 1 CFAF CC1=c2[nH]c3ccccc3c2=C2CCC(C)(C)C[C@@H]2N1C 2356823001 GHWWIADFNKCHFK-INIZCTEOSA-N 280.415 2.971 0 1 CFAF C[C@H](N)C1CCC(C(=O)Nc2ccnc3[nH]ccc23)CC1 73354911 DWTNLZZEPSCAIH-UNXYVOJBSA-N 286.379 2.655 0 1 CFAF COC[C@@H](C)NC(=O)c1cn(C(C)(C)C)c2ncccc12 72323126 OMGHGKUIVVMDJX-LLVKDONJSA-N 289.379 2.556 0 1 CFAF N=C(N)c1cccc(-c2cc3cc(C(=N)N)ccc3o2)c1 36375154 DBPVIEBPURYAMT-UHFFFAOYSA-N 278.315 2.668 0 1 CFAF c1ccc2c(c1)nc1n2[C@@H](c2c[nH]c3ccccc23)NNC1 84712678 BFUXXOKOCDBLCT-KRWDZBQOSA-N 289.342 2.672 0 1 CFAF CC(C)[C@H]1CC=C(C(=O)O)[C@@H]2CCC(CO)=C[C@@H]21 49052001 YHQBOWLIXXWZPY-MBNYWOFBSA-N 250.338 2.618 0 1 CFAF O=C(CC1CCOCC1)c1cc(Oc2cncnc2)ccn1 96178182 AOSNGQUQPUDVGT-UHFFFAOYSA-N 299.330 2.663 0 1 CFAF O=C1N[C@@H](c2ccc(Cl)cc2)Nc2ncccc21 473088659 JBJHRALZMBCUCU-NSHDSACASA-N 259.696 2.589 0 1 CFAF Nc1ncnc2[nH]c(-c3ccc(C(F)(F)F)cc3F)nc12 587108981 FFDFZYYORYAZKT-UHFFFAOYSA-N 297.215 2.760 0 1 CFAF CCCC/C=C\c1nc2ccc(C(=O)OC)nc2[nH]1 587964780 CERZWVVKJXRRRK-SREVYHEPSA-N 259.309 2.948 0 1 CFAF COc1cccc2nc(-c3cccc(CO)c3)[nH]c12 586895340 XGZIKKDOGYGEQY-UHFFFAOYSA-N 254.289 2.731 0 1 CFAF O=C(O)/C=C/C=C/c1nc2c(ccc3ncccc32)[nH]1 587966247 AULNGKKLUPAEHJ-IJIVKGSJSA-N 265.272 2.765 0 1 CFAF CN[C@H](c1cccnc1)c1nc2cccc(C)c2[nH]1 587227540 ZIXDJHSDXQMQTG-CQSZACIVSA-N 252.321 2.575 0 1 CFAF N=C(N)c1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1 587967372 ODEUYMXXDAGLSU-IQJOONFLSA-N 252.321 2.527 0 1 CFAF Cc1c(Cl)ccc2nc([C@@H](O)C3CCOCC3)[nH]c12 586913200 JUWBNFSDUSOKCX-ZDUSSCGKSA-N 280.755 2.985 0 1 CFAF Cc1ccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(F)c1 587146382 KANWRADWAVKSEI-UHFFFAOYSA-N 294.293 2.653 0 1 CFAF O=C(O)c1ccc(/C=C2\Oc3c(O)cccc3C2=O)cc1 72481711 OIXQSDYDKJXEJE-JYRVWZFOSA-N 282.251 2.707 0 1 CFAF COc1nccnc1[C@H]1c2ccc(F)cc2C[C@H]2CCCN21 963111478 OCSBQBFVKTYKCN-CZUORRHYSA-N 299.349 2.734 0 1 CFAF CC(C)CCOC(=O)C1=C(O)C[C@@]2(O)CCC[C@H]1C2 1857637503 XWOWMUVAMQZQNM-XHDPSFHLSA-N 268.353 2.713 0 1 CFAF Cc1ccc(NC(=O)OCCCc2c[nH]cn2)cc1 13747056 QKINJAZGTQGWJU-UHFFFAOYSA-N 259.309 2.899 0 1 CFAF CCO[C@@H]1OC(=O)C2=C1[C@@H](O)C[C@H]1C(C)(C)CCC[C@]21C 13485679 WWHZNPIYQAOPQX-WPQODPODSA-N 294.391 2.800 0 1 CFAF CN1CC[C@]23CCCC[C@H]2[C@H]1C(=O)c1ccc(O)cc13 13532253 LDVDMWWWDMAYJS-JLJPHGGASA-N 271.360 2.721 0 1 CFAF COc1cccc2c(O)c3c(c(O)c12)[C@@H](C)O[C@H](C)C3=O 14780170 VORNLKKDOSQORZ-HTQZYQBOSA-N 288.299 2.922 0 1 CFAF CN(C)C[C@@H](O)[C@H](Cc1ccccc1)c1ccccc1 169314840 MEPBLVVYTHGDGY-QZTJIDSGSA-N 269.388 2.935 0 1 CFAF CC1=C[C@@H](CC2=CC(=O)O[C@H]2O)[C@@H](C(C)C)CC1 169371270 XSUQCIIWOCZPHC-NJZAAPMLSA-N 250.338 2.807 0 1 CFAF C[C@@H]1C=C2c3cccc4c3[C@H](C[C@H]2N(C)C1)CN4C 29314320 WPQDYRHAUJABQY-XHBSWPGZSA-N 254.377 2.957 0 1 CFAF COCCNc1nc(-c2ccoc2)nc2ccccc12 4266521 AJWZNPHKLAIAJV-UHFFFAOYSA-N 269.304 2.948 0 1 CFAF Cc1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@]3(C)C2=O)c1 59578668 HQFQBZPCZUXJHZ-CXUUEIJPSA-N 267.328 2.697 0 1 CFAF CC(=O)OC[C@@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 29569707 HJKKWIJTYBPLCJ-ZFWWWQNUSA-N 281.783 2.938 0 1 CFAF CCN1CC(=O)N(c2cc(C)c(C)cc2C)C1=S 27751547 LOYBBTWIKKIMSB-UHFFFAOYSA-N 262.378 2.565 0 1 CFAF CCOC(=O)[C@H]1Nc2c(OC)cccc2[C@H]2OCCC[C@H]12 64503916 PVCMGXZBXILJJN-BYCMXARLSA-N 291.347 2.520 0 1 CFAF COc1ccc2c(c1)CCC=C2CCCN1CCNCC1 25986254 OQFOIKSARZMXEY-UHFFFAOYSA-N 286.419 2.710 0 1 CFAF CCC=C1C[C@@H]2CNc3c(OC)cccc3C(=O)N2C1 2356716714 VRTIPIUNHQTBEU-GFCCVEGCSA-N 272.348 2.672 0 1 CFAF CCC/C=C1/OC(=O)C2=C1CC[C@H](C(=O)CCC)[C@H]2O 70450829 RWIPTYNGENPFSY-GWLBWOLESA-N 278.348 2.664 0 1 CFAF biogenic,in-vitro CCCCN1CC[C@]2(C1)O[C@H](OC)Cc1ccccc12 261184454 WXYGKEYRLBEHNW-DLBZAZTESA-N 275.392 2.933 0 1 CFAF O=C1C[C@H](c2ccc(O)cc2)N1c1ccc(O)cc1 299829436 UXSMAPJCCXMMFB-CQSZACIVSA-N 255.273 2.576 0 1 CFAF COc1ccc2nc(-c3ccccc3)c(NCCO)nc2c1 299856148 IELWTRAJTNKBCZ-UHFFFAOYSA-N 295.342 2.710 0 1 CFAF Cc1ccc2c(ccc3nc([C@H](N)[C@@H](C)F)[nH]c32)n1 587122180 BUDQVLKOTRXDLL-PRHODGIISA-N 258.300 2.777 0 1 CFAF Fc1cncc(-c2nc3c(Br)ccnc3[nH]2)c1 587176571 AFWWEQRKSWVNKY-UHFFFAOYSA-N 293.099 2.922 0 1 CFAF Oc1ccc2nc(COc3ccc(F)cc3)[nH]c2c1 587168616 JOXCMUOTJUBXPC-UHFFFAOYSA-N 258.252 2.987 0 1 CFAF COC(=O)C[C@@H]1Cc2nc3cccc4c3c(c2C1)CC4 587215002 XUCLOVLBJRBFBT-JTQLQIEISA-N 267.328 2.611 0 1 CFAF Cc1ccc(C)c2[nH]c([C@H](N)Cc3cscn3)nc12 587029087 HJPBJVNMYMIUTD-LLVKDONJSA-N 272.377 2.879 0 1 CFAF CCOC(=O)c1c(-c2cnn(C)c2)[nH]c2cccc(F)c12 587635122 DMEJTEYCKUVYKU-UHFFFAOYSA-N 287.294 2.884 0 1 CFAF C[C@H](c1ccc(N(C)C)cc1)c1nc2ccnc(O)c2[nH]1 587196104 QQXDDBHOZFKAFW-SNVBAGLBSA-N 282.347 2.881 0 1 CFAF COC(=O)[C@@H](c1cccc(Cl)c1)[C@H]1CCCCN1 13747255 QFEWAERCGCLJNU-OLZOCXBDSA-N 267.756 2.739 0 1 CFAF CC(=O)O[C@@H]1CCC(C)(C)[C@@H]2CC=C3CO[C@@H](O)[C@@H]3[C@]21C 15159645 UCGWXCHOMWPIBD-ZAPJKBGESA-N 294.391 2.656 0 1 CFAF CC(=O)N1c2ccccc2N(C(=O)c2ccco2)C[C@@H]1C 1857646308 PQZDVDAGCKDFQI-NSHDSACASA-N 284.315 2.681 0 1 CFAF Cc1ccccc1NC(=O)c1nc(-c2ccncc2)no1 6841767 ZLSCQWVJHIIQJP-UHFFFAOYSA-N 280.287 2.692 0 1 CFAF O=c1[nH]cnc2c1[C@@H](c1ccccc1)c1ccc(O)cc1O2 103289626 GKAZSKIMQVWWKI-AWEZNQCLSA-N 292.294 2.761 0 1 CFAF COc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1O 114119357 UQSNZFOTDPKAEZ-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@H]1c1cc3ccccc3[nH]1)O2 101501436 KOKBPPDCKPRXAM-GVAFMPQTSA-N 285.343 2.992 0 1 CFAF CC(C)Cn1cnc2c(N)nc3ccc(O)cc3c21 28477513 NPHSQEJWOIXLLR-UHFFFAOYSA-N 256.309 2.528 0 1 CFAF CC=CCCC(=O)c1cc(C(=O)OC)c(OC)cc1O 2356578490 TYNWXXSKCMXGSO-UHFFFAOYSA-N 278.304 2.726 0 1 CFAF Cc1cc(N[C@@H]2CCc3cc(F)ccc3C2)n2ncnc2n1 71295411 BXGYDZBWAZSHJE-CQSZACIVSA-N 297.337 2.541 0 1 CFAF c1ccc(-c2n[nH]cc2-c2ccnc(-n3cccn3)c2)nc1 72116886 YWKTUNHCMPHUCG-UHFFFAOYSA-N 288.314 2.719 0 1 CFAF Cc1ccc(C[C@H](NC(=O)C2CCCCC2)C(=O)O)cc1 41465928 BLCVEUHQKPTQGA-HNNXBMFYSA-N 289.375 2.687 0 3 CFAF C[C@]1(c2nc3ccccc3[nH]2)CCC(=O)N1C1CC1 199396556 SZFQTLRQPXXDCA-OAHLLOKOSA-N 255.321 2.563 0 3 CFAF COCCc1c(C)cc2c(c1C)C[C@@](C)(CO)[C@H]2OC 139115384 SLJLUCPQAQEAOL-IRXDYDNUSA-N 278.392 2.735 0 1 CFAF CC[C@@H](CO)Nc1ccc2ncc(-c3ccsc3)n2n1 147082098 OJYINLHOEHUFHI-NSHDSACASA-N 288.376 2.641 0 1 CFAF CNC[C@H](O)c1ccc(O)c2c1CCCC(C)(C)C2 85510743 CDLAQDQIKXFCDF-HNNXBMFYSA-N 263.381 2.550 0 1 CFAF biogenic,in-vitro CCOc1ccc(-c2cnn3c(O)nc(=S)[nH]c23)cc1 96922743 ADBXBMJLEKGITM-UHFFFAOYSA-N 288.332 2.558 0 1 CFAF COCO[C@H]1C=CCCCCC(=O)[C@H](C)C#CC1 299815264 MZBINVXLODRUGH-KGLIPLIRSA-N 250.338 2.704 0 1 CFAF CC(=O)O[C@H]1C=C(C)CC[C@@H](C(C)C)[C@@H](O)[C@@H]2O[C@@]2(C)C1 299812644 KAORYHGWGQFHAO-KSWRQPAISA-N 296.407 2.839 0 1 CFAF CC(=O)c1ccc2nc([C@@H](N)c3ccsc3)[nH]c2c1 587025761 QGHTVCIKJBOIBB-ZDUSSCGKSA-N 271.345 2.875 0 1 CFAF CC(C)(SCc1nc2ccc(Cl)nc2[nH]1)C(=O)O 586958740 HZIYKSSAOVQTFN-UHFFFAOYSA-N 285.756 2.708 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CCCO1)CC2=O 587494060 WTSCZQULJJNKMJ-LSDHHAIUSA-N 276.332 2.858 0 1 CFAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc3cn[nH]c3cc2[nH]1 587961218 DMUXZPUATMHGHW-IUCAKERBSA-N 268.320 2.597 0 1 CFAF Nc1ccnc2[nH]c(Cc3c[nH]c4ccc(F)cc34)nc12 587174070 FLNCZZMDVRYFTM-UHFFFAOYSA-N 281.294 2.751 0 1 CFAF CC[C@H](C)c1ccc2[nH]c(CN)c(CC(=O)O)c2c1 587643159 RHMAYZZYZFQENL-VIFPVBQESA-N 260.337 2.767 0 1 CFAF CC(C)(C)c1ccc2nc(Cc3cccnc3N)[nH]c2n1 587253840 LWYOGIYNCKUOHB-UHFFFAOYSA-N 281.363 2.823 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)cn1)O2 587393926 OIWPDUHSOGMZAZ-INIZCTEOSA-N 284.315 2.558 0 1 CFAF Cc1ccnc2[nH]c(C34CCC(CO)(CC3)CC4)nc12 586899980 YFKHWBZHYOTWQM-UHFFFAOYSA-N 271.364 2.851 0 1 CFAF Oc1cc([C@@H]2NCCc3cc(Cl)ccc32)c(F)cn1 963390401 IZSXRRKBKXJYDL-CQSZACIVSA-N 278.714 2.815 0 1 CFAF CC(C)n1nc(-c2coc(C3CC3)n2)c2c(N)ncnc21 1772590299 FFBNNUMAKPJABE-UHFFFAOYSA-N 284.323 2.522 0 1 CFAF CC(=O)CCC(=O)O[C@H](Cn1ccnc1)c1ccccc1 1772580449 ILZZTNUHELZZGQ-OAHLLOKOSA-N 286.331 2.537 0 1 CFAF O=CN(O)CCCCCCCC(=O)Nc1ccccc1 13588975 HZEFDTBJXHGSJM-UHFFFAOYSA-N 278.352 2.813 0 1 CFAF O=c1c(O)ccc(-c2ccc(C(F)(F)F)cc2)c(O)c1O 13775885 SGLUYNBBSDALPM-UHFFFAOYSA-N 298.216 2.849 0 1 CFAF CCCCCC[C@H]([C@H](C)O)n1cnc(C(=O)NCC)c1 13821016 RGBQGAVILOXJTG-GXTWGEPZSA-N 281.400 2.525 0 1 CFAF COc1cc(N[C@@H](C)CCN)c2ncc(C)cc2c1 169322709 GDXOPPBYUYNAIZ-NSHDSACASA-N 259.353 2.701 0 1 CFAF Cc1sc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)c(C(N)=O)c1C 4031077 RXXNNFSZEKZEES-AXFHLTTASA-N 292.404 2.839 0 1 CFAF Cc1ccccc1-c1cncnc1NC1CCNCC1 4267586 XHPYBOJRMMYRRQ-UHFFFAOYSA-N 268.364 2.616 0 1 CFAF CCC1=C2[C@H]3C=C(C)C[C@@]2(NC1)c1ccc(O)nc1C3 100789540 LWKCOSFHDJDLBU-YVEFUNNKSA-N 268.360 2.815 0 1 CFAF CC(=O)c1ccc(COCCCc2c[nH]cn2)cc1 29325293 JDEZQQMJTFLAHJ-UHFFFAOYSA-N 258.321 2.762 0 1 CFAF C[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@]2(CCN3C)CC1=O 29218389 GJEVWFOGJRBNKF-YRINGNFDSA-N 285.387 2.505 0 1 CFAF Oc1ccc(O)c(COCc2cc(O)cc(Cl)c2O)c1 29041926 UFCVCBAKLKAAMC-UHFFFAOYSA-N 296.706 2.879 0 1 CFAF C[C@@H]1OC(=O)c2c(O)cc(O)cc2CCCCCC[C@H]1O 2356589984 ZTMGIUWYKJLEDJ-GXFFZTMASA-N 294.347 2.511 0 1 CFAF COc1ccc(OC)c(NC(=O)[C@@]2(C)CCN2C(C)C)c1 61896167 FTLFIUYDYQIYBG-MRXNPFEDSA-N 292.379 2.515 0 3 CFAF CC(=CC(=O)O)CC[C@]1(C)C(C)=C(CO)[C@H](C)[C@]1(C)O 2356736124 UFVJSNUROFSAJQ-MAZHCROVSA-N 282.380 2.513 0 1 CFAF O=C(O)c1sc(-c2cnccn2)nc1Cc1ccccc1 72284503 GJCYYNAVHMQJGR-UHFFFAOYSA-N 297.339 2.889 0 1 CFAF C[C@@H]1N(O)[C@@H](c2ccccc2)C(c2ccccc2)=[N+]1[O-] 31872054 RZHJTANZVWNKCT-DOMZBBRYSA-N 268.316 2.778 0 1 CFAF COc1ccc(OC)c(-c2cnn(-c3ccccc3)n2)c1 473115899 VKDFVMZUTCCHGI-UHFFFAOYSA-N 281.315 2.952 0 1 CFAF COc1cccc2nc(Cc3cc(N)ccc3F)[nH]c12 587141600 WPVDXCWWTWIQHG-UHFFFAOYSA-N 271.295 2.884 0 1 CFAF N=c1[nH]ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586893875 ZBHSDAVBMVKLRJ-YPIXOSSWSA-N 268.364 2.838 0 1 CFAF COc1ccc2[nH]c(-c3oc4c(c3C)[C@@H](O)CCC4)nc2n1 586903292 ILYGUIMJSBWOGI-JTQLQIEISA-N 299.330 2.905 0 1 CFAF CCOC1CC([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)C1 587402340 BRIYEGVZDRKUPG-NWHVRFAMSA-N 275.348 2.726 0 1 CFAF O=C(/C=C\c1nc2cccnc2[nH]1)Nc1ccccc1 587243879 JUERYTYOQFDCFK-HJWRWDBZSA-N 264.288 2.610 0 1 CFAF CC(=O)[C@@H]1CCCC[C@@]12NCCc1ccc(O)cc12 963329593 PGILQFLMILZSAA-GOEBONIOSA-N 259.349 2.512 0 1 CFAF Cc1ccc(C(C)C)cc1OC(=O)CCC(=O)O 1857543638 ZYVSUDCJKSOLST-UHFFFAOYSA-N 250.294 2.889 0 1 CFAF COc1ccc(N(C)c2cc(C)nc(C)n2)cc1O 1857641850 APFDLGNTYBTBLW-UHFFFAOYSA-N 259.309 2.576 0 1 CFAF O=C1CCc2cc3c(c4c5c(O)cccc5n1c24)CCNC3 13558703 XBYNQNZFRXGCJN-UHFFFAOYSA-N 292.338 2.732 0 1 CFAF CN1CCc2ccccc2Cc2cc(N)c(O)cc2CC1 13684095 MUNUWDYLOYQPCC-UHFFFAOYSA-N 282.387 2.596 0 1 CFAF C[C@@H]1CN(c2cccc(-c3cccs3)c2)NC(=O)N1 13759112 FRNKZRMOLFLNRD-SNVBAGLBSA-N 273.361 2.838 0 1 CFAF C=Cc1ccc([C@H]2CCN(C)C[C@H]2C(=O)OC)cc1 13806642 YMHAJNFBGPQDLD-HUUCEWRRSA-N 259.349 2.538 0 1 CFAF CC(=O)O[C@@H]1C=C(C)CC[C@]2(O)[C@@H](C(C)C)CC(=O)[C@]12C 169642188 NMFFRLYFDXSRFV-DZUCGIPZSA-N 294.391 2.641 0 1 CFAF C[C@@]12C=C[C@@](C)(O1)c1c2c(O)n(-c2ccccc2)c1O 169690164 GSNKZVJHKBUAPY-IYBDPMFKSA-N 269.300 2.919 0 1 CFAF COc1cccc2c(O)c(CC=C(C)C)c(=O)n(C)c12 157086523 SCFVUIUTMITLOC-UHFFFAOYSA-N 273.332 2.761 0 1 CFAF c1ccc(COC[C@H]2CC[C@H](c3c[nH]cn3)O2)cc1 13524106 RETVAMKTDRMQFH-UKRRQHHQSA-N 258.321 2.847 0 1 CFAF C[C@H]1CCCC[C@@H]1/N=c1/c(-c2ccccc2)c(O)c1=O 103535370 JXVHMSGJSXLZAA-PUTMTMMVSA-N 269.344 2.774 0 1 CFAF Oc1c2nc3ccccc3c-2ncn1Cc1ccco1 101496518 OQTUYSXZBGZDOI-UHFFFAOYSA-N 265.272 2.883 0 1 CFAF O=C(NN1CC=CCC1)c1ccc(Cl)c(Cl)c1 27756490 ZVBDWZNKCYYCNO-UHFFFAOYSA-N 271.147 2.900 0 1 CFAF C[C@H]1CC(=O)C[C@]23CCN(C)[C@H](Cc4ccc(O)cc42)[C@@H]13 26717586 QTMXUFYDRJEECW-YTYAUXFGSA-N 285.387 2.505 0 1 CFAF O[C@H](CCc1ccc(Br)cc1)Cn1ccnc1 28648040 PGYLKGZUIGUTTB-CYBMUJFWSA-N 295.180 2.639 0 1 CFAF C[C@H](Cc1ccccc1)NC[C@H](N)Cc1ccccc1 28474637 MIYJTSGMYOKUNW-CRAIPNDOSA-N 268.404 2.777 0 1 CFAF C[C@]1(C(=O)O)CCC[C@]2(C)C3=CC(=O)OCC3=CC[C@@H]12 33995335 FIZSONPJJYYMRC-WQVCFCJDSA-N 276.332 2.697 0 1 CFAF Brc1ncnc2c1ncn2[C@@H]1C[C@H]2CC[C@@H]1C2 72109282 LUCPVAMKVNQLJF-DJLDLDEBSA-N 293.168 2.950 0 1 CFAF COC(=O)CCc1cccc(Nc2ccccc2C(N)=O)c1 95571862 ANUBUKVFGXEICW-UHFFFAOYSA-N 298.342 2.635 0 1 CFAF NCC[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 473166141 DLLUAWMFPBYJKH-KRWDZBQOSA-N 283.371 2.694 0 1 CFAF COc1cccc([C@H]2N(C)Cc3cc(O)ccc3N2C)c1 653737489 LZMLZSIFIQDHKO-KRWDZBQOSA-N 284.359 2.981 0 1 CFAF C[C@@H](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)N(C)C 587189482 CMOBOPIBVPLFJJ-QMMMGPOBSA-N 287.285 2.954 0 1 CFAF COc1ccc(Cc2nc3nc(Cl)c[nH]c-3n2)c(F)c1 587149928 WLPHCJXZHFALSE-UHFFFAOYSA-N 292.701 2.696 0 1 CFAF OCCc1ccc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2c1 587094004 YKNMHCULFMVZNV-IUCAKERBSA-N 270.254 2.764 0 1 CFAF CNc1c(F)cccc1-c1nc2cnc(Cl)[nH]c-2n1 587135876 QUUCFFIFIMXMIG-UHFFFAOYSA-N 277.690 2.806 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](c1csnn1)CC2=O 587497345 VQIQXBHCCYRVCJ-ZDUSSCGKSA-N 290.344 2.903 0 1 CFAF C/C(=C/c1nc2c(N)ncnc2[nH]1)C1CCCCC1 587967104 HCDLXGACYMMBFG-CLFYSBASSA-N 257.341 2.919 0 1 CFAF CN[C@@H](c1cccnc1)c1nc2cc(F)c(F)cc2[nH]1 587220457 CBFCRPVAGQXLGX-ZDUSSCGKSA-N 274.274 2.545 0 1 CFAF Oc1nc(-c2nc3ccc4ncccc4c3[nH]2)cs1 587016356 ACUVLPZORYTNQH-UHFFFAOYSA-N 268.301 2.940 0 1 CFAF COc1c(O)c2c3c4c1CCN[C@@H]4Cc1cccc(c1-3)CO2 14649466 SGIIPEIASNWXSK-GFCCVEGCSA-N 295.338 2.703 0 1 CFAF CCCCCC[C@@]12CCC(=O)N1CCc1cncn12 15258186 UQSZEARLICPLFX-OAHLLOKOSA-N 261.369 2.685 0 1 CFAF O=C1Cc2ccc(O)cc2/C=N\C=C/c2cc(O)ccc21 169293580 PHTNPJUNCWXYDO-IWHXEHHVSA-N 279.295 2.926 0 1 CFAF COC(=O)[C@H]1[C@@H]2CCC[C@@H](C[C@H]1c1ccccc1)N2C 169326141 BKQAVNYMOZGBMJ-YHUYYLMFSA-N 273.376 2.816 0 1 CFAF COCOc1ccc(C[C@@H]2Cc3cccc(O)c3C2=O)cc1 1857637771 AXASWQINHKBQHT-CQSZACIVSA-N 298.338 2.973 0 1 CFAF COC(=O)c1cc2c3ccccc3n(C(C)=O)c2cn1 1619635 MBDNGZRFJGFGGO-UHFFFAOYSA-N 268.272 2.636 0 1 CFAF CC(C)(C)NC(=O)NC(C)(C(F)(F)F)C(F)(F)F 3188980 LNPRKVOBAUEQQP-UHFFFAOYSA-N 280.212 2.967 0 1 CFAF biogenic Oc1c2nc3ccccc3c-2ncn1CCN1CCCCC1 8628122 NFVGKNPUXXTGFE-UHFFFAOYSA-N 296.374 2.728 0 1 CFAF COCCn1c(-c2ccc(F)cc2)nc2cccnc21 9971939 QVDMMCCRIZYNLS-UHFFFAOYSA-N 271.295 2.884 0 3 CFAF COc1cc(OC)c2c(c1)O[C@@]1(C)OC[C@H](C)[C@H]1C2 53294825 SHQURRYQYOWDOJ-TURKWSHLSA-N 264.321 2.637 0 1 CFAF Cc1c2oc(=O)ccc2cc2c(O)c(C(C)(C)O)oc12 102952665 SVDKENTVUOEKSX-UHFFFAOYSA-N 274.272 2.781 0 1 CFAF CC(=O)OCC(C)=CCc1cc(C(C)=O)ccc1O 2356545442 SOKFLIPORULBKJ-UHFFFAOYSA-N 262.305 2.647 0 1 CFAF O[C@@H](c1ccc(F)cc1)c1nc(-c2cncnc2)cs1 61926444 UTDLVWWAEQDZQH-ZDUSSCGKSA-N 287.319 2.821 0 3 CFAF OCCN1[C@H]2c3ccccc3C[C@@H]1c1ccccc12 33754994 ZICXADCUXFAAOU-SJORKVTESA-N 251.329 2.681 0 1 CFAF COc1ccc([C@@H](C)C(=O)c2c(O)cc(O)cc2O)cc1 34461449 UDALNYNLNYDPMV-SECBINFHSA-N 288.299 2.798 0 1 CFAF endogenous,in-man CCCCNc1ccc(C(=O)OCCN(C)C)cc1OC 73166743 LHQSOQILGIBZQA-UHFFFAOYSA-N 294.395 2.626 0 1 CFAF CC[C@@H](Cc1ccc(SC)cc1)NCCOC 48998368 YSKUUCVOZDYOHE-ZDUSSCGKSA-N 253.411 2.966 0 1 CFAF Nc1nc(NC2CCCC2)c2c(n1)[nH]c1ccc(O)cc12 221380192 AYOYGCNKJYZNFU-UHFFFAOYSA-N 283.335 2.753 0 1 CFAF CC[C@H](O)C(=O)OCCCCCc1ccccc1 95578607 NXJJGEPCDHFPSF-AWEZNQCLSA-N 250.338 2.714 0 1 CFAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1[C@@H](O)C[C@@H]2O 238766295 QVQMPLATUBCZMQ-OIGKAMSRSA-N 288.387 2.580 0 1 CFAF CCc1nc2ccc3c(c2o1)[C@H](CCNC(C)=O)CC3 96174398 FIPHYUVXAUQDEU-LBPRGKRZSA-N 272.348 2.946 0 1 CFAF Cc1cc(=O)n(CCOc2ccc3ccccc3c2)[nH]1 149844520 INCLABAHEPQBCG-UHFFFAOYSA-N 268.316 2.717 0 1 CFAF CCN(CC)CCCCNc1nc(C)c(OC)c(C)n1 95577451 KEGJFTHUNLQGTA-UHFFFAOYSA-N 280.416 2.636 0 1 CFAF NCCCCC(=O)Nc1ccc2ccc3cc[nH]c3c2n1 653861692 HPGZUMJPXWDLLZ-UHFFFAOYSA-N 282.347 2.784 0 1 CFAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(Cl)cnc2[nH]1 587960942 CVRMGZNHWNSNGS-JGVFFNPUSA-N 263.728 2.769 0 1 CFAF C[C@@H](O)c1ncc(-c2nc3cccc(F)c3[nH]2)s1 587020832 BPSSCMMUIXQSHW-ZCFIWIBFSA-N 263.297 2.879 0 1 CFAF COc1cncc2[nH]c(-c3oc4c(c3C)[C@H](O)CCC4)nc12 586903602 LPXYRDVPPMTUOZ-SNVBAGLBSA-N 299.330 2.905 0 1 CFAF CC(C)(CC(=O)O)Cc1nc2ccc(Cl)nc2[nH]1 587956309 WHJWXJTWCUWIGU-UHFFFAOYSA-N 267.716 2.655 0 1 CFAF O=C([C@H]1CCOC1)n1nc2cc1Oc1ccc(F)cc1-2 587874456 BJDWYLBPKHJDNU-QMMMGPOBSA-N 274.251 2.472 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1c(N)cccc1F)[C@@H](C2)C3=O 587424029 NDWPBYHWYIFVIH-DYZYQPBXSA-N 299.301 2.905 0 1 CFAF CCc1cc(O)nc(-n2nc3cc2Oc2ccc(F)cc2-3)n1 587874714 IWSMNRWLMTXHJU-UHFFFAOYSA-N 298.277 2.842 0 1 CFAF Nc1c(F)cc(-c2nc3cccc(O)c3[nH]2)cc1F 587134186 BBUGPQOZPLUNOE-UHFFFAOYSA-N 261.231 2.796 0 1 CFAF C[C@@]1(c2cccc3oc(N)nc23)NCCc2ccc(O)cc21 963342761 SUVWYKVGTAIPIF-KRWDZBQOSA-N 295.342 2.525 0 1 CFAF CO[C@H](CC(C)C)[C@@H]1c2ccsc2CCN1C(N)=O 962718974 VWMHKVISTDOFRI-YPMHNXCESA-N 282.409 2.787 0 1 CFAF Cc1ccnc2c1CCN[C@H]2c1nccn1-c1ccccc1 963070667 PNXNXWIDOKDVTD-QGZVFWFLSA-N 290.370 2.811 0 1 CFAF CCC(CC)Oc1ccc(C(=O)N2CCOC2=O)cc1 1857755068 UQCFNGJLTHXVEA-UHFFFAOYSA-N 277.320 2.846 0 1 CFAF CC(C)C(=O)Nc1ncc2c(ccc3[nH]ccc32)n1 1772579637 QBXXNQSVAXWUHT-UHFFFAOYSA-N 254.293 2.706 0 1 CFAF Oc1cccc([C@@]23C=C[C@H](O)C[C@H]2CN(CC2CC2)CC3)c1 13650197 JUBSDBJDLKODFS-WDSOQIARSA-N 299.414 2.683 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2ccccc2)C[C@@H]2CCC[C@H]1N2C 13760468 BKQAVNYMOZGBMJ-ZJIFWQFVSA-N 273.376 2.816 0 1 CFAF COC(=O)c1c(-c2ccc(O)cc2)oc2ccccc2c1=O 13820364 UCKRDOACJCHXDU-UHFFFAOYSA-N 296.278 2.952 0 1 CFAF COc1cc(O)c2c(c1)O[C@H](c1ccccc1O)CC2=O 14806240 RWLCJUJOUDVNQX-AWEZNQCLSA-N 286.283 2.813 0 1 CFAF Oc1ccc2c(c1)O[C@@H](CNCc1cccs1)CC2 13775959 KBNHFHXXRALJJY-CYBMUJFWSA-N 275.373 2.937 0 1 CFAF CCN1CCC(=O)N(c2c(C)cccc2Cl)C1=S 6958 NPIKWRHFBAFXRL-UHFFFAOYSA-N 282.796 2.992 0 1 CFAF Cc1ccnc2c(N[C@@H](C)CCCN)cc3c(c12)OCO3 28011553 PXMPGEJDEOMSJW-NSHDSACASA-N 287.363 2.811 0 1 CFAF N#Cc1cn(-c2ccc(C(=O)O)cc2)c2ccc(CO)cc12 113276744 LBDMUYHRIJYKLM-UHFFFAOYSA-N 292.294 2.693 0 1 CFAF CN(C)CCCNc1c2c(nc3ccccc13)CCN(C)C2 28756102 GOACAOSWZQXSOT-UHFFFAOYSA-N 298.434 2.586 0 1 CFAF Cc1cc(-n2cc(Cl)nc2C)cc2ccc(=O)[nH]c12 29333147 DETQRJSNLUQWKI-UHFFFAOYSA-N 273.723 2.984 0 1 CFAF CC(=O)c1cc[n+](C/C=C/CN2C=CC(=CN=O)C=C2)cc1 138312598 VOTFQVAPGRQDAF-NSCUHMNNSA-N 296.350 2.726 0 1 CFAF Cc1nc(-c2ccoc2)n(CC(=O)NCC(C)C)c1C 299852531 UFPJRXYRKBWKLZ-UHFFFAOYSA-N 275.352 2.532 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](C)N)O2 587388323 AIQAJMODJXRSBU-KPZWWZAWSA-N 296.370 2.785 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1n[nH]cc1Cl)[C@@H](C2)C3=O 587420617 IWUMQOJXESWANP-RMLUDKJBSA-N 290.706 2.560 0 1 CFAF COC(=O)[C@@H](N=O)c1nc2cccc3c2c(c1C)CC3 587214417 ZQFKGINRCUCOGG-AWEZNQCLSA-N 270.288 2.622 0 1 CFAF O=C1CCC[C@H](c2nc3cnc(Cl)[nH]c-3n2)CC1 586885036 UXOZAWYOWKPQHH-ZETCQYMHSA-N 264.716 2.575 0 1 CFAF Oc1cccc(-c2nccc(C3CCOCC3)n2)c1 1857558327 UNJIWAZBQAYJQA-UHFFFAOYSA-N 256.305 2.743 0 1 CFAF O=Cc1ccccc1OCc1cn(Cc2ccccc2)nn1 1772619971 SHXDPGSMHIINOJ-UHFFFAOYSA-N 293.326 2.718 0 1 CFAF CC[C@]1(C)SC(NC2C3CCC2CC3)=NC1=O 14978752 XMGUIUDPFNFXJZ-HWMWNZGHSA-N 252.383 2.563 0 1 CFAF C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 169300938 SZNBRPRZLSIWNS-VNEJXLGASA-N 293.366 2.801 0 1 CFAF CNC(=S)N1N=C2CCCC[C@@H]2[C@H]1c1ccco1 169722516 FBNZNYMVFHXNOR-CABZTGNLSA-N 263.366 2.687 0 1 CFAF CCC[C@@]1(C(=O)OCC)CC[C@@]2(c3ccccc3)O[N@@]12 1857536607 KRKSCNCTBHZUGE-ULQDDVLXSA-N 275.348 2.982 0 1 CFAF Oc1ccc(-c2c[nH]nc2-c2ccc(O)cc2O)cc1 1857756782 XXANCVYKGMQBIT-UHFFFAOYSA-N 268.272 2.861 0 1 CFAF C[C@@H]1CC(=O)[C@@H]2[C@H](C=C[C@@]3(C)OCCC(=O)[C@@]23C)C1 2356398955 ITWYWAQNTCPFOM-QXTAPFHLSA-N 262.349 2.542 0 1 CFAF C[C@H]1[C@@H](c2ccccc2)OBN1Cc1ccccc1 2356316506 SKHWVMVDOZXHIN-BBRMVZONSA-N 251.138 2.915 0 1 CFAF CC1=C[C@@H]2O[C@H](C[C@]3(C)C[C@H](O)C(=O)O3)C[C@@H](C)[C@H]2CC1 2356323341 BTUXDAQOACITBL-RURKYGKJSA-N 294.391 2.593 0 1 CFAF C[C@H]1COc2ccccc2N1C1=NC(=O)C(C)(C)S1 103182518 NJVSRTWKLOMJJC-VIFPVBQESA-N 276.361 2.682 0 1 CFAF C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3C(=O)NCCC)cc1 100093087 CMLPOWSFOHMGQQ-YBJSGYSDSA-N 299.418 2.579 0 1 CFAF Cn1c(C(=O)C(F)(F)F)cnc1-c1ccccc1 29558137 MGJKHBFTLXMESQ-UHFFFAOYSA-N 254.211 2.832 0 1 CFAF OCc1cc(-c2ccccc2)nn1C[C@H](O)c1ccccc1 66258485 CGNCDZPKFPZQPT-SFHVURJKSA-N 294.354 2.776 0 1 CFAF COc1cc(O)c(C(=O)[C@@H](C)c2ccc(O)cc2)cc1O 64573072 OGDNZXXXJSBGRM-VIFPVBQESA-N 288.299 2.798 0 1 CFAF COc1cccc2c1-c1nccc3ccnc(c13)C2=O 72109724 ZLDFQCLGYOKBIH-UHFFFAOYSA-N 262.268 2.850 0 1 CFAF C[C@H]1CC(=O)C[C@]23CCN(C)[C@H](Cc4ccc(O)cc42)[C@H]13 40843982 QTMXUFYDRJEECW-HQKIHSOMSA-N 285.387 2.505 0 1 CFAF CC(C)=CCc1cc(/C=C/C(=O)O)cc2c1O[C@H](O)C2 238731511 HAURWYFBWLWKEE-DRDHIDPGSA-N 274.316 2.546 0 1 CFAF C[C@@H]1CN([C@@H]2CCCC[C@H]2O)CCN1c1ccccc1 253634673 IKPMULIIVRGEMT-DJIMGWMZSA-N 274.408 2.501 0 1 CFAF Cc1cc2[nH]c(-c3ccc(F)c(N)c3)nc2c(C)n1 587139739 SRTOETPGGIUIMP-UHFFFAOYSA-N 256.284 2.963 0 1 CFAF O=c1c2cc(Cl)ccc2cnn1Cc1cccc(O)c1 587652953 PLOUVINKTDCJQD-UHFFFAOYSA-N 286.718 2.804 0 1 CFAF CCO[C@@H]1CCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587403227 LEPQQLWDQLXBIE-ZBFHGGJFSA-N 275.348 2.870 0 1 CFAF Cc1c(F)ccc2c1[C@H](c1cccc(C=O)n1)NCC2 962303904 YJAFUCZGBLEJJL-INIZCTEOSA-N 270.307 2.577 0 1 CFAF CN(C)C[C@H](c1ccccc1O)C1(O)CCCCC1 5958047 RLHCJXZDGMECCF-CQSZACIVSA-N 263.381 2.733 0 1 CFAF C/C(=C\Cc1cc(C)c2c(c1O)C(=O)OC2)CCC(=O)O 13759730 AXPFPYZPCCJJLA-YCRREMRBSA-N 290.315 2.725 0 1 CFAF CC1=C2[C@H]([C@H](C)CC[C@@H]2/C=C(\C)C(=O)O)[C@H](O)C1 13783205 XJNQXTISSHEQKD-RLWLBJDJSA-N 250.338 2.761 0 1 CFAF endogenous,in-man CCCN(CC1CC1)c1c2c(nc3ncnn13)CCCC2 201445888 QQMWLBIBAWQBKP-UHFFFAOYSA-N 285.395 2.630 0 3 CFAF NC(=O)c1cccc2[nH]c(-c3ccc(Cl)cc3)nc12 13834544 BVFZCUNDBLZUDA-UHFFFAOYSA-N 271.707 2.982 0 1 CFAF CC(=O)O[C@@H]1CC(=O)[C@]2(C)CC=C(C(C)C)C[C@H]2[C@@]1(C)O 2356330810 VFNVULFGDFVUDV-MWQQHZPXSA-N 294.391 2.641 0 1 CFAF COc1ccc(OC)c([C@@H]2CC(c3ccncc3)=NN2)c1 103220415 QNHVHRHKASWYHI-HNNXBMFYSA-N 283.331 2.538 0 1 CFAF COC(=O)[C@H]1[C@@H](c2ccc(C)c(F)c2)C[C@@H]2CC[C@H]1N2C 28477516 ZIXPADCAHDMWPA-XNISGKROSA-N 291.366 2.873 0 1 CFAF C[C@]1(O)CCC[C@@]2(C)Cc3c(O)ccc(O)c3C[C@@H]12 29042008 SIHKZQDGUPOURP-PMPSAXMXSA-N 262.349 2.754 0 1 CFAF CCCN1C(=O)CC[C@]1(O)c1cccc(C(F)(F)F)c1 26838096 SQCXPRWFMATVNS-ZDUSSCGKSA-N 287.281 2.883 0 1 CFAF C[C@@H]1Cc2c(c(Cl)c(O)c(Cl)c2C(=O)O)O1 2356720344 XVIJGBVFPGZOOI-GSVOUGTGSA-N 263.076 2.721 0 1 CFAF CCCCCCSC(=O)NC(=O)c1csnn1 38328575 FLLHRWBILQAONL-UHFFFAOYSA-N 273.383 2.701 0 1 CFAF CCC1=NCc2nnc(C)n2-c2ccc(Cl)cc21 73296866 LRBJCHHAFGSSNF-UHFFFAOYSA-N 260.728 2.942 0 1 CFAF O=C(CCc1ccccc1)C[C@@H](O)CCc1cccnc1 71340608 WAKBEXDMNDFUGW-SFHVURJKSA-N 283.371 2.967 0 1 CFAF Cc1cnc(N2CCCC2)nc1NCCOc1ccccc1 82212843 QWRDMTLGPLBPLX-UHFFFAOYSA-N 298.390 2.876 0 1 CFAF O=C(N1CCCC1)n1cnc(SCc2ccccc2)n1 473087986 HBBQCLWYOUZQSD-UHFFFAOYSA-N 288.376 2.634 0 1 CFAF COCc1nc(/C=C/c2cc3ccccc3nc2OC)no1 653786504 FSZIHTZXPACRJI-BQYQJAHWSA-N 297.314 2.943 0 1 CFAF C[C@@H]1CC(=O)Nc2ccc(OCc3cccnc3)cc2O1 653869239 IMCUPUODKVOAGV-LLVKDONJSA-N 284.315 2.770 0 1 CFAF CC(C)Cn1c(C2CC2)c(Cl)nc(-n2cccn2)c1=O 653799313 JQPICWWHKCGNNY-UHFFFAOYSA-N 292.770 2.616 0 1 CFAF Cc1cccc2nc(CCNC(=O)Cc3ccccc3)[nH]c12 587227988 CUEMPKCDXOEUIM-UHFFFAOYSA-N 293.370 2.773 0 1 CFAF CCCc1c(O)ccc2c1O[C@](C)(c1ncc[nH]1)CC2=O 587481555 GOWGTYCSJIOYFK-INIZCTEOSA-N 286.331 2.948 0 1 CFAF OCc1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 586895703 VBVGEKYZFJNFMP-UHFFFAOYSA-N 296.326 2.884 0 1 CFAF CC(C)[C@]1(CO)CC(=O)c2ccc3c(c2O1)CCCC3 587528972 HEYGJCANRALVGJ-QGZVFWFLSA-N 274.360 2.918 0 1 CFAF NC(=O)c1cccc2nc(-c3ccc(F)c(F)c3)[nH]c12 587145865 TUUACJJNMDQQKF-UHFFFAOYSA-N 273.242 2.607 0 1 CFAF COc1cc(F)ccc1-c1nc2c(C3CC3)[nH]n(C)c-2n1 142673910 UJOZNKHDCMVDOJ-UHFFFAOYSA-N 286.310 2.940 0 1 CFAF O=C1C(Cl)=CCCN1C(=O)c1cnc2ccccc2c1 1772581934 DVZHRAVLFFSWSM-UHFFFAOYSA-N 286.718 2.730 0 1 CFAF CC(C)n1cnc2c(NCc3ccccc3)nc(N)nc21 13550553 ZOWFHIIDLSDZGZ-UHFFFAOYSA-N 282.351 2.602 0 1 CFAF N[C@@H]1Cc2c3n(c4cccc(O)c24)C(=O)C[C@H]2CCC[C@@H]1[C@@H]32 3790172 OECDXEBJRAHXDW-HDINQQKLSA-N 296.370 2.774 0 1 CFAF CCCCCNC1=NCCN1OCCc1ccccc1 3818821 HTQPLURMTSSFPB-UHFFFAOYSA-N 275.396 2.612 0 1 CFAF O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1Cc1ccccc1Cl 3913077 LBZANRCTSJSVDI-IOQCUFBNSA-N 287.746 2.647 0 1 CFAF CC(=O)c1ccc(Nc2cc(C)nc3nc(C)nn23)cc1 4822872 IMSOJQVZPPWBBP-UHFFFAOYSA-N 281.319 2.687 0 3 CFAF CC1([C@@]2(O)c3ccccc3C3=NCCN32)CCCCC1 27410041 KLHSHOIVLPEELS-KRWDZBQOSA-N 270.376 2.878 0 1 CFAF Cc1ccccc1-c1nnc(N(C)NC(C)C)s1 26377232 BMHXXZUGHQBPQX-UHFFFAOYSA-N 262.382 2.863 0 1 CFAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1[C@@H](O)CC2=O 2356467790 FDFNTZDUOBCJMD-MISMHTLLSA-N 286.371 2.788 0 1 CFAF NC[C@@H]1C[C@@]1(C(=O)Nc1ccccc1)c1ccccc1 29127670 CBSPAZYMJJLPIY-WMLDXEAASA-N 266.344 2.542 0 1 CFAF O=C(C=CCCc1ccc2c(c1)OCO2)N1CCCCC1 2356571408 QHWOFMXDKFORMO-UHFFFAOYSA-N 287.359 2.917 0 1 CFAF CC(=O)OC(C)(C)[C@@H]1CC[C@@H]2CO[C@]3(C)C=CO[C@]23C1 2356684575 RYBNUNCKOSXXIO-RRCSTGOVSA-N 280.364 2.816 0 1 CFAF CC(C)CN(C(=O)c1ccc(F)cc1Cl)[C@H]1CCNC1 48998862 GZJJRCVIVJXCPO-LBPRGKRZSA-N 298.789 2.939 0 1 CFAF in-vitro Clc1ccccc1[C@@H]1NNCc2nc3ccccc3n21 84669294 TVRRHZGQYRDAMC-OAHLLOKOSA-N 284.750 2.844 0 1 CFAF Cc1ccc2sc3c(=O)[nH]c(CN(C)C)nc3c2c1 45318365 HBJGQSLQQKVOJA-UHFFFAOYSA-N 273.361 2.508 0 1 CFAF CC(=O)C[C@@H](c1ccco1)[C@H]1C(=O)Oc2ccccc2C1=O 147632581 RALRFBOAOMIENT-SWLSCSKDSA-N 298.294 2.760 0 1 CFAF CCOC(=O)Cc1ccc2nc([C@@](C)(O)C(C)C)[nH]c2c1 586886354 FWHIIEJAYOAYGP-INIZCTEOSA-N 290.363 2.532 0 1 CFAF CC(C)[C@@H](c1nc2cc3c(cc2[nH]1)OCCCO3)N(C)C 587198514 HUTSKHVPFBPXTK-HNNXBMFYSA-N 289.379 2.983 0 1 CFAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cccnc4[nH]1)(C3)C2 587968334 AGNOPGAEWZMKIP-DNGWLPIJSA-N 267.332 2.605 0 1 CFAF COc1cncc2nc(CCc3ccccc3F)[nH]c12 587150884 UMXQMJRNAIJHQB-UHFFFAOYSA-N 271.295 2.891 0 1 CFAF FC(F)(F)[C@](F)(Cl)c1nc2cccnc2[nH]1 587089751 HEYWGLFVHBCUFF-ZETCQYMHSA-N 253.586 2.881 0 1 CFAF Cc1c(NC(N)=O)cccc1-c1nc2ccc(O)cc2[nH]1 587240338 SWZYLFFANQCKMJ-UHFFFAOYSA-N 282.303 2.735 0 1 CFAF CC[C@@]1(c2cn(C)nc2C)CC(=O)c2cc(C)cc(N)c2O1 587392129 WTRMDWJXVHVJNF-KRWDZBQOSA-N 299.374 2.890 0 1 CFAF Nc1cccc(C(=O)O)c1-c1nc2ccc(F)c(F)c2[nH]1 587248356 NZRMQICDXCFGPI-UHFFFAOYSA-N 289.241 2.789 0 1 CFAF FC(F)(F)c1cc2nc(CCOCC3CC3)[nH]c2cn1 587784294 PCVNNQKMASTRDQ-UHFFFAOYSA-N 285.269 2.946 0 1 CFAF COc1cccc(C(=O)SNC(=O)c2ccccc2)c1 166632897 FKKGRYKRNFRMHN-UHFFFAOYSA-N 287.340 2.914 0 1 CFAF O=C(c1ccccc1O)c1c[nH]c2ccc(O)cc12 1857562887 XLKHGXHOYSTXML-UHFFFAOYSA-N 253.257 2.810 0 1 CFAF CCCn1ccnc1-c1cc(OC)c(OC)c(OC)c1 1857591441 MUYBGFJTQMKYOF-UHFFFAOYSA-N 276.336 2.986 0 1 CFAF O=C1C[C@H](c2ccccc2)CN1c1ccc2c(c1)CNCC2 169347285 CONMISGKOTXGAI-KRWDZBQOSA-N 292.382 2.853 0 1 CFAF CC(=O)O[C@H](C=C(C)CCC=C(C)CO)CC(C)=CCO 2356385450 YVXXFTKPCWYGHH-QGZVFWFLSA-N 296.407 2.912 0 1 CFAF Cc1nc(Nc2ccncc2)cc(-c2ccncc2)n1 1498138 DYAHSKXNPZOCNU-UHFFFAOYSA-N 263.304 2.986 0 1 CFAF CS(=O)(=O)NC12CCC(c3ccccc31)c1ccccc12 1645154 OSPPIXPHZXBMRK-UHFFFAOYSA-N 299.395 2.719 0 1 CFAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C[C@H](O)[C@@H]2O 9212323 PROQIPRRNZUXQM-UFYUIRFASA-N 288.387 2.580 0 1 CFAF CC(C)=CCc1ccc(O)c2c1[C@H](O)C[C@@H]([C@H](C)O)OC2 2356598044 DAAIXDKHKPEZLL-XZJROXQQSA-N 292.375 2.604 0 1 CFAF CC(C)(C)NC1=NCCN=C(c2ccc(F)cc2)C1 36270460 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WVRZFORQJKKPQS-INIZCTEOSA-N 283.350 2.777 0 1 CFAF Nc1cccc(C(=O)O)c1-c1nc2ccc(Cl)nc2[nH]1 587248872 YJDURXLXBIJWGC-UHFFFAOYSA-N 288.694 2.559 0 1 CFAF N[C@H](Cc1nc2cc(F)cnc2[nH]1)c1ccccc1Cl 587055942 GCXJVULQXMZVKL-LLVKDONJSA-N 290.729 2.993 0 1 CFAF Clc1ccc2c(c1)C[C@H](c1nc3cncnc3[nH]1)O2 587081671 YNHWPZWVNPOUOK-LLVKDONJSA-N 272.695 2.683 0 1 CFAF CCOC(=O)c1ccc2nc(-c3cncc(F)c3)[nH]c2c1 587176990 KMNYZPBRNMPHBF-UHFFFAOYSA-N 285.278 2.941 0 1 CFAF COc1ccc(C=O)cc1-c1nc2cncc(C)c2[nH]1 587787389 OQRWMPIOSPXBRO-UHFFFAOYSA-N 267.288 2.754 0 1 CFAF COC(=O)C(C)(C)c1cc2c3c(cccc3n1)CC2 587214919 XIEGLJBIUGYKBR-UHFFFAOYSA-N 255.317 2.784 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)CC[C@H]3Cc1ccccc1 587561976 NAOONXUPLCVADL-NSHDSACASA-N 293.326 2.709 0 1 CFAF c1ccc2c(c1)CC[C@]21C[C@@H]1c1nc2cnncc2[nH]1 586893000 YTWTZGQPTANBRE-WBMJQRKESA-N 262.316 2.724 0 1 CFAF Fc1ccc2nc(COC(F)(F)F)[nH]c2c1F 587125136 QEFIOJQWYLHFGF-UHFFFAOYSA-N 252.142 2.878 0 1 CFAF Fc1cc2nc(CCOCC3CC3)[nH]c2cc1F 587782939 ATENEFCDEDJPAZ-UHFFFAOYSA-N 252.264 2.810 0 1 CFAF COc1cc(C)c(N)c(-c2nc3cccc(O)c3[nH]2)c1 587250064 RUIMYOUPRQUKMS-UHFFFAOYSA-N 269.304 2.835 0 1 CFAF Cn1cnnc1[C@H]1NCCc2cccc(-c3ccccc3)c21 962668342 NLFPUUHWXQPSNH-KRWDZBQOSA-N 290.370 2.717 0 1 CFAF Cn1c(C(=O)Nc2ccccc2)cc2scnc21 1772616792 LQTLHIQCZPLIEZ-UHFFFAOYSA-N 257.318 2.887 0 1 CFAF CCCNc1cc(-c2ccccc2)nc2ncnn12 1772623756 VTQXXYCTQXASEO-UHFFFAOYSA-N 253.309 2.613 0 1 CFAF Cc1ccc2c(c1)CN(Cc1nc(C)c[nH]1)C[C@H](C)O2 11785042 ZNVAXHXKLQIEPD-ZDUSSCGKSA-N 271.364 2.810 0 1 CFAF Cc1cc(=O)nc2n([C@@H](C)c3ccccc3)[nH]cc1-2 12727163 ZYYFUFGLKWHRFU-NSHDSACASA-N 253.305 2.594 0 3 CFAF CCSc1cc(OC)c(C[C@@H](C)NC)cc1OC 13641787 RXMRQMALCRZCOI-SNVBAGLBSA-N 269.410 2.966 0 1 CFAF COc1c(O)cc2c(c1OC)-c1c(O)cccc1CC2 14650841 UUZTXPMSHKENJH-UHFFFAOYSA-N 272.300 2.881 0 1 CFAF c1ccc(-c2noc(C[C@@H]3CN4CCC3CC4)n2)cc1 1857539239 OZANGBMPTQOWEV-CQSZACIVSA-N 269.348 2.621 0 1 CFAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1OCC2=O 26975761 FANDDLFIYCQQPS-TXCZRRACSA-N 272.344 2.806 0 1 CFAF Cc1cc2n[nH]c(=O)n2c2cc(-c3ccccc3N)ccc12 58590566 HTXSNHZPVGVZJV-UHFFFAOYSA-N 290.326 2.733 0 1 CFAF CCCS(=O)(=O)NC1[C@H]2CC[C@@H]1Cc1ccccc1C2 28353694 RXNKZDVMZSFLFU-XYPWUTKMSA-N 293.432 2.509 0 1 CFAF COC(=O)C=Cc1ccc(OC)c(C=CC(C)(C)O)c1 2356688596 FMRWLSIFAAUVQU-UHFFFAOYSA-N 276.332 2.666 0 1 CFAF CC1(C)C[C@@H]2C[C@](C)(O)c3cocc3[C@@H](O)[C@@H]2C1 2356737783 DVUNYSPYMVWYHH-NRWDQBFYSA-N 250.338 2.977 0 1 CFAF C=CC1=C([C@@H]2COC(=O)[C@H]2CC(=O)O)CC(C)(C)C1 2356862967 VCZFVDKNJCQIKO-CMPLNLGQSA-N 264.321 2.553 0 1 CFAF COC(=O)Cc1ccccc1-c1nc2ccc(C)nc2[nH]1 587783331 OQCYBOLFESAPKN-UHFFFAOYSA-N 281.315 2.649 0 1 CFAF COc1cc2nc(C[C@H](C)N(C)C)[nH]c2cc1Cl 587190005 FSDOGAQZDBNZOC-QMMMGPOBSA-N 267.760 2.718 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccnc1)O2 587395913 WBERVHCYYCBNPL-INIZCTEOSA-N 268.316 2.853 0 1 CFAF Nc1cncc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 587254667 UMVJPHMENQWSFV-UHFFFAOYSA-N 294.293 2.532 0 1 CFAF N=c1cc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c[nH]1 587108464 QPUFXHKTCCOANT-UHFFFAOYSA-N 292.264 2.980 0 1 CFAF CC(=O)c1ccc2nc(CSC(C)(C)C(=O)O)[nH]c2c1 586959906 SUNCIYXTLZBGEO-UHFFFAOYSA-N 292.360 2.862 0 1 CFAF CC(=O)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587815445 MZUTXTCOXVCQIA-PWCHPLFNSA-N 286.144 2.753 0 1 CFAF COc1cccc(C)c1-c1nc2c(Cl)ncnc2[nH]1 587786841 NFWFSDKQZYBWIG-UHFFFAOYSA-N 274.711 2.990 0 1 CFAF Cc1nccc2[nH]c(/C=C3\OC(=O)c4ccccc43)nc12 586905862 FIZBKERWYIXQSI-JYRVWZFOSA-N 277.283 2.935 0 1 CFAF N=c1ccc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)c[nH]1 587253332 HXMKUIREYFZLCB-UHFFFAOYSA-N 294.145 2.663 0 1 CFAF CCn1nc(Nc2cccc(C)c2)c2c1CCN(C(C)=O)C2 1772625728 LPEFXYUIOKMUCW-UHFFFAOYSA-N 298.390 2.860 0 1 CFAF CCOC(=O)c1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1 13671624 BXQWRCZEJFZOMS-XFXZXTDPSA-N 296.326 2.993 0 1 CFAF COc1cc2c3c(c1O)-c1cc(O)ccc1C[C@@H]3NCC2 14775341 LTCVKUADFIKXMF-ZDUSSCGKSA-N 283.327 2.516 0 1 CFAF CCOC(=O)[C@@H]1[C@H]2C=C[C@H](CC2)N1c1ccccc1 15952373 NLRFKXAWPLOXQO-CFVMTHIKSA-N 257.333 2.773 0 1 CFAF Cc1cccc(N2C(=O)[C@H]3CC=C[C@H](C)[C@@H]3C2=O)c1 17207034 HLDZTPNEVSSEBN-UBHSHLNASA-N 255.317 2.697 0 1 CFAF CCC(CC)NC1Cc2cc(OC)c(OC)cc2C1 13471389 GLCFQLZTRNGBCJ-UHFFFAOYSA-N 263.381 2.949 0 1 CFAF c1cc(-c2cnc3c(-c4ccncc4)cnn3c2)ccn1 3832396 ZLISHOMLHVNDJG-UHFFFAOYSA-N 273.299 2.853 0 1 CFAF in-vivo COc1ccc2c(c1)O[C@H]1c3ccc(O)cc3OC(=O)[C@@H]21 2356411242 ZVPPEISOWXTPEL-GJZGRUSLSA-N 284.267 2.537 0 1 CFAF CCc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)OC)N3C)cc1 27213307 UAMCGXVVAUEEEU-LTIDMASMSA-N 287.403 2.988 0 1 CFAF CCc1cnn2c(O)cc(Cc3sc(C)nc3C)nc12 103525059 KOAACSFCDVPJBT-UHFFFAOYSA-N 288.376 2.661 0 1 CFAF CNc1ncnc2c1ncn2Cc1ccccc1Cl 25970751 WQVOZUKPIPGTLW-UHFFFAOYSA-N 273.727 2.570 0 1 CFAF CC(C)C(=O)N1CC[C@]1(C)C(=O)Nc1ccc2[nH]ccc2c1 61898104 UEZPTZXEGUKVSN-QGZVFWFLSA-N 299.374 2.753 0 3 CFAF Cc1[nH]cnc1Cn1ccc2ccc3c(ccn3C)c2c1=O 26986779 ZRYYCDGAPAIOAH-UHFFFAOYSA-N 292.342 2.573 0 1 CFAF CC(=O)OCC1=C2C=C3[C@H](C)CCC[C@]3(C)C[C@H]2OC1=O 2356498610 CZLXFQZSUNNOPS-IGGJQXEISA-N 290.359 2.928 0 1 CFAF COc1ccc([C@]2(C)NCCc3cc(O)ccc32)cc1 2356708757 BIFZKSNCEQHVMY-KRWDZBQOSA-N 269.344 2.810 0 1 CFAF CN(C)c1cccc(N2Cc3ccccc3C2=O)c1 29038499 DFXKBXMPORTYIF-UHFFFAOYSA-N 252.317 2.913 0 1 CFAF CC1=C[C@H](C)[C@]2(CO)CO[C@H](c3cccnc3)[C@@H]1[C@H]2C 195350686 ZIVNUWICSJWDPM-GWCDLVAZSA-N 273.376 2.980 0 1 CFAF NC[C@H]1C[C@@H]1c1c(OCCF)ccc(Cl)c1F 653707683 DSHRLEYUYDHKAE-SFYZADRCSA-N 261.699 2.890 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(=O)O)o1)O2 587404128 NQXDDOVVXPXTQL-CYBMUJFWSA-N 287.271 2.575 0 1 CFAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(F)c(F)cc2[nH]1 587963528 OACNYUHKQQUMKN-JGVFFNPUSA-N 264.275 2.999 0 1 CFAF CC[C@H]1CC[C@@H](C)c2cc3c(O)nc(O)nc3nc21 587561817 MFJCIKFXPGGSAR-SFYZADRCSA-N 259.309 2.827 0 1 CFAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cnccc2[nH]1 586881669 HUVGAYJMITYBHU-UHFFFAOYSA-N 293.326 2.887 0 1 CFAF Cc1ncsc1CCc1nc2ccc(C(=O)O)cc2[nH]1 587028521 UZMMHBDUWKLJNT-UHFFFAOYSA-N 287.344 2.811 0 1 CFAF O=C1C[C@@H]([C@@H]2CCOC2)Oc2c1ccc1c2CCCC1 587529989 AFYXEVKPDDWWCR-WBMJQRKESA-N 272.344 2.936 0 1 CFAF COC(=O)[C@@H]1CCC[C@@]2(C1)NCCc1ccc(F)c(C)c12 962095980 YVTDSIQLPIMJDS-DYVFJYSZSA-N 291.366 2.838 0 1 CFAF CC(=O)C[C@@]1(C(F)F)NCCc2c1sc(C)c2C 963029211 RFFGKLGVWOCHJR-CYBMUJFWSA-N 273.348 2.950 0 1 CFAF CC(C)c1nc([C@@H]2NCCc3nc4ccccn4c32)co1 962980222 CCQHJYWULJMTIG-AWEZNQCLSA-N 282.347 2.681 0 1 CFAF O=C1/C(=C/c2ccccc2F)N=C2SCCCN12 169324362 XOZIBMDIBNQQDV-FLIBITNWSA-N 262.309 2.502 0 1 CFAF O=C(Cn1cccc1)N[C@@H]1CCCc2ccccc21 4104172 IJZSERPYFFEIBD-OAHLLOKOSA-N 254.333 2.682 0 3 CFAF COCc1ccc(S(=O)(=O)Cl)cc1Br 101686163 VYWZHSYNDZBDJJ-UHFFFAOYSA-N 299.573 2.523 0 1 CFAF Cc1c(C)c2c(c(C)c1O)S[C@H](CCC(=O)O)O2 29316820 NVSUBJYJEMTJRL-SNVBAGLBSA-N 268.334 2.993 0 1 CFAF COC1=C2C=CO[C]2Nc2cc(OC)c(OC)cc21 2356864178 SAYUMCVAMKOGIR-UHFFFAOYSA-N 260.269 2.520 0 1 CFAF COc1ccc([C@@H](c2ccccc2)[C@H](O)CN(C)C)cc1 39245483 RWNCKDRONMTFQS-QZTJIDSGSA-N 285.387 2.750 0 1 CFAF COc1cc2[nH]c3c(c2cc1OC)C[C@@H](N(C)C)CC3 39332158 DNHVUOOLXSZAOY-JTQLQIEISA-N 274.364 2.604 0 1 CFAF O=C(O)c1cc(CCc2ccc(Cl)cc2)n[nH]1 36473265 DXGVGZAHOJEBES-UHFFFAOYSA-N 250.685 2.547 0 1 CFAF CCCc1nnc2n1N=C1c3ccccc3C[C@H]1S2 72118903 UBBXYJZIHOSESL-LLVKDONJSA-N 270.361 2.513 0 1 CFAF Nc1cccc(OC[C@@H]2CN(c3ccccc3)C(=O)O2)c1 49784720 BLUSREMVCGEPFC-HNNXBMFYSA-N 284.315 2.673 0 1 CFAF C[C@H](C(=O)O)[C@@H]1CC[C@@H](C)[C@H]2CCC(C(=O)O)=C[C@@H]12 238753706 KRUUDBOQHFKKKU-XUEURGHRSA-N 266.337 2.790 0 1 CFAF N=c1[nH]c2c(s1)CCc1c-2nc2cccc3c2c1CC3 587361574 WBIOXDMUJYTORK-UHFFFAOYSA-N 279.368 2.968 0 1 CFAF COc1cc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c2cn1 587243128 AXWDNZDKIMONMN-BQYQJAHWSA-N 294.314 2.618 0 1 CFAF CCn1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C 587389554 BHWKIRRJTZYMOZ-HNNXBMFYSA-N 285.347 2.809 0 1 CFAF Fc1cc2[nH]c(CC3OCCO3)nc2cc1C(F)(F)F 586908349 NIPJKVQVUMTLJJ-UHFFFAOYSA-N 290.216 2.636 0 1 CFAF Cc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@H]2C1=O 13151826 OEFIMFXOJBQDJU-IKARSPCKSA-N 267.328 2.697 0 1 CFAF CC(C)=C[C@H]1N[C@@H](C(=O)O)Cc2c[nH]c3cccc1c23 13399517 VZMAHZAQMKNJIG-ZIAGYGMSSA-N 270.332 2.774 0 1 CFAF in-vitro COc1cc2c3c([n+](C)ccc3c1)[C@H](O)c1ccccc1-2 13400113 ZUKNCELFUVSFHM-GOSISDBHSA-N 278.331 2.735 0 1 CFAF COCc1c2occc2c(OC)c2ccc(=O)oc12 13556047 ZWXIHMRDDXGSHC-UHFFFAOYSA-N 260.245 2.694 0 1 CFAF Cc1ccccc1C(=O)Nc1nnc(-c2ccncc2)o1 4107495 CZZQWRCBEWLECO-UHFFFAOYSA-N 280.287 2.692 0 3 CFAF O=C1O[C@@](O)(c2ccccc2O)c2cccc3cccc1c23 6567976 UDHWWTKHXCNBTN-SFHVURJKSA-N 292.290 2.909 0 1 CFAF O=C(O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2OCC[C@@H]21 59920315 IDLFKXPQOUGXNN-ONOSFVFSSA-N 287.237 2.662 0 3 CFAF CN(C)CCCOc1ccccc1-c1nc2ncccc2[nH]1 29204101 CSAVXKGJAWRUNH-UHFFFAOYSA-N 296.374 2.955 0 1 CFAF NCCNCc1ccc2ccc(-c3ccccc3)nc2c1 28248543 GJEZKOHNJYXTTO-UHFFFAOYSA-N 277.371 2.950 0 1 CFAF COc1ccc(-c2c(CO)oc3ccccc3c2=O)c(O)c1 66066265 JYRSFZYHPAHZHX-UHFFFAOYSA-N 298.294 2.667 0 1 CFAF COc1cc(CN2CCc3[nH]ncc3C2)c2ccccc2n1 32576705 ANPGUHAGIIZFPC-UHFFFAOYSA-N 294.358 2.525 0 1 CFAF O[C@]1(Cc2ccccc2Cl)c2ccccc2C2=NCCN21 34821382 FIYKXALWENHXFV-QGZVFWFLSA-N 298.773 2.804 0 1 CFAF COc1cncc(-c2ccc3c(c2)CCC(=O)N3)c1 40380414 AGJMKOWUYMABQR-UHFFFAOYSA-N 254.289 2.642 0 1 CFAF CCOc1ccc(N)c(C(=O)Nc2nc(C)cs2)c1 40901164 ZPABBDZEZVRDGV-UHFFFAOYSA-N 277.349 2.685 0 1 CFAF CC[C@H](C[C@H]1COC(N)=N1)c1cc(F)cc(F)c1 149324915 SGBNJJRVZMBCKI-PELKAZGASA-N 254.280 2.562 0 1 CFAF COC(=O)C/C=C(/C)C1=C(C)CC[C@H]2[C@H](C)C(=O)O[C@H]12 523041959 YVXVQMWUXKMTIT-VBCXXGINSA-N 278.348 2.784 0 1 CFAF biogenic COC(=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1[C@@H]2SC(F)(F)C1(F)F 263597730 HCPVBBPSFIHYAT-FMDGEEDCSA-N 284.274 2.775 0 1 CFAF O=[N+]([O-])c1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1 390607641 HIIILTCZWIUEDV-AWEZNQCLSA-N 297.270 2.984 0 1 CFAF OCCc1nc2ccc(Oc3ccccc3)cc2[nH]1 586894789 VBOYTQLGUGKLIH-UHFFFAOYSA-N 254.289 2.890 0 1 CFAF Cc1c(C)c(O)n(-c2ccnc(Br)c2)c1O 587939189 CLDRTSSUGZJYFZ-UHFFFAOYSA-N 283.125 2.663 0 1 CFAF Cc1cc2nc([C@H](O)C3CCOCC3)[nH]c2cc1C 586913860 RCKKLDOQIAKMLF-CQSZACIVSA-N 260.337 2.640 0 1 CFAF N=C(N)c1ccc2nc(-c3cc(S)ccc3F)[nH]c2c1 587143137 XPCKFUNUEBWXRL-UHFFFAOYSA-N 286.335 2.942 0 1 CFAF COc1ccc2nc(C3(c4ccccc4O)CC3)[nH]c2n1 586897224 VRIZWJWTHAZISD-UHFFFAOYSA-N 281.315 2.752 0 1 CFAF C[C@@H](O)c1ncc(-c2nc3ccnc(Cl)c3[nH]2)s1 587021876 LVPKOUWLEKDVMD-RXMQYKEDSA-N 280.740 2.788 0 1 CFAF CCCC/C=C\c1nc2c(C(=O)OC)ccnc2[nH]1 587965935 QJRDETSONFBURL-SREVYHEPSA-N 259.309 2.948 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C(=O)c1ccccc1)O2 587404907 HLFBRFZRWSLRKD-OAHLLOKOSA-N 281.311 2.794 0 1 CFAF Cc1c(F)ccc2c1[C@@H](c1ccnn1C(F)F)NCC2 962148796 UYKHWYXKLOKRAF-CYBMUJFWSA-N 281.281 2.961 0 1 CFAF c1ccc(-c2ccc3c(c2)CCN[C@@H]3c2nc[nH]n2)cc1 962667831 NDESLJIRCJRNOV-INIZCTEOSA-N 276.343 2.707 0 1 CFAF COc1ncncc1[C@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963099641 PMRWASWWIBXBQF-XJKSGUPXSA-N 299.349 2.734 0 1 CFAF O=C(O)/C(=C/c1ccccc1)CCCCP(=O)(O)O 1857773648 ITPMTYFRAWWYKM-ZRDIBKRKSA-N 284.248 2.503 0 1 CFAF COc1ccc(-n2cc3c(=O)[nH]c4ccccc4c3n2)cc1 13648690 CNHTZPNBXUMLLT-UHFFFAOYSA-N 291.310 2.876 0 1 CFAF C[C@H]1C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C 14615968 SIQKNJDHWYZFFT-APNQJHFZSA-N 272.392 2.514 0 1 CFAF COC(=O)[C@@H]1C=CC[C@@H]2CCCC[C@]21N1CCCC1 16953353 KGVIFVCQEQXNSN-DZKIICNBSA-N 263.381 2.760 0 1 CFAF COc1cc(N[C@@H](C)CCCN)c2nc(OC)ccc2c1 169319983 BGUBADAHPCNBLL-NSHDSACASA-N 289.379 2.791 0 1 CFAF CN1C=CN(COCCC[Si](C)(C)C)/C1=C/N=O 209126385 MSDXFCQFXCJYBP-ZRDIBKRKSA-N 269.421 2.973 0 1 CFAF Oc1nc2ncc(-c3ccco3)nc2n1Cc1ccccc1 1857630692 WJURLJSNFZAWNE-UHFFFAOYSA-N 292.298 2.840 0 1 CFAF CC(C)(COCCCO)Nc1cccc2c1CCC[C@H]2O 4096583 SFNBNGKPWMCRRZ-MRXNPFEDSA-N 293.407 2.646 0 1 CFAF in-vitro Cc1ccc([C@@H](C)CC[C@H](O)C(C)(C)O)c(O)c1 6522333 KTAWETOFXZGHAI-FZMZJTMJSA-N 252.354 2.716 0 1 CFAF COc1cc2c(O)c(-c3ccc(O)cc3)coc-2cc1=O 100200498 IHWHQBYXCHCMAJ-UHFFFAOYSA-N 284.267 2.831 0 1 CFAF in-vitro COC(=O)c1cc(OC)c2[nH]c3ncccc3c2c1 28863377 SOCJLMDPRUCRON-UHFFFAOYSA-N 256.261 2.511 0 1 CFAF c1cnc2[nH]c(C3CCCCC3)c(C3=NCCN3)c2c1 28871710 VQAFAMXAELOBHW-UHFFFAOYSA-N 268.364 2.960 0 1 CFAF CC1=C[C@@H]2[C@H](C[C@@H]1O)C(C)=CC[C@H]2[C@H](C)C(=O)O 2356497966 FHZJEKGROMUBDB-HPCHECBXSA-N 250.338 2.617 0 1 CFAF CC=CC=C[C@H](CC(=O)O)Nc1ccc(C=O)cc1 2356710959 AUFWENFXRHUNPX-CQSZACIVSA-N 259.305 2.887 0 1 CFAF CC(C)[C@@H]1CC(=O)c2cc([C@@H](C)C(=O)O)ccc2O1 72283559 IMEPSBLHFMECET-OTYXRUKQSA-N 262.305 2.865 0 1 CFAF CO[C@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C 85997672 MUPAOXGYJYRUDB-LBPRGKRZSA-N 260.289 2.522 0 1 CFAF Cc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2O)cc1 95604824 CEQRUFDOGAMSLA-UHFFFAOYSA-N 299.298 2.780 0 3 CFAF Cc1ccc(C(=O)Oc2cccc3oc(=O)[nH]c23)cc1 95602543 FEYYQMYXKZTTLI-UHFFFAOYSA-N 269.256 2.649 0 1 CFAF O=S1(=O)N[C@H](CC2=CCCCC2)[C@H]2CCCC[C@H]2O1 254029429 ZOYSOWHUNKOULN-MGPQQGTHSA-N 285.409 2.669 0 3 CFAF CC(=O)N1c2cc(COc3ccccc3)nn2CC[C@H]1C 473149160 IHRUOBGUAASDAB-GFCCVEGCSA-N 285.347 2.607 0 1 CFAF Nc1cc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2cc1N 586898064 KVNSDTODQSRHGA-UHFFFAOYSA-N 294.358 2.979 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1oc(C)nc1C)[C@@H](C2)C3=O 587436328 NWLLOHMEDSRMSA-YVEFUNNKSA-N 299.326 2.963 0 1 CFAF Cc1ccnc2[nH]c(CCOc3ccc(C=O)cc3)nc12 587566380 JWBBSILOYMVVNA-UHFFFAOYSA-N 281.315 2.700 0 1 CFAF COc1cc(OC)c2[nH]c(C[C@H]3CCC(=O)[C@H]3C)nc2c1 587963716 QZKKGIHSUGVWHP-VHSXEESVSA-N 288.347 2.738 0 1 CFAF O=C1C[C@@H](c2ccc(O)nn2)Oc2c1ccc1c2CCCC1 587525031 LRTXQEIQRONMNC-HNNXBMFYSA-N 296.326 2.768 0 1 CFAF Cc1ccc2c(ccc3nc([C@H](N)C4CC4)[nH]c32)n1 587255268 ATDVTMXLZVPDSJ-CYBMUJFWSA-N 252.321 2.829 0 1 CFAF COc1cccc(Cc2nc3c(C)nccc3[nH]2)c1 587930466 GOHNQUKKDCNXRB-UHFFFAOYSA-N 253.305 2.866 0 1 CFAF CC[C@]1(C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587526559 UMNJXCPLCNMXMR-QGZVFWFLSA-N 288.343 2.852 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1[nH]nc3ncccc13)O2 587396380 JYIKRRIPZZRALI-ZDUSSCGKSA-N 294.314 2.555 0 1 CFAF c1ccc2c(c1)OC[C@@H](c1nc3cc4c(cc3[nH]1)OCO4)O2 586919000 VVYHMNZQQJNUTF-HNNXBMFYSA-N 296.282 2.804 0 1 CFAF CCCn1nccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587391526 NDHLKDOHOJPVKR-HNNXBMFYSA-N 285.347 2.890 0 1 CFAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cncnc2[nH]1 587150591 MICFRHADADAKQJ-ZETCQYMHSA-N 276.246 2.771 0 1 CFAF COc1cncc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c12 587175280 XHWYZAQZDASJDV-LBPRGKRZSA-N 285.278 2.782 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccn(C(F)F)n1)O2 587382901 PLJCNVOIBLKAHG-LBPRGKRZSA-N 293.273 2.875 0 1 CFAF CN(C)C(=O)C[C@H]1CCc2c1nc1cccc3c1c2CC3 587212620 KCYGCVLWVIZHFJ-GFCCVEGCSA-N 280.371 2.842 0 1 CFAF C[C@@]1([C@@H]2CO2)CC(=O)c2ccc3c(c2O1)CCCC3 587536492 URUNVXFNRKIMAN-HOCLYGCPSA-N 258.317 2.688 0 1 CFAF Cc1ccc([C@]2(C)NCCc3c2c(C(C)C)nn3C)cc1N 962918027 MNVQQBNECSEVJY-SFHVURJKSA-N 298.434 2.843 0 1 CFAF NCc1ccc(-c2cnccc2-c2cncnc2)s1 1857536790 WILDDUGWNZAJGC-UHFFFAOYSA-N 268.345 2.726 0 1 CFAF Cc1[nH][nH]c(=N)c1-c1cccc(OC(F)(F)F)c1 1857648364 TZWCJEQQTGCAPE-UHFFFAOYSA-N 257.215 2.696 0 1 CFAF CC1(C)CCc2[nH]c3cccc4c(=O)[nH]nc1c2c34 150199698 WCAMYOIGSKFYKH-UHFFFAOYSA-N 253.305 2.628 0 1 CFAF Oc1ccc2c(c1)CN1CCc3cc4c(cc3[C@H]1C2)OCO4 1857574896 UXTXSJBQPGSGMT-MRXNPFEDSA-N 295.338 2.776 0 1 CFAF NCc1cc(=O)c2ccc(OCc3ccccc3)cc2o1 1857578911 MVGRXFGMYADQNW-UHFFFAOYSA-N 281.311 2.831 0 1 CFAF CC[C@@]1(c2ccccc2)OC[C@@H]([C@H]2CCCCN2)O1 4213199 INOYCBNLWYEPSB-OWCLPIDISA-N 261.365 2.807 0 1 CFAF COC(=O)/C=C/[C@@H]1[C@H]2[C@@]1(C)[C@@H](C)CC[C@]21OCCS1 103131950 KEMPVPODOJBOPZ-WLHGBBKTSA-N 282.405 2.858 0 1 CFAF COC(=O)c1cc2c([nH]c3ncc(C)cc32)c(C)n1 28867808 OVNXGSTWCXWNMU-UHFFFAOYSA-N 255.277 2.515 0 1 CFAF CC1(C)OC(C)(C)c2c1ncc(-c1ccccc1)[n+]2[O-] 27555759 XCUAOWZLMIPZKU-UHFFFAOYSA-N 270.332 2.882 0 1 CFAF CN1C=CN(COCCCc2ccccc2)/C1=C/N=O 136840955 SYVBUHCFIUTJIU-NTCAYCPXSA-N 273.336 2.877 0 1 CFAF CN(C)c1ncnc2[nH]cc(-c3cc(F)cc(C#N)c3)c12 224896370 HSYAZHAPKUYSIM-UHFFFAOYSA-N 281.294 2.702 0 1 CFAF C[C@@H]1CC[C@H]2C(C(=O)O)=C[C@@H]3C[C@@](C)(C(=O)O)C[C@]312 1911573056 QSIMJRXFJWPULN-JJYNOQPESA-N 264.321 2.544 0 1 CFAF NC(=O)c1cnc(N)c2cc(-c3cccc(F)c3)ccc12 144754234 LGXMELXVRWYYDN-UHFFFAOYSA-N 281.290 2.722 0 1 CFAF CNc1c(F)cccc1-c1nc2ccnc(OC)c2[nH]1 587135597 JFYSJTWKCGYPEJ-UHFFFAOYSA-N 272.283 2.814 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(C(=O)CC(C)C)[C@@H](C2)C3=O 587442075 JTBVXBBZGLKOJX-YVEFUNNKSA-N 288.343 2.817 0 1 CFAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccccn1 587651518 VRSPZSIIWXPSDH-UHFFFAOYSA-N 286.356 2.942 0 1 CFAF Nc1cnc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)nc1 587252673 IMRZKRDHJUASQY-UHFFFAOYSA-N 297.215 2.760 0 1 CFAF CCc1ccc(-c2nc3c(O)nncc3[nH]2)cc1CC 586878334 DFVMODIJUCCPQE-UHFFFAOYSA-N 268.320 2.850 0 1 CFAF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3CCOC3)nc2c1 586912999 YXWIJQYLJFOFET-SSDOTTSWSA-N 280.711 2.507 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccn1C)O2 587388760 ASMGZFQLGXQZII-INIZCTEOSA-N 270.332 2.796 0 1 CFAF N=c1[nH]ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 587950520 LZBITNVVSUVOMP-UHFFFAOYSA-N 298.390 2.856 0 1 CFAF CCn1cncc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587392078 VZQPZBQKLBOTSV-AWEZNQCLSA-N 271.320 2.500 0 1 CFAF C=C1Nc2c3c(F)cccc3nn2C(C)=C1CC(=O)O 957647275 QRDKTAUWTDQXNW-UHFFFAOYSA-N 273.267 2.820 0 1 CFAF CC1=C(C[C@@H]2/C(=C(/C)CO)CC[C@@H]2C)C(=O)OC1 1857552503 FEYHJZQCAXJZPK-YTLWUZPKSA-N 250.338 2.605 0 1 CFAF CCc1cc(NCc2nc3c(N)cccc3o2)c(=O)[nH]c1C 5847546 AHEYSRKIEMBSMF-UHFFFAOYSA-N 298.346 2.581 0 1 CFAF Cc1ccc(CCN[C@H]2CCCc3c2ccc(=O)n3C)cc1 13743274 HXQPCYMEBCABSN-KRWDZBQOSA-N 296.414 2.903 0 1 CFAF CC(=O)OC[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 13779623 HJKKWIJTYBPLCJ-DZGCQCFKSA-N 281.783 2.938 0 1 CFAF Cc1ccc(-c2nc3cccc4c3n2CCNC4=O)cc1 13858432 WQKOQOZXZQJNRC-UHFFFAOYSA-N 277.327 2.755 0 1 CFAF CCOC(=O)[C@@H]1C(C)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 169700203 NCBIHQLXQNNRPV-VXGBXAGGSA-N 294.738 2.745 0 1 CFAF C[C@H]1CO[C@@]2(c3ccccc3)c3ccccc3C(=O)N12 6495224 VTYRAULVRJDWJZ-SJCJKPOMSA-N 265.312 2.762 0 1 CFAF Cn1c(=N)n(CC(=O)c2ccccc2Cl)c2ccccc21 29127569 LEVQDKLVFXRBOX-UHFFFAOYSA-N 299.761 2.996 0 1 CFAF Nc1nc(-c2ccco2)c2ncn(Cc3ccccc3)c2n1 28524557 FZKKCBUDFSOYPA-UHFFFAOYSA-N 291.314 2.717 0 1 CFAF in-vivo Cc1cccc(-n2ccnc(NCCC(C)C)c2=O)c1 21536894 OEYRMGXIIRKKEE-UHFFFAOYSA-N 271.364 2.999 0 1 CFAF C[C@H](Nc1ccc(C(=O)c2ccccc2)cc1)C(=O)O 53044896 VKBLQCDGTHFOLS-NSHDSACASA-N 269.300 2.803 0 1 CFAF CCCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 36270511 NVEZXQPMVSTLDV-LBPRGKRZSA-N 298.308 2.758 0 1 CFAF CCOC(=O)c1cnc(NC2CCCCC2)c(N)c1 137988085 VZGZQVDCBWXKRP-UHFFFAOYSA-N 263.341 2.585 0 1 CFAF O=C1CS[C@@H](c2ccc(F)cc2)N1c1ccccn1 40404356 ZGNRNMZSQXWABI-AWEZNQCLSA-N 274.320 2.999 0 1 CFAF C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccccc2)CC(=O)O1 95665500 WZQFXUZVDOKBHE-MWDOINLKSA-N 287.359 2.906 0 1 CFAF CNc1nc(Nc2ccccc2OC)ncc1Cl 95552645 AGIGZRMODPEFNF-UHFFFAOYSA-N 264.716 2.924 0 1 CFAF Nc1ncc([C@H]2C[C@H]3CC[C@H]2N3)cc1-c1ccccc1 253638655 ABSIBSJUOJFQHU-IIAWOOMASA-N 265.360 2.939 0 1 CFAF Cc1cc(OCCCN(C)C)nc(-c2ccccc2)n1 299828950 HMQTYWAJZQBKLI-UHFFFAOYSA-N 271.364 2.783 0 1 CFAF Nc1cc(F)c(-c2nc3ccc(F)cc3[nH]2)cc1N 587136902 KVIZTEBDTSXRIB-UHFFFAOYSA-N 260.247 2.673 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(C(=O)CCC[C@@H]1C)[C@@H](C2)C3=O 587447618 UGAINIPYZWWFMA-YALKKGATSA-N 286.327 2.571 0 1 CFAF COc1ccc2c(c1)CCC=C2Cc1nc2cnncc2[nH]1 587936134 ZMFWNVKKDVZWNX-UHFFFAOYSA-N 292.342 2.934 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ncsc1C)[C@@H](C2)C3=O 587449477 ASGVXCWSCPMIAR-ZUZCIYMTSA-N 287.340 2.949 0 1 CFAF Cc1cnc2[nH]c([C@@H](C)Sc3ncccn3)nc2c1 586963010 DHIFFOLNPLMMHE-SECBINFHSA-N 271.349 2.910 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3C=CC[C@H]31)O2 587409459 VAQMVPFWDLIJDJ-NSODJVPESA-N 255.317 2.877 0 1 CFAF CC[C@H]1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O 587406192 QRTNRNBEWPJOIS-MGPLVRAMSA-N 273.332 2.670 0 1 CFAF COc1cc(OC)c2[nH]c(C[C@H](C)CCC(=O)O)nc2c1 587962295 CWLJGQKAYPFFEN-SECBINFHSA-N 292.335 2.624 0 1 CFAF CCOc1ccc2c(NCCCN(C)C)ccnc2c1 1857549972 XJXHLYHDFMZTMX-UHFFFAOYSA-N 273.380 2.997 0 1 CFAF COc1ccc(CCCCCC(=O)N2CCOC2=O)cc1 1857645472 ATQUZFDIBGBJLT-UHFFFAOYSA-N 291.347 2.777 0 1 CFAF CCN1c2nc(C)ccc2C(=O)N(C)c2cccnc21 5841344 RNPIJLYEIKAEGF-UHFFFAOYSA-N 268.320 2.533 0 1 CFAF Cc1cc2c(c3c1O[C@H](O)[C@@H]3O)-c1ccc(O)c(C)c1CC2 14723405 RDLDQEWYXLYSNL-AEFFLSMTSA-N 298.338 2.519 0 1 CFAF C[C@@H]1C[C@]23CCN(C)[C@H](Cc4ccccc42)[C@@]3(C)O1 169316855 XAGLFILTPKTXGZ-BASLNEPJSA-N 257.377 2.752 0 1 CFAF COC[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169370135 CCDRAFCULRDJSC-FXBSMAROSA-N 268.353 2.628 0 1 CFAF O=C(NCc1ccccc1)c1ccc2nnsc2c1 76962 ZYTZSFBLVSXWGP-UHFFFAOYSA-N 269.329 2.621 0 3 CFAF c1ccc(N2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 3998529 MVECBLIDFXQFDF-UXLLHSPISA-N 256.393 2.997 0 1 CFAF C[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 6932584 GLZDTDXBBMOGIV-LBPRGKRZSA-N 285.395 2.789 0 1 CFAF CO/C(O)=C1\C(C)=NC(C)=C([N+](=O)[O-])[C@H]1c1ccccn1 27559342 VJFITSNKHWJKLB-SEVUAYLXSA-N 289.291 2.564 0 1 CFAF O=N/C=C1/C=CC=CN1COCN1C=CC=C/C1=C/N=O 137803896 WZAFHMORPYBDOA-FOIMCPNXSA-N 286.291 2.905 0 1 CFAF CSc1nc2ccccc2n1-c1csc(=N)[nH]1 1911572232 XETYHBVIWWJXFY-UHFFFAOYSA-N 262.363 2.616 0 1 CFAF CC(C)CN(C(=O)c1cccc(Cl)c1F)[C@H]1CCNC1 48998707 UWLXWGKTAMTBSF-NSHDSACASA-N 298.789 2.939 0 1 CFAF in-vitro Cc1ccc(OCP(=O)(O)O)c2c1Cc1scnc1-2 45358902 FTRHUXRCCTYSFE-UHFFFAOYSA-N 297.272 2.537 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1OCCC1(C)C)O2 587412803 PBXGRXDIKWQNGT-ZFWWWQNUSA-N 275.348 2.726 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(C=O)c1O)O2 587405296 VNVHMNRMEKXXDF-OAHLLOKOSA-N 297.310 2.802 0 1 CFAF CC(C)[C@@H](c1nc2cc(Cl)ncc2[nH]1)N(C)C 587199185 YUWWOEOGTTVQSZ-NSHDSACASA-N 252.749 2.870 0 1 CFAF Cc1cc(C)c2[nH]c([C@@H]3CC(=O)OC3(C)C)nc2c1 586911293 RFZAZJLLHWSRJZ-JTQLQIEISA-N 258.321 2.989 0 1 CFAF Oc1nc2cc3nc(-c4cnc(Cl)s4)[nH]c3cc2[nH]1 587023149 LJRBALPSNQAEFL-UHFFFAOYSA-N 291.723 2.922 0 1 CFAF COc1cc2c3c(c1)O[C@@H](C(=O)c1ccccc1)[C@@H](C2)C3=O 587445525 KRAIBWRRLHENKI-SCLBCKFNSA-N 294.306 2.694 0 1 CFAF NC(=O)Nc1ccc(-c2nc3ncc(Cl)cc3[nH]2)cc1 587243420 LAVMPULUNQACKS-UHFFFAOYSA-N 287.710 2.769 0 1 CFAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1CC(F)(F)F 587649432 JMJJZZXCPZKPGB-UHFFFAOYSA-N 291.294 2.985 0 1 CFAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)OC)CC2=O 587479259 MKQUANUAAGEQSA-INIZCTEOSA-N 292.331 2.632 0 1 CFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)N(C)C1 587479709 UQOKNLGGWUIUTA-GTNSWQLSSA-N 289.375 2.773 0 1 CFAF O=c1ccn(-c2ncccc2-c2ccccc2)cc1O 150213745 KIGXDPHWDLSPPT-UHFFFAOYSA-N 264.284 2.605 0 1 CFAF C[C@@H](O)[C@@]1(C)c2ccsc2CCN1Cc1ccco1 962711721 USYSSLVYBLLJJI-ABAIWWIYSA-N 277.389 2.995 0 1 CFAF Cc1ccnc([C@]23SCCN2C(=O)c2ccccc23)c1 5931465 XVSJAAVZQFEIFT-INIZCTEOSA-N 282.368 2.794 0 1 CFAF CCCCCCC(=O)c1csc(S(N)(=O)=O)c1 13736774 CJUBFDAFXFXZIS-UHFFFAOYSA-N 275.395 2.549 0 1 CFAF CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCCN(C)C1 14969304 HGPOZORNFWQRHW-MRXNPFEDSA-N 297.345 2.782 0 1 CFAF O=C(O)CCCc1nc(O)c2cc3c(cc2n1)CCCC3 1857748734 IFMNNBRJDGUTKZ-UHFFFAOYSA-N 286.331 2.622 0 1 CFAF C[C@@H](O)c1ccc2c(c1)S(=O)(=O)c1ccccc1O2 3600290 CNBXNOMIYWIOAD-SECBINFHSA-N 276.313 2.678 0 1 CFAF CC[C@@H](C)NC(=O)Cn1cccc1C(=O)c1ccccc1 4101242 HUVWYKPMSIFJQM-CYBMUJFWSA-N 284.359 2.634 0 3 CFAF CC(C)n1nc(-c2cccc(O)c2F)c2c(N)ncnc21 8581898 RXNGGTYNZUEFOM-UHFFFAOYSA-N 287.298 2.501 0 1 CFAF COCCCNC(=O)c1cc(-c2ccc(F)cc2)[nH]c1C 9405096 VADBOGUKGSTJFX-UHFFFAOYSA-N 290.338 2.896 0 1 CFAF Cn1cc(-c2cnc(N)c(-c3nc4ccccc4o3)c2)cn1 53226675 HIGWDHIANYCKFL-UHFFFAOYSA-N 291.314 2.873 0 1 CFAF C[C@@H](CC1CCCCC1)OC(=O)[C@@H]1CCCN1C#N 28340487 ITTAWEBSDKYKKK-JSGCOSHPSA-N 264.369 2.834 0 1 CFAF Cc1nn(C)c(O)c1C(=N)c1ccc(C(F)(F)F)cc1 29479865 MBXWIPYKOJWYDP-UHFFFAOYSA-N 283.253 2.869 0 1 CFAF O=C1c2ccccc2O[C@H](c2cccnc2)[C@H]1n1ccnc1 27326372 GYKYMKFFXFAOFE-DOTOQJQBSA-N 291.310 2.836 0 1 CFAF O=c1c2c3c(sc2nnn1-c1ccccc1)CCCC3 64746726 GAACZZPTHCZDLQ-UHFFFAOYSA-N 283.356 2.721 0 1 CFAF COc1ccc2c(=O)c(-c3ccc(O)cc3)c(CO)oc2c1 66074211 UMFXWOPCUBRRGG-UHFFFAOYSA-N 298.294 2.667 0 1 CFAF CCn1c(O)c2cnc(=S)nc-2c2ccccc21 3847580 DCZRMDBCKDOYBW-UHFFFAOYSA-N 257.318 2.991 0 1 CFAF biogenic NC(N=O)=C1C=CN(CCCN2C=CC(=CN=O)C=C2)C=C1 199111294 CUHOFHGNYKQZOY-UHFFFAOYSA-N 299.334 2.650 0 1 CFAF CCOC(=O)c1c2cccccc-2c(C(=O)OCC)c1O 196422110 SMBLZBIWJWFQMD-UHFFFAOYSA-N 288.299 2.850 0 1 CFAF Oc1cccc([C@H]2NC(=S)Nc3ccc(F)cc32)c1 87722313 JITUTCSREVHKJH-CYBMUJFWSA-N 274.320 2.921 0 1 CFAF COc1cc2c(cc1OC)[C@H](c1cccc(N)c1)NCC2 40879962 FGZKNBGSZGGCGF-KRWDZBQOSA-N 284.359 2.521 0 1 CFAF C[C@H]1[C@@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3C)CC(=O)[C@@H]1C 40670222 UXGGGGCNEATCRR-UFGNHEQISA-N 299.414 2.751 0 1 CFAF CN1C[C@H]2CN(c3ccc(-c4ccccc4)nc3)C[C@@H]2C1 40975115 UJLKEVKJFLTZAG-HOTGVXAUSA-N 279.387 2.746 0 1 CFAF CC(=O)NCCC1=CCc2ccc3nc(C)oc3c21 96174390 VPQSZGPHOIJAFK-UHFFFAOYSA-N 256.305 2.602 0 1 CFAF CCO[C@@]12CC[C@@H]3C[C@@H]4CC[C@@](OCC)(O1)[C@H]4[C@@H]32 254201033 SORQIKMJIKCAHH-ZAQNNHEOSA-N 252.354 2.938 0 1 CFAF Cn1nc(C(F)(F)F)cc1-c1nc2cc(F)cnc2[nH]1 587117190 HSMJMWSCICLGAL-UHFFFAOYSA-N 285.204 2.516 0 1 CFAF COc1cc(O)ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587401055 UYBRARKCQHURDT-INIZCTEOSA-N 299.326 2.998 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3ccnn13)O2 587394207 DNRVERWNQNMKEY-MRXNPFEDSA-N 293.326 2.931 0 1 CFAF Cc1ccc2nc(CNC(=O)c3cscn3)[nH]c2c1C 587028829 ZOZVHSCPAGVBSU-UHFFFAOYSA-N 286.360 2.566 0 1 CFAF Nc1cccc(-c2nc3cccc(F)c3[nH]2)c1C(=O)O 587248159 GLYTUPUZYDUTQZ-UHFFFAOYSA-N 271.251 2.649 0 1 CFAF COc1cc(C)ccc1-c1nc2ccc(C(N)=O)cc2[nH]1 587926408 YWLKMEZELIINML-UHFFFAOYSA-N 281.315 2.646 0 1 CFAF Brc1ccnc2[nH]c(CC3CC3)nc12 587959076 LVZFEMXCTLGYEE-UHFFFAOYSA-N 252.115 2.673 0 1 CFAF CC1=C[C@@]2(C(=O)CO1)c1ccc(F)cc1C[C@@H]1CCCN12 963113812 ZYNUNWBKOWRXOP-YOEHRIQHSA-N 287.334 2.545 0 1 CFAF COc1c(O)ccc(C(=O)c2ccccc2)c1OC 14775877 MCDWVKGOMYTRRH-UHFFFAOYSA-N 258.273 2.640 0 1 CFAF CSCn1c(=O)n(-c2ccccc2)c2ncccc21 169320928 VWQQWFJKFYFQAA-UHFFFAOYSA-N 271.345 2.508 0 1 CFAF O=C1CCCCN1CCCCCCN1CCCCC1=O 5566858 IOCHFCXTYMJBIB-UHFFFAOYSA-N 280.412 2.572 0 1 CFAF O=c1[nH]c2ccccc2cc1-c1cccc(OCCO)c1 13584303 CAPTUZLISRNFKN-UHFFFAOYSA-N 281.311 2.566 0 1 CFAF in-vivo CN(C)C=C1c2cccc(O)c2C(=O)c2c(O)cccc21 13606549 ZZTKBPQTGXANMO-UHFFFAOYSA-N 281.311 2.593 0 1 CFAF Cc1cc(NC(=O)c2cc(-c3ccc(O)cc3)on2)no1 3907801 YZGRGHHNOONHPJ-UHFFFAOYSA-N 285.259 2.596 0 1 CFAF COc1ccc2[nH]cc(CCN3CCCC3)c2c1F 27877820 FJCRAYWNOXUYOO-UHFFFAOYSA-N 262.328 2.954 0 1 CFAF COc1ccc2c(c1)c(=O)c1c(n2C)OC(C)(C)CC1 28249308 XWRRFIFXGQJOHP-UHFFFAOYSA-N 273.332 2.651 0 1 CFAF CC1(C)C[C@H](OCCO)[C@]23CC[C@@H](O)[C@@](C)(CC[C@@H]12)C3 103216970 DUDVQQOMKAFVRV-AUOOEQCUSA-N 282.424 2.741 0 1 CFAF C=C(C=CSC)NCCCCNC(=O)C=CSC 2356587609 QUZZAZOISCQNFX-UHFFFAOYSA-N 286.466 2.740 0 1 CFAF CC[C@H](C)[C@@H]1OC(=O)c2c(O)c(C)cc(C)c2[C@@H]1O 2356756434 GFNHLBAMMYVPFE-GTNLGMRDSA-N 264.321 2.628 0 1 CFAF C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)OCC4=C3C=C[C@@]21C 33806573 NZWFKVWCAKLIHV-KCMWZYNZSA-N 286.371 2.913 0 1 CFAF Oc1noc(C2CCNCC2)c1-c1ccsc1 36088334 LRKIZSIATCYGSA-UHFFFAOYSA-N 250.323 2.576 0 1 CFAF CC(C)c1nn2ccccc2c1-c1ccc(O)nn1 71340665 HVJMIIQESHZSTK-UHFFFAOYSA-N 254.293 2.620 0 1 CFAF CCCC[C@@]1(O)c2nc(N)nc3c2[C@H](CC3)C[C@@H]1C 34398784 ODIYSPYVMYETKA-WMFXKJRFSA-N 261.369 2.506 0 1 CFAF Cc1cccc(O)c1-n1cc(C(=O)c2ccccc2)nn1 220560583 CTLFLURPOQVLBT-UHFFFAOYSA-N 279.299 2.512 0 1 CFAF CC1(C)CCC[C@]2(C)C3=C(CC[C@H]12)C(=O)O[C@H]3O 85846445 XTQKCVAXPOCYKT-YVLXSGLVSA-N 250.338 2.785 0 1 CFAF biogenic,in-vitro Cc1cccc2c3c([nH]c12)-c1[nH]c(=O)ncc1CCC3 82148967 YLLVBXXZPHJPPA-UHFFFAOYSA-N 265.316 2.715 0 1 CFAF COC(=O)C1=C[C@@H]2[C@@H]([C@]3(C)CO3)CC[C@@H](C)[C@H]2CC1 238759475 FMIHKGKVQDJFSU-TZHJVIJJSA-N 264.365 2.947 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](CC1COC1)CC2=O 587491583 ODWANPMSDJJNPU-NSHDSACASA-N 276.332 2.715 0 1 CFAF NC(=O)c1ccc2nc(-c3ccoc3C3CC3)[nH]c2c1 586902410 ZBAMLNVNQVUGLE-UHFFFAOYSA-N 267.288 2.799 0 1 CFAF CC[C@H](O)c1nc2ccc(OC(F)(F)F)cc2[nH]1 586900928 OJGBXHMXRLXLOD-VIFPVBQESA-N 260.215 2.905 0 1 CFAF C[C@]1(c2nc3cnccc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173684 GJIZFBINIMDUEI-MRXNPFEDSA-N 297.289 2.725 0 1 CFAF C[C@@H]1CC=CC[C@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587971130 UMUTZAHKUREOKK-MWLCHTKSSA-N 292.360 2.879 0 1 CFAF c1cnc2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2c1 587016402 LAGOVLKXNFIZQV-SNVBAGLBSA-N 272.333 2.933 0 1 CFAF Cc1ccnc2c1CCN[C@@]2(C)c1cccnc1Cl 963065447 DRQDYYHDTUNWER-HNNXBMFYSA-N 273.767 2.848 0 1 CFAF Cc1cc2c(c(C)c1CCO[N+](=O)[O-])CC(C)(C)C2=O 14516107 PNYVCWGOHTZAPL-UHFFFAOYSA-N 277.320 2.819 0 1 CFAF COc1cc(/C(C)=C/[C@@H](C)C(C)=O)oc(=O)c1C 15120872 MOPXMSJFYITBHO-GTUWVTDSSA-N 250.294 2.585 0 1 CFAF CCCCn1c(=O)c2ncn(C)c2c2ccccc21 1548061 CVLGNWUGFVTZRC-UHFFFAOYSA-N 255.321 2.688 0 1 CFAF COc1cccc2c1C(=O)c1c(cccc1OC)C2 2540908 BMEBRVCQDOADIN-UHFFFAOYSA-N 254.285 2.839 0 1 CFAF COC(=O)CC[C@@H]1CC[C@]2(O[C@@H](C)[C@@H](C)O2)[C@H]1C 2356335897 GRFWLIKOJLKQIX-YCGPCKTQSA-N 256.342 2.506 0 1 CFAF Fc1ccc(COc2cccc3c2cnc2ncnn23)cc1 103172193 NOIFHVYPUSDIDC-UHFFFAOYSA-N 294.289 2.996 0 1 CFAF CO[C@H](C)CN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C 100796794 OYOSCGNGSBDVQJ-COCCGSRQSA-N 289.419 2.951 0 1 CFAF Cc1cc(N)c2cc(NC(=O)c3cccnc3)ccc2n1 103237078 ICGDNMDQIYYXNT-UHFFFAOYSA-N 278.315 2.773 0 1 CFAF CC[C@@H](C)COc1cc([C@H]2CNC(=O)C2)ccc1OC 29233434 CTBFKVULAKMSGK-DGCLKSJQSA-N 277.364 2.724 0 1 CFAF O=C(c1ccccc1)c1cc(F)cc2c1OC[C@@H]2C(=O)O 28002159 GQJXAPTWDCTBLF-ZDUSSCGKSA-N 286.258 2.617 0 1 CFAF CC1(C)[C@H]2CC[C@@H]3CCC[C@H]4[C@@H](O)C(C(=O)O)=C(C2)[C@@]341 2356504605 XJERJSQMJZUBLS-WTGYBCGGSA-N 276.376 2.985 0 1 CFAF Cc1ccc(-c2cn([C@H]3CCCCC3=O)nn2)cc1 66058911 GYLRZQXVSISSMM-AWEZNQCLSA-N 255.321 2.938 0 1 CFAF c1ccc(CNc2cncc(OC[C@@H]3CCCN3)c2)cc1 64540143 JXZZSCMQQYPMOI-HNNXBMFYSA-N 283.375 2.825 0 1 CFAF COC(=O)[C@H]1[C@@H](c2ccc(SC)cc2)C[C@@H]2CC[C@H]1N2 45286513 YDNOASAJYGOBQG-MYPMTAMASA-N 291.416 2.806 0 1 CFAF O=c1cc(-c2ccccc2O)[nH]c2cc3c(cc12)OCO3 96913328 VFCFQQIYWTZGIF-UHFFFAOYSA-N 281.267 2.629 0 1 CFAF CCc1cc2ccc(NC(=O)c3cccnc3N)cc2[nH]1 618010177 RLRPTRMQHCSDOL-UHFFFAOYSA-N 280.331 2.960 0 1 CFAF Cc1ccc2nc(-c3cc(F)c(N)c(F)c3)[nH]c2n1 587134785 MZGHMGFNEHSIJN-UHFFFAOYSA-N 260.247 2.794 0 1 CFAF Cc1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2n1 586924719 UKUVNOZNSKRYRX-KTKRTIGZSA-N 299.355 2.711 0 1 CFAF COc1cc2nc([C@H]3CC[C@@H](O)CC3)[nH]c2cc1C 586899604 QMFUEZXXBMEQOQ-PHIMTYICSA-N 260.337 2.898 0 1 CFAF Cc1nccc2[nH]c(-c3cc(F)c(F)c(N)c3F)nc12 587136120 CJXICBHDAGLWDF-UHFFFAOYSA-N 278.237 2.933 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](c1ncc[nH]1)CC2=O 587484377 ODYBLMXPJRTZQV-ZDUSSCGKSA-N 272.304 2.774 0 1 CFAF C[C@]1([C@@H]2CO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616878 NHWKUGNXAHCQPF-GRDNDAEWSA-N 298.294 2.511 0 1 CFAF CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)CN1CCCC1)C2 1857774268 IGKCVYYWIMKBTD-WOSRLPQWSA-N 265.397 2.840 0 1 CFAF CC(=O)N1[C@@H]2C=C[C@@H](C2)C1(C(F)(F)F)C(F)(F)F 140039 SIERWPPSKUBEJN-NKWVEPMBSA-N 273.176 2.657 0 1 CFAF Cc1nc2c(c(=O)[nH]1)-c1cc(Br)ccc1CC2 13832468 ANTGTJFDKIMDSI-UHFFFAOYSA-N 291.148 2.606 0 1 CFAF CC(=O)[C@H](C)[C@H](O)[C@@H](C)c1ccc(C)c(C=CCO)c1 2356441884 HNLMCZDKGJJNMG-DCGLDWPTSA-N 276.376 2.690 0 1 CFAF OCCN(Cc1ccccc1)C[C@@H]1C[C@@H]2C=C[C@@H]1C2 104323759 UAWASGQNJPTGKV-ZACQAIPSSA-N 257.377 2.693 0 1 CFAF COC(=O)C1=C(c2ccc(Cl)nc2)C[C@H]2CC[C@H]1N2C 100025363 BNVFUBQIRRIJTF-ZYHUDNBSSA-N 292.766 2.528 0 1 CFAF F[C@@H]1CN(C2CCC2)C[C@H]1OCc1nc2ccccc2o1 2356321338 HQFNYOPOGFGFBQ-IUODEOHRSA-N 290.338 2.919 0 1 CFAF CCN(CC)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3 118734520 YFXUOXSTKUDUNY-UHFFFAOYSA-N 285.391 2.728 0 1 CFAF O=C(OCCc1ccccc1)c1cccc(S)n1 28969154 VDMYYWJHHLSXLK-UHFFFAOYSA-N 259.330 2.770 0 1 CFAF C[C@H]1CCC[C@@H](C)[C@H](O)C=C[C@@](C)(O)CCC(=O)O[C@H]1C 2356727453 OKJSCVKMKIRSLR-LVNYTYFRSA-N 298.423 2.823 0 1 CFAF CC[C@H](O)C[C@@H]1CC=C[C@@H](C[C@@H](CC)OC)N1C 2356756517 KHRQOARMKNDSNW-ZQDZILKHSA-N 255.402 2.591 0 1 CFAF CN(Cc1ccccc1)c1cncc(OC[C@@H]2CCCN2)c1 64548804 GMPGDCAGZUKYIK-INIZCTEOSA-N 297.402 2.849 0 1 CFAF NC(=O)c1ccc2[nH]cc(-c3cccc(O)c3)c2c1 73168105 XBGHGUGFJFWTAY-UHFFFAOYSA-N 252.273 2.639 0 1 CFAF CC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3 34220447 POIANFSUDFGZHE-GYDAVGPASA-N 280.364 2.853 0 1 CFAF CC(=O)c1cccc(-c2cc(NC[C@H]3CCCO3)ncn2)c1 82162056 MDAYKVYGVQVEDP-OAHLLOKOSA-N 297.358 2.937 0 1 CFAF CCCc1nc(NC)n2ncc(Cc3ccccc3)c2n1 40863034 SDJOKLRTZYGZAT-UHFFFAOYSA-N 281.363 2.709 0 1 CFAF Oc1ccccc1-c1nnc(Cn2cnc3ccccc32)o1 45314684 MLFTYUAEHMZKJX-UHFFFAOYSA-N 292.298 2.840 0 1 CFAF COC(=O)c1cccc(-c2nc3c(C=O)c(O)ccc3[nH]2)c1 199613526 BIUQCJSEUFUHCC-UHFFFAOYSA-N 296.282 2.535 0 1 CFAF C[C@@H](F)[C@@H](N)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587123954 LPMBEAJBJFPHPK-KQONEMSQSA-N 263.650 2.852 0 1 CFAF COc1cc2nc([C@H](N)c3ccsc3)[nH]c2cc1F 587025754 QDXNSRLMPWGJAB-GFCCVEGCSA-N 277.324 2.820 0 1 CFAF CCOC(=O)Cc1nc2cc(C)cc(Br)c2[nH]1 587777324 CXLDDEMXZMDXSF-UHFFFAOYSA-N 297.152 2.739 0 1 CFAF COc1cccc2nc(C[C@@H]3CCC(=O)[C@@H]3C)[nH]c12 587963009 LDGCOUKXRKEASR-ZJUUUORDSA-N 258.321 2.729 0 1 CFAF Cc1ccnc2[nH]c(Cc3cc(N)ccc3F)nc12 587141951 GAIIROAURQGRAG-UHFFFAOYSA-N 256.284 2.578 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(C)c(C)nc1C)O2 587394640 XMFZUMKTAVVEEA-HNNXBMFYSA-N 297.358 2.999 0 1 CFAF CC1(C)OC(=O)C[C@@H]1c1nc2cc(F)c(F)cc2[nH]1 586906963 GGLDWSDZQKDMOL-ZCFIWIBFSA-N 266.247 2.650 0 1 CFAF Cc1ncsc1CCc1nc2cccc(O)c2[nH]1 587028012 MGLAPNVHUSHCHX-UHFFFAOYSA-N 259.334 2.819 0 1 CFAF Clc1ccc2ccn(Cc3nc4ncc[nH]c-4n3)c2c1 587080938 VNGOIYWOIIBEDK-UHFFFAOYSA-N 283.722 2.961 0 1 CFAF COc1c(F)ccc(F)c1-c1nc2cnccc2[nH]1 587132912 LISULIONVLAEQQ-UHFFFAOYSA-N 261.231 2.912 0 1 CFAF Cc1nc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)co1 587874708 ITGYVUPZOVAAPK-UHFFFAOYSA-N 285.234 2.780 0 1 CFAF COc1cc2nc(C(C)(C)CSC)[nH]c2cn1 586969804 YPPCJNDQESSYOU-UHFFFAOYSA-N 251.355 2.607 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccco1)[C@@H](C2)C3=O 587456684 XLPWVVHIJZNLJQ-BONVTDFDSA-N 256.257 2.777 0 1 CFAF Oc1cccc(CCc2nc3cccc(O)c3[nH]2)c1 586896289 OKNJOPJJGBEZPA-UHFFFAOYSA-N 254.289 2.759 0 1 CFAF COCOCC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587525057 PIBXWAFUJRVSMT-CYBMUJFWSA-N 290.359 2.910 0 1 CFAF Fc1c(F)c(F)c2[nH]c(C3=COCC3)nc2c1F 586911923 AXQWYPPXLCSLFA-UHFFFAOYSA-N 258.174 2.881 0 1 CFAF COc1cccc(Cc2coc3cc(O)cc(O)c3c2=O)c1 1772583326 GLTWVIBYSRZJCO-UHFFFAOYSA-N 298.294 2.804 0 1 CFAF CCCC[C@H](C)NC(=O)OCCCc1c[nH]cn1 13793895 BOAJEIFQZOFOCK-NSHDSACASA-N 253.346 2.647 0 1 CFAF O=C(O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2OCC[C@@H]12 15952391 IDLFKXPQOUGXNN-WHGOUJPWSA-N 287.237 2.662 0 3 CFAF O=C1N=C2c3ccccc3C(=O)[C@@H]2[C@@H](c2ccccc2)N1 169687876 HMIKVFWMLSWMFQ-ZIAGYGMSSA-N 276.295 2.753 0 1 CFAF N#CN1CC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1 27297 CCMLFCPHJPWXFB-KRWDZBQOSA-N 291.354 2.639 0 1 CFAF Nc1nc(N)c2c(OCc3cccc(F)c3)cccc2n1 28971267 WLJNTVFRSAFAML-UHFFFAOYSA-N 284.294 2.512 0 1 CFAF CNCCC(=O)N1c2ccccc2NC(=O)c2ccccc21 26747240 YATOVSYNOXPBIP-UHFFFAOYSA-N 295.342 2.527 0 1 CFAF CCC1(CC)OC(N[C@@H](C)c2ccc(OC)cc2)=NC1=O 28824018 ITYYZPOBAGTQCU-NSHDSACASA-N 290.363 2.817 0 1 CFAF CC[C@@H](C)[C@@H]1NC(=O)C(SCc2ccco2)=C1O 100603443 OHCQTMOEANZHHJ-SCZZXKLOSA-N 267.350 2.827 0 1 CFAF C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc4c(c3)CCC4)C(=O)[C@H]12 100303057 BJEGRBFBZDGDMR-HFBAOOFYSA-N 281.355 2.877 0 1 CFAF COc1cc(-c2nc3cccc(C)n3n2)cc(OC)c1OC 26478249 UWETYWJMZLJSQT-UHFFFAOYSA-N 299.330 2.731 0 1 CFAF CC(=O)O[C@@H]1C=C(C)C[C@H](O)[C@@H](O)C(C)=CC[C@H]1C(C)C 2356584530 GWHDNXVDPMZMEC-NXOAAHMSSA-N 296.407 2.599 0 1 CFAF O=C1[C@H]2CCCC[C@@H]2C(=O)N1Nc1cccc(Cl)c1 40834655 USRZXSLHTUVBHK-RYUDHWBXSA-N 278.739 2.842 0 1 CFAF CCOC(=O)NC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C 144154508 AOTWCRSILVRYCS-GRYCIOLGSA-N 255.358 2.968 0 1 CFAF in-vitro COc1cc(CN2CCCCC2)ccc1OC(=O)N(C)C 299829824 MNGINUIDSUYTMZ-UHFFFAOYSA-N 292.379 2.742 0 1 CFAF CC(=O)[C@@H]1[C@H](c2ccccc2)[C@@H]2C(C)=NN=C2C[C@]1(C)O 299887832 ZNLUTICYKJBZGH-VQHPVUNQSA-N 284.359 2.577 0 1 CFAF O=c1cc(Cc2ccncc2)oc2cc(F)ccc12 653711343 BAYJSUFIUXAGBB-UHFFFAOYSA-N 255.248 2.918 0 1 CFAF C[C@@H]1O[C@H]1c1nc2ccc(F)c(Br)c2[nH]1 586917540 RQUDDOBQBAZHCU-AJAUBTJJSA-N 271.089 2.924 0 1 CFAF Cc1occc1C(=O)n1ncc2ccc(Cl)cc2c1=O 587652543 UPGCMXMSMGWEIE-UHFFFAOYSA-N 288.690 2.640 0 1 CFAF CC[C@H]1C[C@@]2(CCO1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587456756 XXXDZYURUOPNQJ-XTQGRXLLSA-N 288.343 2.770 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1C(=O)O)O2 587407838 LLLPCMNNABXXLK-HNNXBMFYSA-N 297.310 2.982 0 1 CFAF Cc1ncsc1CCc1nc2cncc(C)c2[nH]1 587027290 AJVLKPWXONPZKT-UHFFFAOYSA-N 258.350 2.816 0 1 CFAF N[C@@H]1CC[C@H](c2nc3cc(Cl)cc(F)c3[nH]2)C1 587247631 VIQPYZJSIZADHM-POYBYMJQSA-N 253.708 2.950 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](c1cc[nH]c(=N)c1)CC2=O 587472696 KWRLDIRMDFUDJR-HNNXBMFYSA-N 298.342 2.859 0 1 CFAF C=Cn1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 587433408 XMBNGXNBEAWZFB-SJKOYZFVSA-N 296.326 2.789 0 1 CFAF O=C(Cn1cncn1)c1ccc(Cc2ccccc2)cc1 148404274 ALPDPWXPKWUMDD-UHFFFAOYSA-N 277.327 2.752 0 1 CFAF Cc1ccc2c(=O)cc(Cc3cccs3)[nH]c2n1 5544559 JBTRCYLMXADDNX-UHFFFAOYSA-N 256.330 2.884 0 1 CFAF Cc1ccc(-n2nnc(-c3cccnc3Cl)n2)cc1 13545544 RCEMVBIZOPRKNR-UHFFFAOYSA-N 271.711 2.686 0 3 CFAF CNc1ccccc1-c1nc2ccccc2n(C)c1=O 497587 OMIWXYUXARPHEI-UHFFFAOYSA-N 265.316 2.642 0 3 CFAF CC1=Nc2ncnn2[C@H](c2cccnc2)/C1=C(\O)OC(C)C 101632702 JSGFVBLYJCPZAZ-MNWMYKRDSA-N 299.334 2.563 0 1 CFAF aggregator COc1ccc(-c2ccccn2)c2c1NC(=O)CC2 26485126 XGVNMRZXYLDFIT-UHFFFAOYSA-N 254.289 2.642 0 1 CFAF CCc1cnn2c(O)cc(-c3cccc4nccnc34)nc12 103525034 HQSRKVQNCXAWPB-UHFFFAOYSA-N 291.314 2.608 0 1 CFAF C=CC1=CN2C(=O)c3cc(OC)c(OC)cc3N=C[C@@H]2C1 28375120 XPTLDRHAPFTFSN-NSHDSACASA-N 284.315 2.704 0 1 CFAF Cc1cc(=O)n(C(=O)C(C)(C)Oc2ccc(Cl)cc2)o1 103289962 ZJTQCWZZSLAIPQ-UHFFFAOYSA-N 295.722 2.901 0 1 CFAF O=C(O)/C(O)=C/c1ccc(Cc2ccc(F)cc2)cn1 28649674 FNDAADJVCGRKPV-ZSOIEALJSA-N 273.263 2.795 0 1 CFAF COc1ccccc1/C(C)=C\c1coc2nc(N)nc(N)c12 38247831 JXICVPBZQSPDOK-CLFYSBASSA-N 296.330 2.956 0 1 CFAF in-vitro NC(=O)c1ccsc1NC(=O)Cc1cccc(Cl)c1 71317658 QPOVGDMSPAMLNF-UHFFFAOYSA-N 294.763 2.682 0 1 CFAF CC1(C)O[C@@]2(C3CCCC3)CC[C@@H]1[C@](N)(CCO)C2 85543337 OESCHGIKLKFRTF-BPUTZDHNSA-N 267.413 2.604 0 1 CFAF biogenic,in-vitro CC[C@H]([C@@H]1C=C(C)C(=O)O1)[C@H]1CCCCN2C(=O)CC[C@@H]12 196178985 UCPFAONBHXOZTR-XGUBFFRZSA-N 291.391 2.675 0 1 CFAF CC1(C)Cc2n[nH]c(=O)c3cccc4[nH]c(c2c43)C1 146683332 HHHFTURDICHXNW-UHFFFAOYSA-N 253.305 2.529 0 1 CFAF CC[C@H](C)[C@H]1CCCc2cc3c(O)nc(O)nc3nc21 587562425 ZZDKDHOCBLOBJW-WCBMZHEXSA-N 273.336 2.902 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(Cl)nc1)O2 587380530 VVGVAWGOIDEQOH-GFCCVEGCSA-N 289.722 2.727 0 1 CFAF C=CN1CC[C@@H](c2cc3c4c(cccc4n2)CC3)C1=O 587213394 WAHHYALGPIMVLP-ZDUSSCGKSA-N 264.328 2.793 0 1 CFAF CCc1ccc(C(=O)CCc2nc3cncnc3[nH]2)cc1 587957145 QWKSZMHZNLTJIV-UHFFFAOYSA-N 280.331 2.731 0 1 CFAF COC(=O)Nc1ccc(-c2nc3ncccc3[nH]2)cc1 587243240 HNUIKDGRQMPROW-UHFFFAOYSA-N 268.276 2.803 0 1 CFAF COc1ccc2nc(-c3cnc([C@H](C)O)s3)[nH]c2c1 587022708 VOJDNZWPNLBIEG-ZETCQYMHSA-N 275.333 2.748 0 1 CFAF Cc1cc(C)c2c(c1)-c1nc3nc(O)nc(O)c3cc1CC2 587561744 KLQDPCOPRWHGMH-UHFFFAOYSA-N 293.326 2.818 0 1 CFAF Cc1ccc2nc([C@@H]3CC(=O)OC3(C)C)[nH]c2c1C 586909738 LUGJVOZQFVRCBK-JTQLQIEISA-N 258.321 2.989 0 1 CFAF COc1ccc(Cn2ccc(=O)cc2C(F)(F)F)cc1 957615187 DZYHCUWFDIOVIC-UHFFFAOYSA-N 283.249 2.924 0 1 CFAF C[C@H](Oc1ccc(Cl)cc1Cl)c1nnn[nH]1 95134718 XZYQVYXSBYLINV-YFKPBYRVSA-N 259.096 2.647 0 1 CFAF CC1=CC[C@H](O)[C@@H](C)C[C@H]2OC(=O)[C@@H](C)[C@H]2CC1 1857592294 LAOQYXNUSDEVJK-PDWCTOEPSA-N 252.354 2.681 0 1 CFAF Cc1cc(O)c2c(c1)Cc1c(Cl)c(O)cc(O)c1C2=O 1772571791 FFKREEKMKSSXKM-UHFFFAOYSA-N 290.702 2.900 0 1 CFAF C[C@H](c1cc2cc(F)ccc2s1)N(O)C(N)=O 13762731 GQBYORHBDRICMD-ZCFIWIBFSA-N 254.286 2.871 0 1 CFAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccsc1 169371934 SLCCHPKEJRCPRS-QJDMUADASA-N 289.400 2.787 0 1 CFAF Cc1cccc(-c2noc(C[C@@H]3CN4CCC3CC4)n2)c1 1857538887 TWRPCWHFFRWZFX-OAHLLOKOSA-N 283.375 2.929 0 1 CFAF Oc1cc(F)c(-c2nc(O)c3ccccc3n2)cc1F 1857584732 TWCSSQUYTRYNPB-UHFFFAOYSA-N 274.226 2.986 0 1 CFAF CCN1C(=O)c2cccnc2N(C)c2ccccc21 13195 ZPTZQHRWXFSZOJ-UHFFFAOYSA-N 253.305 2.830 0 1 CFAF CN(C)CC[C@@H](c1ccc2cc(F)ccc2c1)n1ncnn1 58590896 IYTKIEQZFQYQAC-INIZCTEOSA-N 299.353 2.507 0 1 CFAF Oc1ccc2ncn(-c3cccc4c3CCC4)c2n1 118272541 KBMPDUWXSDPYCG-UHFFFAOYSA-N 251.289 2.615 0 1 CFAF CCOc1nc2ccccc2n2nc(-c3ccco3)nc12 29124041 HYYBJWPPFMULNP-UHFFFAOYSA-N 280.287 2.936 0 1 CFAF Cc1ccccc1-c1cc2nc(-c3ccco3)nn2c(N)n1 28111893 FZNYORQFRWRGKS-UHFFFAOYSA-N 291.314 2.942 0 1 CFAF Cc1coc2c1[C@@H]1OC(=O)[C@@H]3CCC[C@@H](C2=O)[C@]31C 2356498623 DKIQWJSYQVPEGA-FBPQKSLZSA-N 260.289 2.805 0 1 CFAF CCOC(=O)c1c(C)nc2c(cnn2C[C@@H](C)CC)c1N 26575275 FGXGGSTTXFKIAP-VIFPVBQESA-N 290.367 2.545 0 1 CFAF CC(=O)O[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1 85964 STKVKMWPEKULAN-SJORKVTESA-N 282.295 2.935 0 1 CFAF biogenic Cc1cccc(-c2nc(CNc3cc[nH]n3)co2)c1 72103637 LDOWVGVNYHHLJP-UHFFFAOYSA-N 254.293 2.985 0 1 CFAF CCCCS(=O)(=O)N1CCCc2nc(C)c(C)cc21 199724859 TYACCDPXMOPQFD-UHFFFAOYSA-N 282.409 2.581 0 3 CFAF COc1ccccc1-c1ccc(-n2cc(C(=O)O)cn2)nc1 40812639 VKDNKHNQPMHRTL-UHFFFAOYSA-N 295.298 2.641 0 1 CFAF O=c1c(-c2cccnc2)c[nH]n1-c1nc2ccccc2s1 96172349 BNPUVQXAERZJQN-UHFFFAOYSA-N 294.339 2.837 0 1 CFAF CCOP(=O)(CCC(=O)Nc1ccccn1)OCC 96907993 AKUBGHKIDCHSKB-UHFFFAOYSA-N 286.268 2.676 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2ccc(C)c(F)c2)C[C@H]2CC[C@H]1N2C 253640543 ZIXPADCAHDMWPA-RRCSTGOVSA-N 291.366 2.873 0 1 CFAF O=C(/C=C/c1ccoc1)N1CCCC[C@H]1CN1CCCC1 621431448 IHPRYOZIYPVKND-MOEXGYKKSA-N 288.391 2.770 0 1 CFAF CC[C@@H]1C[C@@H](C)Cc2cc3c(O)nc(O)nc3nc21 587561249 GKMOIGXANIXENP-HTQZYQBOSA-N 259.309 2.512 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ncc(C)nc1C)O2 587392972 ABMIIYNMRMHVQN-KRWDZBQOSA-N 297.358 2.865 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1c(C)n[nH]c1C)[C@@H](C2)C3=O 587442874 ZKVAQYNMVRZOJW-YVEFUNNKSA-N 298.342 2.698 0 1 CFAF CC[C@]1(C)C[C@H]1c1nc2c(S)nc(S)nc2[nH]1 586887194 FJWVECKYSVDQFN-ULHQUTTKSA-N 266.395 2.834 0 1 CFAF CSc1ccc2nc([C@H](N)Cc3cscn3)[nH]c2c1 587029591 QUJAFTMDKLEZBL-SNVBAGLBSA-N 290.417 2.984 0 1 CFAF COC(=O)c1cc2nc(COc3ccc(C)cc3)[nH]c2cn1 587565921 XDHCGUBKDAKKMX-UHFFFAOYSA-N 297.314 2.632 0 1 CFAF CCOC(=O)[C@@H]1[C@H]2Cc3c(nc4cccc5c4c3CC5)[C@@H]21 587215048 ZMYSBQAIDOROSE-VBNZEHGJSA-N 279.339 2.782 0 1 CFAF COc1ccc2[nH]c(-c3cccnc3N(C)C)nc2c1 587195864 LWTXRPJCGBSMGV-UHFFFAOYSA-N 268.320 2.700 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H]3CC[C@H]1CC3=O)O2 587408590 QFYIOKYKOUXVLB-PSVSLLHZSA-N 285.343 2.670 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)on1)O2 587395907 VXVLFTBYESLPJQ-CYBMUJFWSA-N 258.277 2.580 0 1 CFAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1O 587397808 BKLPOVZGQLJUDB-HNNXBMFYSA-N 299.326 2.998 0 1 CFAF CCN(C)C[C@@H]1CCc2c(n(C)c3ccccc23)C1=O 59282371 VXEJZPBNBFRQMV-LBPRGKRZSA-N 270.376 2.875 0 1 CFAF O=c1oc2cc(O)ccc2cc1-c1cc2c(cc1O)OCO2 14511184 XAIBLYCUSHEJPN-UHFFFAOYSA-N 298.250 2.600 0 1 CFAF COc1c(O)cc(O)c2c1O[C@H](c1ccccc1)CC2=O 14807112 FKAOWOSRYSMEBS-ZDUSSCGKSA-N 286.283 2.813 0 1 CFAF endogenous,in-man CCN(CC)c1nccc(Nc2ccccc2C(=O)O)n1 14960266 HVTNXRFKNMNZNQ-UHFFFAOYSA-N 286.335 2.765 0 1 CFAF CO[C@@H]1/C=C/C(=O)O[C@@H](C)CCC/C=C/[C@@H]2C[C@H](O)C[C@H]21 169356674 XUHVOYMFCDAZJW-OBCVZTHZSA-N 294.391 2.617 0 1 CFAF CCCn1ccc(=O)n2nc(-c3ccccc3)cc12 29404967 ICVHUEMJBGMZMO-UHFFFAOYSA-N 253.305 2.573 0 1 CFAF CC(C)OC(=O)c1cccc(C(=O)OCc2ccco2)n1 190487 NKTZWIKKDIXVKM-UHFFFAOYSA-N 289.287 2.597 0 3 CFAF COc1ccc(C2=COc3cc(O)cc(O)c3[C@H]2O)cc1 901449 KYMFSIXLIKXHRD-INIZCTEOSA-N 286.283 2.573 0 1 CFAF in-vitro C[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 6932580 GLZDTDXBBMOGIV-GFCCVEGCSA-N 285.395 2.789 0 1 CFAF COC(=O)C1=C(c2nc3ccccc3o2)C[C@H]2CC[C@H]1O2 101501261 JHGBEMIRZAHFKB-NOZJJQNGSA-N 285.299 2.706 0 1 CFAF CS(=O)(=O)Oc1cccc(Sc2ccccc2)n1 103185226 KSCLKTSAYZNZER-UHFFFAOYSA-N 281.358 2.571 0 1 CFAF COc1ccccc1C=CC[C@]1(O)CCC(=O)C[C@@H]1OC 2356615310 DIAHBGYCNSEZBL-IRXDYDNUSA-N 290.359 2.598 0 1 CFAF CCCC=CC=CC=C(C)[C@@H]1OC[C@H](C)[C@H](O)[C@H]1O 2356624901 SSDFRIQMXWLXBU-JONQDZQNSA-N 266.381 2.602 0 1 CFAF COC(=O)C/C=C1\c2ccc3c(c2[C@@H](OC)[C@H]1C)OCO3 66166347 ZQDNTSRZBRBSHA-VKZUEEILSA-N 290.315 2.699 0 1 CFAF CC/C=C1\C[C@H]2CNc3c(OC)cccc3C(=O)N2C1 73196140 VRTIPIUNHQTBEU-JVOXIWMLSA-N 272.348 2.672 0 1 CFAF CCCCN1CC[C@@]2(C1)O[C@@H](OC)Cc1ccccc12 84730029 WXYGKEYRLBEHNW-SJORKVTESA-N 275.392 2.933 0 1 CFAF COc1ccc(C2=[N+]([O-])c3ccc(OC)cc3C2=O)cc1 45289185 XIBSBTHKHLOTJH-UHFFFAOYSA-N 283.283 2.531 0 1 CFAF CC(=O)O[C@@H]1[C@H]2[C@H](C(C)C)CC[C@@H](C)[C@]2(O)CC[C@@]1(C)O 238762539 FNTLZZCGECJXCR-MYXGDXFVSA-N 298.423 2.512 0 1 CFAF CN1[C@H]2CC[C@H]1[C@H](c1ccc(Br)nc1)C2 299804580 GXJFGFJKAUWQKD-DCAQKATOSA-N 267.170 2.794 0 1 CFAF CNC(=O)[C@@H]1C[C@@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1 587236372 VMIORRWUPOYMSW-NKWVEPMBSA-N 284.146 2.719 0 1 CFAF CC(=O)c1ccc2nc(CC[C@@H](C)CC(=O)O)[nH]c2c1 587963443 WLRUHJHAXJNWLG-SECBINFHSA-N 274.320 2.809 0 1 CFAF Cc1ncsc1CCc1nc2cc3c(cc2[nH]1)OCO3 587028374 UTPLRQFRLXDRTO-UHFFFAOYSA-N 287.344 2.842 0 1 CFAF COCC(=O)Cc1nc2cc(Cl)cc(Cl)c2[nH]1 587563179 OHEPWUPTWJSSOR-UHFFFAOYSA-N 273.119 2.628 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1cccnc1)O2 587394601 IPATYNPPZAABSK-KRWDZBQOSA-N 282.343 2.939 0 1 CFAF Fc1ccc2c(c1)C[C@H](c1nc3cnc(Cl)[nH]c-3n1)O2 587174135 NCBKYSUQNHHALB-SNVBAGLBSA-N 290.685 2.773 0 1 CFAF CCC(=O)[C@@H](C(=O)OC)c1nc2cccc3c2c(c1C)CC3 587213292 GXBXMWCZQJOVOO-MRXNPFEDSA-N 297.354 2.878 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ncccc1C)[C@@H](C2)C3=O 587437420 ZYOIQERHFSGOIW-SJCJKPOMSA-N 281.311 2.887 0 1 CFAF COc1ccc([C@H](O)[C@@H](C)c2nc3cccnc3[nH]2)cc1 587935907 JUYSXNURBBKTBI-QMTHXVAHSA-N 283.331 2.804 0 1 CFAF O=C(O)c1cccc2c(=O)n(-c3ccccc3)sc12 1772642701 HYRHGYNRMPQPFL-UHFFFAOYSA-N 271.297 2.750 0 1 CFAF Cc1c(Cc2ccccc2)sc2nc(N)nc(N)c12 5891582 VQQXEPFQMVLAHH-UHFFFAOYSA-N 270.361 2.755 0 1 CFAF CC(C)C/C=C1\O[C@H]2C[C@@H](C)CC(=O)[C@H]2[C@@]1(C)O 169667689 MTIAEHKHZNDYNY-IOPYAUOLSA-N 252.354 2.681 0 1 CFAF Cc1cc(OC2CCC2)cc(C(=O)Nc2ccccn2)n1 1857593259 QBGHXFSDFNVRQY-UHFFFAOYSA-N 283.331 2.969 0 1 CFAF N[C@H](Cc1ccc(Cl)c(-c2cccc(O)c2)c1)C(=O)O 1857643974 DSEZNOSITRSTCW-CQSZACIVSA-N 291.734 2.667 0 1 CFAF O=C(O)c1c(Cl)c2cc(Cl)ccc2[nH]c1=O 4637983 USKMTYITSQBBRN-UHFFFAOYSA-N 258.060 2.533 0 1 CFAF COC(=O)[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1cccs1 100909209 ZLWKHMNSEAGVBX-CZAKROKDSA-N 289.400 2.787 0 1 CFAF CC(C)(C)c1coc([C@H]2COCCN2CC2CC2)n1 2356301635 CFOXSAFLQSJKOV-GFCCVEGCSA-N 264.369 2.755 0 1 CFAF COc1ccc([C@@](O)(c2cncnc2)C2CCC2)cc1 28767779 UDBMFAGIIIZBNN-MRXNPFEDSA-N 270.332 2.521 0 1 CFAF CN1C[C@@H]2C[C@H]1C[C@H](OC(=O)c1cc(F)cc(F)c1)C2 29224951 KNPHZKMIPVOZPG-BIGNPOOSSA-N 281.302 2.604 0 1 CFAF Cc1cc(NC(=O)NC(C)(C)C)nc(-c2ccncc2)n1 27978985 KBKPRCGGLSZMRZ-UHFFFAOYSA-N 285.351 2.767 0 1 CFAF O=C1NC(=O)[C@]2(CC[C@H](c3ccccc3)c3ccccc32)N1 26479851 RJEIWZCFOOHJNR-FZKQIMNGSA-N 292.338 2.647 0 1 CFAF c1ncn2c(NC34CC5CC(CC(C5)C3)C4)nncc12 29416985 LSACTQRAEHYLBE-UHFFFAOYSA-N 269.352 2.505 0 1 CFAF CC(C)NC(=O)N1OC[C@H]2CSc3ccc(F)cc3[C@H]21 62225391 ANXPKWUHAVEULP-ZANVPECISA-N 296.367 2.954 0 1 CFAF CC(=O)OCC1=C2C=C3[C@H](C)CCC[C@@]3(C)C[C@@H]2OC1=O 2356498611 CZLXFQZSUNNOPS-PHEKWQANSA-N 290.359 2.928 0 1 CFAF COC(=O)c1occ2c1C(C)=C1C[C@@](C)(CO)C[C@@H]1C2 2356585629 WUGZRDYLMJPRIL-QFYYESIMSA-N 276.332 2.804 0 1 CFAF COc1ccc2[nH]cc(CCNC(C)=O)c2c1Cl 136891221 PGJFVLNLKBAWSW-UHFFFAOYSA-N 266.728 2.509 0 1 CFAF Cn1nc(-c2ccc(O)cc2)nc1-c1ccc(O)cc1 40848451 MZXRTZFIXRPNME-UHFFFAOYSA-N 267.288 2.560 0 1 CFAF CCCN1CCCC[C@@H](NC(=O)c2ccccc2C)C1=O 199262637 KKQBCKXGMUVRCN-OAHLLOKOSA-N 288.391 2.516 0 3 CFAF COc1cc(O)cc(O)c1C[C@H]1COc2cc(O)ccc21 149499411 HZDDRSGCVZHQGM-VIFPVBQESA-N 288.299 2.531 0 1 CFAF COc1cc2c(cc1O)C(CO)=CCc1cc(O)ccc1-2 238786408 DAIKNYVESHYZPP-UHFFFAOYSA-N 284.311 2.705 0 1 CFAF c1nc(N[C@H]2CCOC2)c2cc(-c3cncs3)ccc2n1 299852634 VOXXOUBHHMGKFF-NSHDSACASA-N 298.371 2.954 0 1 CFAF CCCOCc1nc(O)c2c(C)nn(-c3ccccc3)c2n1 653816983 LPLPNEWLIAANFO-UHFFFAOYSA-N 298.346 2.756 0 1 CFAF CC[C@@H]1CC[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587447845 WCZXCJWNTZUHBP-OGTWGDGJSA-N 286.327 2.571 0 1 CFAF CS(=O)(=O)/C=C/c1nc2ccc(C(F)(F)F)cc2[nH]1 586926404 OZBISPYPSCNQAS-SNAWJCMRSA-N 290.266 2.597 0 1 CFAF C[C@@H](F)[C@@H](N)c1nc2c(Cl)cnc(Cl)c2[nH]1 587126794 YXIUQWRPQXXJEZ-NQXXGFSBSA-N 263.103 2.623 0 1 CFAF O=C1NC(=O)/C(=C\c2ccc3cc(F)ccc3n2)S1 1772597652 ZQYAGOHNQIZGJK-IZZDOVSWSA-N 274.276 2.698 0 1 CFAF CC(=O)OC[C@@H]1CN(c2ccc(C(C)C)cc2)C(=O)O1 11524421 ZIGZFDKEVMOHIL-AWEZNQCLSA-N 277.320 2.698 0 1 CFAF NCc1nc2cc(NCc3ccccc3)ccc2[nH]1 13445556 IRIJDQANDUYJIT-UHFFFAOYSA-N 252.321 2.634 0 1 CFAF COc1cccc2c1C[C@H](NC(=O)c1ccccc1)CC2 13833095 KLJIYXYXXSWFOJ-OAHLLOKOSA-N 281.355 2.983 0 1 CFAF CCOC(=O)c1c[nH]c2ncnc(-c3ccccc3F)c12 206726606 ICKDMNWCSKPSHN-UHFFFAOYSA-N 285.278 2.941 0 1 CFAF c1csc(-c2noc(C[C@H]3CN4CCC3CC4)n2)c1 1857615179 HWAUUNORMORAKE-NSHDSACASA-N 275.377 2.682 0 1 CFAF CC(=CCC[C@@]1(C)C2C[C@H]3[C@@H](C2)C31C(=O)O)C(=O)O 2356375974 MZGNQYVCSIVGIM-KWXZKXTFSA-N 264.321 2.544 0 1 CFAF Cc1nccc2[nH]c(=O)c(C(=O)N[C@@H]3CCCC[C@@H]3C)cc12 3061727 YPZXQFUWGAEUMU-IINYFYTJSA-N 299.374 2.540 0 3 CFAF COc1ccc([C@H]2CC(=O)c3c(O)cccc3O2)cc1O 6018552 RLUWMAPPHYMOQC-OAHLLOKOSA-N 286.283 2.813 0 1 CFAF Cc1cc(=O)[nH]c2c1cnn2[C@@H](C)c1ccccc1 6752737 QEARQDGPGVQTCA-NSHDSACASA-N 253.305 2.642 0 1 CFAF Cc1ccc2nc3c(O)n(Cc4ccccn4)cnc-3c2c1 101901049 IUEAVFMJJDCZHE-UHFFFAOYSA-N 290.326 2.993 0 1 CFAF COC(=O)/C(=C\C=C\c1cc2ccccc2[nH]1)OC 29341151 AUGIGZGPNISFRF-WYMAPRSLSA-N 257.289 2.884 0 1 CFAF COc1cccc2c1CC[C@@]21NCc2ccccc21 27655882 VEJKHHFETZHWCA-KRWDZBQOSA-N 251.329 2.988 0 1 CFAF COc1cccc([C@H]2C3=C(O)CCCC3=Nc3ncnn32)c1 103543089 ZJYRHLYWBDOTGT-HNNXBMFYSA-N 296.330 2.958 0 1 CFAF Cc1nc(CCN2CC[C@](O)(c3ccccc3)C2)cs1 20166484 LDXQVCYLTNFJOK-MRXNPFEDSA-N 288.416 2.588 0 1 CFAF C[C@@H]1CC[C@@H]2[C@](C)(C(=O)O)C[C@]3(C)CC[C@H]1[C@@]23O 2356575271 HJIXPIWBGQEXMJ-VUYDPOJMSA-N 252.354 2.675 0 1 CFAF COc1cccc(Cc2nc3cc4c(cc3[nH]2)OCCO4)c1 314121130 PFUBSBGQDORVJW-UHFFFAOYSA-N 296.326 2.934 0 1 CFAF NC(=S)N1N=C2CCCC[C@H]2[C@H]1c1cccs1 139900171 OFPYMRKXNCKFBA-KCJUWKMLSA-N 265.407 2.895 0 1 CFAF FC(F)(F)c1ccccc1-c1nnc2ncccn12 82060575 IBFJTRQROUAJTN-UHFFFAOYSA-N 264.210 2.810 0 1 CFAF c1ccc(CN[C@@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@H]25)cc1 261193000 ZWCQZHOWEDKJBN-VMVGGSQPSA-N 251.373 2.923 0 1 CFAF C[C@@H](O)c1ncc(-c2nc3cncc(Cl)c3[nH]2)s1 587020680 ARSJBKFLIIOTSC-RXMQYKEDSA-N 280.740 2.788 0 1 CFAF Cc1ccc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2n1 586907695 IUSYVYLWHJGHLH-UHFFFAOYSA-N 279.299 2.905 0 1 CFAF Cc1[nH]c2c(C(=O)O)cccc2c1-n1nnc2ccccc21 587638237 DPMVXDLSVNKJRL-UHFFFAOYSA-N 292.298 2.908 0 1 CFAF Oc1cccc2nc([C@@H]3COc4ccccc4O3)[nH]c12 586918828 RQSVFFOOLRWDDQ-ZDUSSCGKSA-N 268.272 2.781 0 1 CFAF OCc1ccc2nc([C@H](O)c3ccccc3Cl)[nH]c2c1 587059447 QJAGCFGRDGAQSH-CQSZACIVSA-N 288.734 2.790 0 1 CFAF C[C@@H](Oc1ccc(F)cc1)c1nc2c(N)ccnc2[nH]1 587168527 INEVREREYBYWCJ-MRVPVSSYSA-N 272.283 2.819 0 1 CFAF COC(=O)[C@H]1CCc2nc3cccc4c3c(c21)CC4 587212521 ASMAJHFUTPRRPB-NSHDSACASA-N 253.301 2.536 0 1 CFAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1cnccn1 963097034 FGRHIFCKVIGRQO-XJKSGUPXSA-N 269.323 2.726 0 1 CFAF Cc1ccc(OCCN[C@H]2CCCC[C@@H]2O)c(C)c1 1857656547 NSAONSWSBHRLPS-GJZGRUSLSA-N 263.381 2.575 0 1 CFAF COc1cccc(OC)c1C(=O)OCc1cccc(O)c1 14443736 PIWSYQREANNHKN-UHFFFAOYSA-N 288.299 2.766 0 1 CFAF biogenic c1ccc(Nc2cc3nc(-c4cnco4)[nH]c3cn2)nc1 1857762076 XKDJTINUPVBVIC-UHFFFAOYSA-N 278.275 2.752 0 1 CFAF C[S@@](=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1 35654114 NQMQQUHLUAZXBE-NRFANRHFSA-N 295.367 2.943 0 1 CFAF O=C(O)Cc1ccc2c(c1)Oc1ccccc1C[C@@H]2O 26013362 KXKBLMPSMSJSJQ-ZDUSSCGKSA-N 270.284 2.696 0 1 CFAF CCc1ccccc1-c1cc2cncnc2nc1N 27304449 PGRJLTIEEISGOT-UHFFFAOYSA-N 250.305 2.836 0 1 CFAF CC(C=CCCC(=O)N1CCCC1=O)=C[C@H]1CCCCO1 2356441272 MQFDZDSLEBWGRN-OAHLLOKOSA-N 291.391 2.987 0 1 CFAF COc1cccc([C@H]2NCC[C@@]3(O)CCCC[C@H]23)c1 4012341 LKOGBRXABVWQOD-OAGGEKHMSA-N 261.365 2.651 0 1 CFAF CCC[C@H](O)c1ccc(OC)c(O[C@H]2CCOC2)c1 66073688 YUQQHTDRBVFZGY-STQMWFEESA-N 266.337 2.696 0 1 CFAF C[C@H](Oc1cccc2nc(N)nc(N)c12)c1ccccc1 28971610 DXXZQWKKQKOALI-JTQLQIEISA-N 280.331 2.934 0 1 CFAF C[C@@H](c1ccc2cc(O)ccc2c1)P(=O)(O)O 26384228 PGJXQLVHMOZLBY-QMMMGPOBSA-N 252.206 2.784 0 1 CFAF COCC(=O)N1CC[C@@H]2C[C@H]1c1cc(Cl)ccc12 61942390 LEMBIGHNQMCFBL-RNCFNFMXSA-N 265.740 2.747 0 1 CFAF CC(=O)Nc1nc(C)c(-c2nc(C(C)(C)C)no2)s1 68267305 OMQWTFHLBGEYAP-UHFFFAOYSA-N 280.353 2.757 0 1 CFAF C[C@@]12CCNC(=O)[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 29417181 HSMQDJJGFZMMRG-LKCKMFOKSA-N 291.435 2.726 0 1 CFAF O=C(O)CC1(c2ccc(F)cc2)[C@@H]2CCC[C@H]1COC2 73140888 UEEXLIOOVWMWCE-OCZCAGDBSA-N 278.323 2.985 0 1 CFAF CC(C)c1ncc2c(=O)[nH]c3cc(Cl)ccc3n12 43196337 VJVYCJIULNTODR-UHFFFAOYSA-N 261.712 2.953 0 1 CFAF Cc1[nH]c2nc(N)nc(N)c2c1Sc1ccccc1 45390668 ZBAZFVFPFSAMRI-UHFFFAOYSA-N 271.349 2.582 0 1 CFAF C/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2C[C@H](O)/C(C)=C/CC1 238762757 IEWXWMUMAOWZMT-ALCUIIQASA-N 250.338 2.602 0 1 CFAF CC(C)CC(=O)C[C@@]1(C)CC[C@@H]([C@H](C)CCO)O1 238752981 NQUGBBCWSQRMST-VHDGCEQUSA-N 256.386 2.948 0 1 CFAF CN(C)c1ccccc1Cc1nnc(O)c2ccccc12 473117166 XURNQFHMJRQTNY-UHFFFAOYSA-N 279.343 2.992 0 1 CFAF CCCn1ccnc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432050 UAESBOJBJBWLBS-WBMJQRKESA-N 298.342 2.790 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cn1nccc1C)O2 587392411 TZJSNXZOOOWQHT-INIZCTEOSA-N 285.347 2.506 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)cn1)[C@@H](C2)C3=O 587426769 FQCQOVITQWLYNR-MEDUHNTESA-N 285.274 2.718 0 1 CFAF Cc1ccc(-c2nc(-c3nc4ncc[nH]c-4n3)cs2)o1 587016030 DZKJWENXKVCOBF-UHFFFAOYSA-N 283.316 2.996 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)[C@@H]1CCCC[C@@H]1CC3 587562329 WTMZTQRJJIBLJZ-PSASIEDQSA-N 271.320 2.656 0 1 CFAF CC(=O)c1ccc2nc(-c3cnc(N(C)C)nc3C)[nH]c2c1 587194713 LWPGOEGPGZDVFW-UHFFFAOYSA-N 295.346 2.597 0 1 CFAF COc1ccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2n1 587090228 NTYJTAUUSQGLPN-QMMMGPOBSA-N 283.612 2.890 0 1 CFAF OCc1ccc(-c2nc3nccc(Cl)c3[nH]2)cc1 586895522 LCWFWZHIARXYFF-UHFFFAOYSA-N 259.696 2.771 0 1 CFAF CC(=O)c1ccc2[nH]c(-c3cccnc3N(C)C)nc2c1 587195592 JOFPVWJWSZLFOW-UHFFFAOYSA-N 280.331 2.894 0 1 CFAF COc1cc(C)ccc1OCc1nc2cccnc2[nH]1 587563888 BJCCOISAZKOTJT-UHFFFAOYSA-N 269.304 2.854 0 1 CFAF C[C@H](CCc1nc2ccc(F)c(F)c2[nH]1)CC(=O)O 587962899 KPHDIKYRDMYUNC-SSDOTTSWSA-N 268.263 2.885 0 1 CFAF O=C(O)/C=C/C=C/c1nc2nc(Cl)c(Cl)cc2[nH]1 587967264 GARQHJAKBNNRPE-ZPUQHVIOSA-N 284.102 2.919 0 1 CFAF c1ncc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2n1 586892073 TWDJTXZJPJAYNW-USXUVBGUSA-N 254.337 2.821 0 1 CFAF CCCN1[C@H](C)Cc2ccccc2[C@@]12CC(=O)N[C@@H](C)C2 963231439 RAJHFEAUTZITEW-PMUMKWKESA-N 286.419 2.837 0 1 CFAF CCCCC[C@@](O)(Cn1cncn1)c1cccc(F)c1 1857768718 NXXXGNATEUJKBD-OAHLLOKOSA-N 277.343 2.885 0 1 CFAF CC(C)CN1CC[C@H]2c3c(cccc3C(N)=O)CC[C@H]21 13740523 MHDYVLNVEGHSGG-UKRRQHHQSA-N 272.392 2.546 0 1 CFAF CC(C)(O)c1[nH]c2cc(F)ccc2c1C(C)(C)O 15933821 PPNPNUKMPQCJOG-UHFFFAOYSA-N 251.301 2.762 0 3 CFAF Cc1ccc2c(=O)n(-c3cccc(Cl)c3)c(=O)[nH]c2c1 3893816 VAIUISGWHFVRBF-UHFFFAOYSA-N 286.718 2.641 0 1 CFAF Clc1ccc(Cn2cccc2C2=NCCO2)cc1 4110587 OBFONFHRZYDOGE-UHFFFAOYSA-N 260.724 2.967 0 3 CFAF COC(=O)C1=C[C@@H]2C(=C(C)CC[C@@H]2[C@@H](C)CO)CC1 2356404828 XRCMEOXEWNTAPL-NILFDRSVSA-N 264.365 2.851 0 1 CFAF CCC[C@@H]1Cc2c3c(c(C)c(C)c2C1=O)O[C@@H](C(=O)O)C3 28001049 YFPVFXGNKSWLKA-ZWNOBZJWSA-N 288.343 2.847 0 1 CFAF CNC(=S)N1N=C(c2ccco2)C[C@H]1c1ccco1 28707054 SPYJCABEVGEHKF-JTQLQIEISA-N 275.333 2.528 0 1 CFAF Cc1ccc2c(=O)n(C)c3c(c2c1)[C@H](O)c1ccccc1-3 29129164 KDUPQDGOYZQKMK-QGZVFWFLSA-N 277.323 2.909 0 1 CFAF C[C@H]1CCC[C@@H](O)CCCc2cc(O)cc(O)c2C(=O)O1 2356623902 NXDFAIFYSGMTLP-CMPLNLGQSA-N 294.347 2.511 0 1 CFAF COc1ccc(O)c(-c2cc(-c3ccco3)nc(N)n2)c1 73276577 VCGNKKXHMIMECD-UHFFFAOYSA-N 283.287 2.700 0 1 CFAF CC[C@H]1[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@H]2CCN3CCCC[C@H]1[C@H]23 210762855 ROIHYOJMCBKEER-JUSDVALNSA-N 277.408 2.695 0 1 CFAF CC(C)C[C@@]1(C)C(=O)N=C(N)N1Cc1cccc(Cl)c1 45259600 DISHKUFACYEJAW-HNNXBMFYSA-N 293.798 2.802 0 1 CFAF Cc1csc2c1NC(=S)N(CCCn1ccnc1)C2 45253461 PHEYUECIVOQIOV-UHFFFAOYSA-N 292.433 2.856 0 1 CFAF O=C1CS[C@H](c2ccccc2)N1c1nnc(S)s1 1911579764 NKZWYVONRKWUIC-SECBINFHSA-N 295.414 2.605 0 1 CFAF CC1=C[C@H]2[C@@H](CC1)C(C(=O)O)=C[C@@H](O)[C@@H]2C(C)C 49067030 ZLYNIGWZDMTJTK-ZMJPVWNMSA-N 250.338 2.617 0 1 CFAF CNc1c(F)cccc1-c1nc2ccnc(O)c2[nH]1 587135845 PTZRONAGBAHWRS-UHFFFAOYSA-N 258.256 2.511 0 1 CFAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)nc1 587393623 JQBIFLFAHBQNAE-OAHLLOKOSA-N 284.315 2.687 0 1 CFAF CC(C)[C@](C)(O)c1nc2cc(C(F)(F)F)ncc2[nH]1 586886303 FOGLTUMZJWBNTM-NSHDSACASA-N 273.258 2.840 0 1 CFAF COc1cc(OC)c2nc(-c3ccc(CO)cc3)[nH]c2c1 586895478 IXMOWWOOEGFOBP-UHFFFAOYSA-N 284.315 2.739 0 1 CFAF CC/C=C/CCCc1cnc2nc(O)nc(O)c2c1 587562204 RTWMIGVYPJTYFQ-ONEGZZNKSA-N 259.309 2.725 0 1 CFAF COc1ccc2nc(C(C)(C)SCC(=O)O)[nH]c2c1 586960494 WRFCXIARBLJPBX-UHFFFAOYSA-N 280.349 2.624 0 1 CFAF CCc1cc(C(=O)c2coc3ccccc23)nn1C 587280349 BOODHKAXBLGMAV-UHFFFAOYSA-N 254.289 2.960 0 1 CFAF Cc1cc2[nH]c([C@@H](N)c3ccc(F)cc3F)nc2c(C)n1 587149612 HXPQYZFVTJWUQC-ZDUSSCGKSA-N 288.301 2.901 0 1 CFAF C[C@H](CCc1nc2cc(F)c(F)cc2[nH]1)CC(=O)O 587963441 WJLMPUFMWBKSQT-SSDOTTSWSA-N 268.263 2.885 0 1 CFAF O=C1C[C@]2(CN3CC[C@H]2C3)Oc2c1ccc1c2CCCC1 587523782 HPWVZTJNASNJAS-SCLBCKFNSA-N 283.371 2.605 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(C[C@H]1CCCO1)[C@@H](C2)C3=O 587456746 XXPCNFKNJKEIMI-ZUCKAHLUSA-N 288.343 2.770 0 1 CFAF N=C(N)c1ccc2nc(-c3cc4cc(N)ccc4o3)[nH]c2c1 587252613 GAKULHGRFOYCJH-UHFFFAOYSA-N 291.314 2.842 0 1 CFAF CCCn1ccnc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587390327 MEKFQLGEXSTCJM-AWEZNQCLSA-N 285.347 2.890 0 1 CFAF O[C@H](c1nc2cnc(Cl)[nH]c-2n1)c1ccccc1Cl 587060009 XXDVVFWZZLEGNG-VIFPVBQESA-N 295.129 2.693 0 1 CFAF CCOc1n[nH]c(-c2nc3cc(F)cnc3[nH]2)c1Cl 587064496 BFLZEHUWLFQLIE-UHFFFAOYSA-N 281.678 2.539 0 1 CFAF CCCc1cc2c(O)nc(O)nc2nc1-c1ccc(O)cc1 587560274 DRDVSNZJTJELME-UHFFFAOYSA-N 297.314 2.761 0 1 CFAF Cc1nccc2nc(-c3cccc(OCC(F)F)n3)[nH]c12 587123921 LHMYNFRNICLATM-UHFFFAOYSA-N 290.273 2.972 0 1 CFAF CC(C)c1cc2c(s1)N/C(=C/SCCN)NC2=O 958059127 IKDSMRKELOGBSD-UXBLZVDNSA-N 283.422 2.518 0 1 CFAF CC[C@@H](C)c1cccc(OC[C@H](O)CNC(C)C)c1 5922797 PPYOOTZYZMMBNR-UKRRQHHQSA-N 265.397 2.938 0 1 CFAF COc1cc2c3c(c1O)-c1c(O)cccc1C[C@H]3N(C)CC2 14775361 ZTYQCFCSVKJTSV-GFCCVEGCSA-N 297.354 2.859 0 1 CFAF CCn1c2c(c3ccccc31)CCN1CC[C@H](NC)C[C@@H]21 169321541 JINZNNAZYPEFOP-GUYCJALGSA-N 283.419 2.942 0 1 CFAF NC1=N[C@@]2(c3ccccc3)CO[C@@H](C3CC3)C[C@H]2CS1 209357770 DXFOXQOXOOZOFO-SQWLQELKSA-N 288.416 2.759 0 1 CFAF CC(=O)N1O[C@H](C)C[C@@H]1Nc1ccc(Br)cc1 1636393 VMOBFJZZRBPCOR-PRHODGIISA-N 299.168 2.759 0 1 CFAF Nc1nc(-c2ccccc2)nc(C(Cl)(Cl)Cl)n1 2034753 LNMQUUBLWHNBLN-UHFFFAOYSA-N 289.553 2.948 0 1 CFAF Cc1cccc(CNc2nc(N)n(-c3ccccc3)n2)c1 3647302 KHGZAPMTDWEZPW-UHFFFAOYSA-N 279.347 2.770 0 1 CFAF O=C1[C@H]([C@@H](O)c2cccnc2)CCCN1Cc1ccccc1 103295724 XFWFBYWUNNWOCC-IRXDYDNUSA-N 296.370 2.554 0 1 CFAF CSC[C@@H]1C[C@H]2c3cccc4[nH]nc(c34)C[C@H]2N(C)C1 27556016 GRJIHXZSQOIHFF-IFUGULHKSA-N 287.432 2.886 0 1 CFAF CC(=O)C[C@@H]1O[C@H](C)[C@H](C)c2c(C)c(O)cc(O)c21 2356419229 KQJUPJPMSHSUKV-PLMOITTCSA-N 264.321 2.949 0 1 CFAF COc1cccc2c1SC(=O)CN(C1CCCC1)C2=O 27894287 ZGSJXYCUXMKBAY-UHFFFAOYSA-N 291.372 2.712 0 1 CFAF CN(C)CC[C@H]1CN(C)C(=S)c2ccc(Cl)cc2O1 26289817 NXYRMFXTUHUHCP-NSHDSACASA-N 298.839 2.660 0 1 CFAF CC(C)[C@@H]1CC[C@H](C(=O)O)[C@H]2CCC(C(=O)O)=C[C@H]12 2356691164 ZOKQSCUWIKMMTB-QNWHQSFQSA-N 266.337 2.790 0 1 CFAF CCC[C@@H](CCC(=O)O)c1ccc(S(=O)(=O)O)cc1 2356816432 DBANCWXFGWHFPK-JTQLQIEISA-N 286.349 2.682 0 1 CFAF O=C(/C=C/c1ccc(O)c(F)c1)NCCc1ccccc1 64251771 OXBMYXGJRAXJFS-VQHVLOKHSA-N 285.318 2.903 0 1 CFAF CCOC(=O)c1cc(COc2ccnc3ccccc23)on1 40899658 AQYPGDVWEXMZJZ-UHFFFAOYSA-N 298.298 2.979 0 1 CFAF CO[C@@H]1CC[C@@H]1N1C(=O)CS[C@H]1c1c(F)cccc1F 42878662 DOYWPVHFSLHLKP-WDMOLILDSA-N 299.342 2.716 0 1 CFAF CC[C@@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24O3 195144290 POIANFSUDFGZHE-DSPIJUDESA-N 280.364 2.853 0 1 CFAF C[S@](=O)CCCCCCCCCCCNC(N)=S 238734775 KLTJWWZVRSXPKD-SFHVURJKSA-N 292.514 2.709 0 1 CFAF CO[C@@]12C[C@]3(C)CCC[C@](C)(O)[C@H]3CC1=C(C)C(=O)O2 238782487 DWKVFTSXSNTDJB-QCEMKRCNSA-N 280.364 2.554 0 1 CFAF COC(=O)Cn1nc(-c2cccc(OC)c2)c2ccccc21 95755706 HKESSCOHFVBZRN-UHFFFAOYSA-N 296.326 2.885 0 3 CFAF c1cc2c(cc1CN[C@@H]1[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]1[C@@H]6C[C@H]53)OCO2 261177822 VGYQUDBPYFLBLJ-LSLPFSJISA-N 295.382 2.651 0 1 CFAF CC[C@@]1([C@@H]2CCOC2)CC(=O)c2cc(C)cc(N)c2O1 587411342 IMAQTZUDIAAJIX-BZNIZROVSA-N 275.348 2.728 0 1 CFAF O=C(O)c1ccc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c1 586883621 CQUPLBSRSJQSPL-JFGNBEQYSA-N 296.326 2.900 0 1 CFAF CCOc1ccccc1OCc1nc2cncc(OC)c2[nH]1 587779859 HBLZZLOMUCOZOS-UHFFFAOYSA-N 299.330 2.944 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncn3ccccc13)O2 587393504 IFFCYOJLQAHXGQ-OAHLLOKOSA-N 293.326 2.931 0 1 CFAF C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(C(=O)O)c(F)cc2[nH]1 587963630 PMJVVTKJZAOUMY-SFYZADRCSA-N 290.294 2.558 0 1 CFAF COc1cc2oc(=O)ccc2c(OC)c1/C=C/C(C)(C)O 14767818 QLOOQQRVUQESCO-BQYQJAHWSA-N 290.315 2.594 0 1 CFAF COc1ccc2scc(CCNC(=O)C3CC3)c2c1 13738665 LLQOSVBXLRZEOL-UHFFFAOYSA-N 275.373 2.979 0 1 CFAF CCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)c[nH]1 1638628 BXMIPSHBHFUGJK-UHFFFAOYSA-N 275.304 2.876 0 1 CFAF CC(=O)Nc1ccc(C2=N[C@H](CC(C)C)CO2)cc1 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CC1=C2C[C@H](CO)O[C]2c2cc(Br)ccc2N1 2356847420 NTXAOBBNLMTXJY-SECBINFHSA-N 295.156 2.810 0 1 CFAF CCCCN1CC=c2c3ccccc3n3c(=O)ccc1c23 2356855786 RTEMEQJKBFCGDJ-UHFFFAOYSA-N 278.355 2.572 0 1 CFAF CCOC(=O)[C@]12C[C@@]1(CC)c1cc(Cl)ccc1NC2=O 38147723 WZWRLQVVSBRWAX-LSDHHAIUSA-N 293.750 2.893 0 1 CFAF c1cnc(Nc2nc3c(s2)CCCc2n[nH]cc2-3)cn1 72118777 UAZAFDBTOFCZMD-UHFFFAOYSA-N 284.348 2.556 0 1 CFAF C[Si](C)(C)C[C@@](O)(Cn1cnnc1)c1ccc(F)cc1 195900775 DAJAKIHJIZEVQA-AWEZNQCLSA-N 293.418 2.643 0 1 CFAF C/C1=C\CC[C@@H](C)C(=O)C[C@@H]2[C@H](C)C(=O)O[C@@H]2C1 238774356 YBYPSUAEZKMISR-ZFSRGBIBSA-N 250.338 2.890 0 1 CFAF C[C@@H]1[C@@H](O)C[C@]23C[C@H]1[C@](C)(C(=O)O)[C@@H]2CC[C@@H]3C 238755186 OMLUGBLYLSZBOX-CPWXWZPBSA-N 252.354 2.530 0 1 CFAF COC(=O)c1cccc2nc(Cc3cccc(OC)c3)[nH]c12 387443971 PHVINYWNRNTHGD-UHFFFAOYSA-N 296.326 2.949 0 1 CFAF CCCc1c(O)ccc2c1O[C@@](C)(CN(C)C)CC2=O 587469763 PFYOLODNCSJGSR-MRXNPFEDSA-N 277.364 2.630 0 1 CFAF CCOc1n[nH]c(-c2nc3cncc(C)c3[nH]2)c1Cl 587065524 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963105013 MNFVZACHWQFRFX-GDBMZVCRSA-N 285.366 2.978 0 1 CFAF NCc1ccc(-c2cnccc2-c2cccnc2)o1 1857538405 YBOVVNPCSXZTHD-UHFFFAOYSA-N 251.289 2.862 0 1 CFAF COc1ccc(-c2nc3c4ccccc4oc(=O)n3n2)cc1 13741672 UCEMSWQKJRGXNH-UHFFFAOYSA-N 293.282 2.511 0 1 CFAF O=C1Oc2ccccc2[C@@]2(O)[C@H]3CCCCC[C@@H]3[C@@H]12 169300628 CONVEVQNXBXAGL-KHJVZFFJSA-N 258.317 2.620 0 1 CFAF O=c1cc(-c2c[nH]c3ncccc23)nc(-c2ccccc2)[nH]1 101473295 JFHNNMSJFADNFU-UHFFFAOYSA-N 288.310 2.980 0 1 CFAF CC(C)=CCCC(C)=CCNCCCN1CCOCC1 1911586200 ZTZQUBYIYSWOBD-UHFFFAOYSA-N 280.456 2.991 0 1 CFAF COc1ccc(C2=COc3cc(O)cc(O)c3[C@@H]2O)cc1 901451 KYMFSIXLIKXHRD-MRXNPFEDSA-N 286.283 2.573 0 1 CFAF in-vitro CC(=O)O[C@H]1C[C@@H]2[C@H]([C@H](C(C)C)CC[C@@]2(C)O)[C@H]1C(C)=O 59778461 YNNDVHBDEXCUNO-FHULIHMCSA-N 296.407 2.576 0 1 CFAF CCc1cc(-c2c[nH]c3nccc(Cl)c23)nc(N)n1 116641555 SFPRWTKWKSLGHV-UHFFFAOYSA-N 273.727 2.818 0 1 CFAF CC(=O)[C@H](C)[C@H](O)[C@H](C)c1ccc(C)c(C=CCO)c1 2356441883 HNLMCZDKGJJNMG-AHIWAGSCSA-N 276.376 2.690 0 1 CFAF CCNc1nc2cc(Cl)ccc2n2c(CC)nnc12 26296886 AYZQWMCEFVIUBZ-UHFFFAOYSA-N 275.743 2.925 0 1 CFAF COc1cc(C)cc2c1O[C@@H](C(F)(F)F)C(C(=O)O)=C2 64560652 IWBGGEKASHWNAZ-LLVKDONJSA-N 288.221 2.795 0 1 CFAF OC12C[C@@H]3CC(C[C@@H](C3)C1)N2CCc1cccc(F)c1 72104674 PQOYWDUBENTMOM-CBHXASLJSA-N 275.367 2.951 0 1 CFAF COc1cc(C(=O)CCCCCN(C)C)ccc1O 49055645 VSZILFSCHHLHOH-UHFFFAOYSA-N 265.353 2.706 0 1 CFAF Cc1cnc(N2CCC[C@@H]2C)nc1NCc1ccccn1 82202061 HIWMDMTUXROWKQ-ZDUSSCGKSA-N 283.379 2.781 0 1 CFAF N=C(N)NCC=C(c1ccccc1)c1ccccc1 45168850 ASTDDSSPFRJZLN-UHFFFAOYSA-N 251.333 2.601 0 1 CFAF COc1cc(O)cc2c(COC(C)=O)c(C)oc12 95588692 BZLHSWMSQOQOJN-UHFFFAOYSA-N 250.250 2.519 0 1 CFAF O[C@@H](/C=C/c1ccccn1)c1nc2ccccc2[nH]1 653732537 VNMVJTXVSXDNKP-VFNNOXKTSA-N 251.289 2.705 0 1 CFAF Nc1cnc(-c2nc3c(C(F)(F)F)cccc3[nH]2)nc1 587252390 DAMYMDYTBVVQJS-UHFFFAOYSA-N 279.225 2.621 0 1 CFAF COc1cc2c3c(c1)O[C@H]([C@H]1CCSC1)[C@@H](C2)C3=O 587449965 CRRHZMWOHQHMRH-PEGZWESCSA-N 276.357 2.564 0 1 CFAF CC(C)[C@@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)N(C)C 587199115 VKNVWPSJCIYOKD-QWHCGFSZSA-N 275.356 2.545 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(C)c1C)O2 587391561 SEZPHKFLAZQEMV-CQSZACIVSA-N 285.347 2.634 0 1 CFAF Cc1cc(Br)c2[nH]c(CC3OCCO3)nc2c1 586907111 DHOBFGZCINNCBX-UHFFFAOYSA-N 297.152 2.549 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(C1CCOCC1)[C@@H](C2)C3=O 587450117 DEQHEBYNAOBKSH-SUMWQHHRSA-N 288.343 2.628 0 1 CFAF CCN1CCC([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)CC1 587395462 MHBMCSJEERGSNE-INIZCTEOSA-N 288.391 2.643 0 1 CFAF COc1cc(NC(=O)c2cccn2C)ccc1-c1cnco1 13818689 IIMIZSAAEGBAAW-UHFFFAOYSA-N 297.314 2.941 0 1 CFAF COc1cc2cc(N[C@@H](C)CCCN)cnc2cc1OC 169320034 ORVSZODLENZMBZ-NSHDSACASA-N 289.379 2.791 0 1 CFAF Cc1ccc(-c2nn(C)nc2-c2nc[nH]c3nccc2-3)cc1 1857551306 HQQOIQXZBBXOIQ-UHFFFAOYSA-N 290.330 2.680 0 1 CFAF c1ccc(OCCNC[C@H]2COC3(CCCCC3)O2)cc1 13517545 QOHCMEXFTPJIRF-INIZCTEOSA-N 291.391 2.731 0 1 CFAF COc1ccc(C(=O)c2cc(O)cc(OC)c2)cc1 26573485 BUHLYXRGSCMHTQ-UHFFFAOYSA-N 258.273 2.640 0 1 CFAF OC1(c2ccccc2Cc2ccccc2)CCNCC1 39244726 UVMOAFALGPMJGN-UHFFFAOYSA-N 267.372 2.848 0 1 CFAF CCN(CC)C1=NCCNC(c2ccccc2F)=C1 100322429 WWCXDIRSDFKQDA-UHFFFAOYSA-N 261.344 2.510 0 1 CFAF O=C(O)CSc1cc(C(F)(F)F)nc(C2CC2)n1 100900665 RKQYFZQUFLRESR-UHFFFAOYSA-N 278.255 2.550 0 1 CFAF CN1[C@@H]2CCC[C@@H]1CC(N1CCN(c3ccccc3)C1=O)C2 100797985 ZKFXRTQPDWLBDB-HZPDHXFCSA-N 299.418 2.944 0 1 CFAF CN(C)C(=S)[C@@]1(c2ccccn2)CCCS1 26731340 PVSKWDASOYJOJO-LBPRGKRZSA-N 252.408 2.693 0 1 CFAF COC1=CC=C[C@H]2Cc3cccc(OC)c3C(=O)[C@@H]12 2356581447 WHATXAFZRPBQQC-IINYFYTJSA-N 256.301 2.767 0 1 CFAF CC1(C)CCC[C@]2(C)C3=C(CC[C@@H]12)CN(CC(=O)O)C3=O 1911581565 JUJQYLAPPAJAJZ-SJCJKPOMSA-N 291.391 2.836 0 1 CFAF O=c1[nH]nc(Cc2ccc(F)c(Cl)c2)c2c1CCCN2 139179924 LJDWWKBJFSNJOC-UHFFFAOYSA-N 293.729 2.511 0 1 CFAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(F)cc1)N2C 137297665 QUSLQENMLDRCTO-AJNGGQMLSA-N 277.339 2.565 0 1 CFAF O=C(CCc1ccccc1)C[C@H](O)Cc1ccc(O)cc1 49784912 MVRWWRLEWTZBMQ-GOSISDBHSA-N 284.355 2.888 0 1 CFAF CC(C)[C@@H]1Cc2[nH]nc(O)c2[C@H](c2ccc(F)cc2)O1 95599703 KVLPIPIXJYFDGK-JSGCOSHPSA-N 276.311 2.941 0 3 CFAF COc1ccc([C@H]2CN3CCCC[C@H]3CO2)cc1OC 299846637 IOIJULJCADKGNK-XJKSGUPXSA-N 277.364 2.630 0 1 CFAF Cc1cc2[nH]c(CC(=O)OCc3ccccc3)nc2c(C)n1 587782468 LFWGLLRLPDWUGU-UHFFFAOYSA-N 295.342 2.861 0 1 CFAF Cc1nc(C2CC2)sc1-c1nc2c(N)ccnc2[nH]1 587012053 MJBUCBWWVJRWEF-UHFFFAOYSA-N 271.349 2.849 0 1 CFAF COc1cc(-c2nc3c(C)nc(C)cc3[nH]2)cc(OC)c1O 587786754 WSKMCJGZOSKXIJ-UHFFFAOYSA-N 299.330 2.965 0 1 CFAF CCCc1c(O)ccc2c1O[C@](C)([C@H]1CCCN1)CC2=O 587487565 WFOPXVVLIYIWCZ-WBVHZDCISA-N 289.375 2.821 0 1 CFAF COc1cncc2nc([C@H](O)c3ccccc3Cl)[nH]c12 587057663 CSRHSYCDROKLLF-CYBMUJFWSA-N 289.722 2.702 0 1 CFAF CC(C)(C)c1cccc2nc(/C=C/S(C)(=O)=O)[nH]c12 586925095 FHFHIPKRBSDNEX-CMDGGOBGSA-N 278.377 2.876 0 1 CFAF COC(=O)c1cc(Cl)c2[nH]c(C3=COCC3)nc2c1 586912590 IQSINQGSJJCQMN-UHFFFAOYSA-N 278.695 2.764 0 1 CFAF CCCCC[C@@](O)(Cn1cncn1)c1ccc(F)cc1 1857765424 MZIXPEGSNUDJJO-OAHLLOKOSA-N 277.343 2.885 0 1 CFAF N[C@H]1C2(CCCCCC2)NC(=O)C12CCCCCC2 5566820 VYDUQVXUWUXMJK-CYBMUJFWSA-N 264.413 2.877 0 1 CFAF COc1ccc2c(c1)C(=N)[C@H](Cc1ccncc1)C2=O 13219489 RRECQAJYQWGKQT-AWEZNQCLSA-N 266.300 2.513 0 1 CFAF C[C@H](COc1cnc(Cl)c(Br)c1)N(C)C 13819633 UKVGZTUMKBTQQQ-SSDOTTSWSA-N 293.592 2.826 0 1 CFAF CC[C@H](C)CNC(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2 206490694 XLBCLVGDPJJBJT-JTQLQIEISA-N 290.363 2.572 0 3 CFAF O=C(Nc1ccccn1)c1cc(Oc2cccnc2)ccn1 167361704 ZBXLGNOACNOXLX-UHFFFAOYSA-N 292.298 2.916 0 1 CFAF O=C(c1ccc2occc2c1O)[C@@H](O)Cc1ccccc1 6096525 VRFVOPNFIDHBED-AWEZNQCLSA-N 282.295 2.925 0 1 CFAF COc1cc(C)c(OC)c2c1C[C@H](C[C@@H](C)N)CC2 27993095 QDYKNBNSVBXQTD-NEPJUHHUSA-N 263.381 2.854 0 1 CFAF CCCCc1c(C)n(C(=O)N2CCC(C)CC2)oc1=O 26849410 RZMSVANUOWXIML-UHFFFAOYSA-N 280.368 2.792 0 1 CFAF CC(C)(C)c1ccc2c(c1)[C@@]1(CCS2)NC(=O)NC1=O 26495114 HCJFUNWVAHHLFT-OAHLLOKOSA-N 290.388 2.515 0 1 CFAF CCCC(=O)NCCc1ccnc2ccc(OC)cc12 26277465 QPFBTHDYEIPJKI-UHFFFAOYSA-N 272.348 2.702 0 1 CFAF CCc1ccc(O[C@H](C)[C@H](O)CNC(C)(C)C)cc1 28227916 DWGXLLQFKBFURM-IUODEOHRSA-N 265.397 2.765 0 1 CFAF O=C1N=C(C2CCNCC2)CN1c1ccc(Cl)cc1 136670999 CAICUYGYAOZQAI-UHFFFAOYSA-N 277.755 2.721 0 1 CFAF investigational COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1cccs1)O2 84605040 BFJBGRWXGVSGLZ-GUDRVLHUSA-N 252.335 2.572 0 1 CFAF Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCCC[C@H]1O 95577313 HZGWWIQIWYFBPE-CHWSQXEVSA-N 270.336 2.697 0 1 CFAF COc1cc(C)nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587392974 ABSPUDGTTSMYOO-INIZCTEOSA-N 298.342 2.996 0 1 CFAF C[C@H](Sc1ncccn1)c1nc2c(Cl)ncnc2[nH]1 586962949 VOVRQAVSHVOBBE-LURJTMIESA-N 292.755 2.650 0 1 CFAF CCOC1CC([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1 587441632 HZTAZQVQBBJZDO-MXUAARBISA-N 288.343 2.626 0 1 CFAF O=C(NCc1nc2cccc(Cl)c2[nH]1)c1cscn1 587028211 MHXGJXDHHGPKNF-UHFFFAOYSA-N 292.751 2.603 0 1 CFAF Cc1cnc(Cl)c2[nH]c([C@H](O)c3cccc(O)c3)nc12 586890373 IVKJAXRBJXNRJO-GFCCVEGCSA-N 289.722 2.707 0 1 CFAF Cn1nc(-c2nc3ccc4c(c3[nH]2)CCCC4)c(F)c1O 587154692 CWRPXXLCKWCCAL-UHFFFAOYSA-N 286.310 2.687 0 1 CFAF O=C(O)c1ccccc1/C=C/c1nc2ccc(CO)cc2[nH]1 586878910 IJDLCCKIWUWCEV-SOFGYWHQSA-N 294.310 2.924 0 1 CFAF Nc1cccc(O)c1-c1nc2cc(F)c(F)c(F)c2[nH]1 587249788 JPWMRGVZWCFZFS-UHFFFAOYSA-N 279.221 2.935 0 1 CFAF Cc1ccc(C(=O)NC[C@@H]2c3ccccc3CCN2C)cc1 1772588207 WZWSGIKJEHXDIO-GOSISDBHSA-N 294.398 2.954 0 1 CFAF COc1c2c(c([C@@H](C)O)c(OC)c1OC)OC(C)(C)C=C2 13307155 JYLYLBHQYOCRFQ-SECBINFHSA-N 294.347 2.950 0 1 CFAF CN1CCc2cc3c(c4c2[C@@H]1Cc1cccc(O)c1-4)OCO3 14683238 IKMXUUHNYQWZBC-LBPRGKRZSA-N 295.338 2.873 0 1 CFAF in-vivo CC(C)c1cnc(Nc2ccc(S(N)(=O)=O)cc2)s1 16051832 LPQUJAANWFHCJV-UHFFFAOYSA-N 297.405 2.658 0 1 CFAF in-vivo C[C@@H]1SC(N)=N[C@@]2(c3ccccc3F)COCC[C@@H]12 169711638 WMWGKSSCFRXZOM-BHDSKKPTSA-N 280.368 2.508 0 1 CFAF COc1cc([C@@H](C)O)c[n+](CC[C@@H]2CNc3ccccc32)c1 1630263 YZGGZETUQKBYKW-ZIAGYGMSSA-N 299.394 2.635 0 1 CFAF c1ccc([C@]23OC[C@@H](Cn4c2nc2ccccc24)O3)cc1 1846291 LCXASZQUGJCXBG-CXAGYDPISA-N 278.311 2.666 0 1 CFAF in-man CC(=O)NC[C@@H]1C[C@H]1c1cccc2c1O[C@@H](C(C)C)N2 28223512 KYVDHDJATMBERL-GHJWDPDVSA-N 274.364 2.713 0 1 CFAF CCc1c(C)nc2c(-c3ccccc3OC)c(C)[nH]n2c1=O 103856663 XXEAEHLUWYHRSN-UHFFFAOYSA-N 297.358 2.877 0 3 CFAF C[C@@H]1C[C@@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3C)CC1=O 29218384 GJEVWFOGJRBNKF-NFBAFIMDSA-N 285.387 2.505 0 1 CFAF Cc1ccccc1CNc1ncnc2c(C(N)=O)cccc12 114348647 ZKJCIVWLHGZHIM-UHFFFAOYSA-N 292.342 2.649 0 1 CFAF CC(C)(CN)n1c(=O)[nH]c2cc(Nc3ccccc3)ccc21 40822456 PMOCQADHZBYVIN-UHFFFAOYSA-N 296.374 2.767 0 1 CFAF CCCN1CCC(c2ccc(S(C)(=O)=O)cc2)CC1 84670233 XPQIKGMGTVAKLA-UHFFFAOYSA-N 281.421 2.680 0 1 CFAF CN(C)c1ccccc1S(=O)(=O)c1ccccc1 96911076 QOFOLNOGEJHONX-UHFFFAOYSA-N 261.346 2.585 0 1 CFAF Cc1coc2c1[C@H](O)[C@@]1(C)C(=C2O)CCC[C@@H]1C(=O)O 238730846 MRZYPKDTXGJJEW-DVJZZOLTSA-N 278.304 2.795 0 1 CFAF COc1ccc([C@](C)(O)c2nc(O)nc3ccccc23)cc1 299862175 JHOVXXNETNEHPS-KRWDZBQOSA-N 296.326 2.600 0 1 CFAF COC(=O)[C@@H](C)Cc1cc2c3c(cccc3n1)CC2 587212965 DFJHMVSKQLKALU-JTQLQIEISA-N 255.317 2.685 0 1 CFAF Cc1[nH]c2c(C(=O)O)cccc2c1-c1ncccn1 587639427 VTHYGGALDMHZBC-UHFFFAOYSA-N 253.261 2.632 0 1 CFAF C[C@@]1(c2nc3cnccc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173683 GJIZFBINIMDUEI-INIZCTEOSA-N 297.289 2.725 0 1 CFAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cnccc3[nH]1)C2 586885180 KNSXFDGUNGLHPF-DCAQKATOSA-N 253.305 2.597 0 1 CFAF CO[C@@H]1[C@@H](C)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1(C)C 587403648 PHHIFBORKYVHMB-FNDUUJAJSA-N 289.375 2.972 0 1 CFAF c1cc2c3c(c4c(nc3c1)CC[C@@H](N1CCOCC1)C4)CC2 587213537 XCQBCMXUWJFTRM-CQSZACIVSA-N 294.398 2.523 0 1 CFAF CC(=O)NC[C@]1(C)NCCc2cccc(-c3ccccc3)c21 962670147 QIXPXHOQXWDJJE-IBGZPJMESA-N 294.398 2.851 0 1 CFAF CSc1cccc(Nc2nc(C[C@H](C)O)ns2)c1 82047165 BJYAMLAURSQGIC-QMMMGPOBSA-N 281.406 2.927 0 1 CFAF Cc1c(O)cc(O)c2c(=O)c(Cc3ccc(O)cc3)coc12 13327576 XVSYMGXOGKVZNF-UHFFFAOYSA-N 298.294 2.809 0 1 CFAF c1ccc(CSc2n[nH]c(Nc3cccnc3)n2)nc1 14964357 LJYQBCYDGPEXAJ-UHFFFAOYSA-N 284.348 2.631 0 1 CFAF O=C1c2ccccc2CN1C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 1857642248 RXTOXCNYUZLSDP-LGBHXNNWSA-N 283.371 2.726 0 1 CFAF CCC(=O)NCCc1cn(CC)c2ccc(OC)cc12 141832059 ASOIDUDAGKXVLY-UHFFFAOYSA-N 274.364 2.739 0 1 CFAF CSc1nc([C@@H](C)c2c(F)cccc2F)cc(=O)[nH]1 13474560 JWDXPGJOYVEABS-SSDOTTSWSA-N 282.315 2.922 0 1 CFAF c1ccc2c3c(c(N4CCOCC4)nc2c1)CCCC3 1658449 PQFPGVBGDZEYHR-UHFFFAOYSA-N 268.360 2.950 0 1 CFAF Cc1sc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)c(C(N)=O)c1C 102825291 RXXNNFSZEKZEES-GMTAPVOTSA-N 292.404 2.839 0 1 CFAF CCN(CC)CCCOc1ccc2sc(=O)oc2c1 103202100 LHNZALTTYSCIOU-UHFFFAOYSA-N 281.377 2.965 0 1 CFAF CN1C(=O)CN(CC2CCCCC2)C(=O)c2ccccc21 28818468 JMAHVKCTOGXDEP-UHFFFAOYSA-N 286.375 2.686 0 1 CFAF NCCNCc1ccc(-c2ccc3ccccc3n2)cc1 28246266 MXZIXLMPXFOYPP-UHFFFAOYSA-N 277.371 2.950 0 1 CFAF CC(C)(C)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 113831651 QEZPNXRXCSFEBV-HOTGVXAUSA-N 286.419 2.733 0 1 CFAF COC(=O)[C@H](C)[C@H]1C[C@H](C(C)(C)C)OC(C)(C)O1 2356698522 ZWYLABZMMQLCDW-GMTAPVOTSA-N 258.358 2.752 0 1 CFAF Nc1nc2n(n1)C1(CCCCC1)[C@@H]1CCCCC1=N2 38141327 MMFXTANLFDSSKH-SNVBAGLBSA-N 259.357 2.796 0 1 CFAF COc1ccc(Nc2nc(N)nnc2-c2ccccc2)cc1 3846914 FRSQZQNWOHYKMH-UHFFFAOYSA-N 293.330 2.873 0 1 CFAF biogenic CN1CC[C@@]2(C1)Oc1ccccc1[C@H]2n1cccc1 40723432 WMBAOQGKEFYPIH-CVEARBPZSA-N 254.333 2.544 0 1 CFAF CCN(CC)c1ccc(C(=O)Cn2ccc(=N)cc2)cc1 45167032 GFUHZWGJHYSPQC-UHFFFAOYSA-N 283.375 2.697 0 1 CFAF COC1=C[C@@H]2Oc3cc(OC)cc(C)c3C(=O)[C@@H]2C(O)=C1 238764020 VPEWYQPRZOSYDH-DZGCQCFKSA-N 288.299 2.549 0 1 CFAF S=C1N[C@@H](c2ccccc2Cl)N2CCCCN12 96282411 ONQDNJZVYVBJKN-LLVKDONJSA-N 267.785 2.540 0 1 CFAF CC1=CC[C@H](O)C[C@@H]1N(C)/C=C\c1ccc(O)cc1 238743361 PFNAYQCGWMWAMD-VNEPOGMYSA-N 259.349 2.764 0 1 CFAF C=COC(=O)N1[C@H]2CCC[C@@](Cl)(C(C)=O)[C@H]1CC2 254111124 BEOIGTMHOGUMPJ-DMDPSCGWSA-N 271.744 2.850 0 1 CFAF CC(=O)Nc1cc(-c2nc3cc(CO)ccc3o2)ccc1O 473108555 NICTUELBYWYRBE-UHFFFAOYSA-N 298.298 2.651 0 1 CFAF CCN(CC)c1ccc2cc(C(=O)C[S@@](C)=O)oc2c1 299861957 MFQWEXCBEPNHOT-HXUWFJFHSA-N 293.388 2.840 0 1 CFAF O=c1ccc2cc(-c3nc4ncnc(Cl)c4[nH]3)ccc2o1 586916673 RJRRDPRQGVZLRD-UHFFFAOYSA-N 298.689 2.780 0 1 CFAF COc1cccc(-c2nc3cccc(C(=O)O)c3[nH]2)c1O 587785619 DPZBRPVCHHYZKR-UHFFFAOYSA-N 284.271 2.642 0 1 CFAF C[C@H](CCc1nc2cc(F)cc(F)c2[nH]1)CC(=O)O 587963464 XCMKYXSXOKDVFO-SSDOTTSWSA-N 268.263 2.885 0 1 CFAF CCOC(=O)Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587777556 QNYMKWBZWRVZJK-UHFFFAOYSA-N 290.216 2.826 0 1 CFAF CCc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)on1 587436316 NQUPKOGVYALTOI-BZNIZROVSA-N 285.299 2.734 0 1 CFAF COc1cc2nc([C@H](C)Sc3ncccn3)[nH]c2cn1 586963173 FTISBXJKXBALKP-QMMMGPOBSA-N 287.348 2.610 0 1 CFAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(=N)[nH]cc2[nH]1 587196400 UIRYWMCZIFPNSQ-SNVBAGLBSA-N 281.363 2.588 0 1 CFAF C=C1Nc2sc(Cc3ccccc3)cc2C(=O)N1N 958061081 LENHDRIVZUCMTC-UHFFFAOYSA-N 271.345 2.552 0 1 CFAF C=C1NN(c2ccc(C(=O)O)cc2)C(=O)c2ccccc21 957741130 IMRZFKHTMGKHPN-UHFFFAOYSA-N 280.283 2.521 0 1 CFAF Oc1cc(O)cc(CCc2ccc3c(c2)OCO3)c1 1772582901 ZSGGJOVYYUOBJB-UHFFFAOYSA-N 258.273 2.612 0 1 CFAF Cc1ccc(-c2ccccc2CN2C[C@@H]3CNC[C@H]3C2)o1 1772627393 LXKSKCYEUICUFC-HOTGVXAUSA-N 282.387 2.906 0 1 CFAF CCCCCC[P@@](=O)(O)OC[C@H]1COC(C)(C)O1 5973162 HYUHDRQWMBBBMK-LLVKDONJSA-N 280.301 2.920 0 1 CFAF O=C(NCCC1=CCCCC1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)O 5562093 MFNHOXMUXZEVAG-CBBWQLFWSA-N 289.375 2.516 0 1 CFAF O=C(/C=C\c1ccc(O)cc1)Nc1ccccc1C(=O)O 13374804 INBHLTYBRKASIZ-YFHOEESVSA-N 283.283 2.742 0 1 CFAF endogenous,in-man c1ccc(-c2nnc([C@@H]3CC(c4cccnc4)=NO3)o2)cc1 13660391 WZUSBGRYVVPRDA-AWEZNQCLSA-N 292.298 2.997 0 3 CFAF C[C@H]1C(=O)S[C@@](C)(Cc2cc(F)cc(F)c2)C1=O 169717833 KSLVQTGXSWEYIO-UHLUBPPHSA-N 270.300 2.745 0 1 CFAF CCC[C@H]1C(=O)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205713331 DAXGECKQHUSIDQ-DVOMOZLQSA-N 263.381 2.927 0 3 CFAF Cc1cc(-c2nnc(SCc3cccnc3)o2)no1 1337594 AFWBCYBFYTVGGP-UHFFFAOYSA-N 274.305 2.720 0 3 CFAF CCOC(=O)c1cc(/C=C/C(C)=C/C(=O)OC)oc1C 1625590 ZGNJWBNDXQQTEM-LQPGMRSMSA-N 278.304 2.897 0 1 CFAF CCCCNC(=O)[C@@]1(C)CON=C1c1cccc(Cl)c1 2470678 ZYLTZXYGFDFWCP-HNNXBMFYSA-N 294.782 2.997 0 1 CFAF O=C1C=C(c2ccccc2)/C(=C\I)O1 100831267 ZSYJJVLEEDIWNJ-JXMROGBWSA-N 298.079 2.903 0 1 CFAF O=C1CSc2c(Cl)cccc2N1C[C@@H]1CCCO1 103211838 OHNPANAOAVUJKA-VIFPVBQESA-N 283.780 2.958 0 1 CFAF COc1ccc([C@H]2CNc3cc(OC)cc(O)c3C2=O)cc1 103229493 QMSXKMYDTJUORN-CYBMUJFWSA-N 299.326 2.801 0 1 CFAF CN1CCC[C@H]1COc1cncc(CCc2ccncc2)c1 27718608 GJAZCCXAIHABGD-KRWDZBQOSA-N 297.402 2.735 0 1 CFAF Cc1nnc(Sc2coc3ccccc3c2=O)o1 28825587 LZJBBRSYGNAOFY-UHFFFAOYSA-N 260.274 2.636 0 1 CFAF CCCc1cc(Cc2cnc(N)nc2N)cc2c1O[C@H](C)C2 29567721 DCRSGBFAFLZIKI-SNVBAGLBSA-N 298.390 2.508 0 1 CFAF COc1cccc(Cn2cc(-c3ccc(O)cc3)nn2)c1 64549669 FXULPXRRIHJEOR-UHFFFAOYSA-N 281.315 2.708 0 1 CFAF COc1ccc(F)cc1CCC[C@@H]1CC[C@H](CN)O1 40862083 BWBCTVUBHWYIEP-ZIAGYGMSSA-N 267.344 2.663 0 1 CFAF C[C@@H]1CC[C@@]2(C)C(C)(C)[C@H]3C[C@@]12[C@@H](O)C=C3C(=O)O 238736780 OHVOURKKOMEQPG-CHIYKUSMSA-N 264.365 2.841 0 1 CFAF Cc1cnn(CCCN2C(=O)CCc3ccccc32)c1 95529150 LLXICFSORCBYGO-UHFFFAOYSA-N 269.348 2.561 0 1 CFAF O[C@@]12[C@@H]3[C@H]4C[C@H]5[C@@H]6[C@@H]4[C@@H]1[C@@H]6[C@@H]([C@H]53)N2Cc1cccc(Cl)c1 261160396 QSSZMHMBGVJKCS-GBGAKDAYSA-N 299.801 2.601 0 1 CFAF COC(=O)C(=O)c1c(-c2cccnc2)[nH]c2cc(F)ccc12 587636638 ALSCSVXAIRUHHJ-UHFFFAOYSA-N 298.273 2.725 0 1 CFAF Nc1ncnc2[nH]c(Cc3ccccc3C(F)(F)F)nc12 587109239 ZYUXHVCDAYJFCA-UHFFFAOYSA-N 293.252 2.545 0 1 CFAF CCc1nc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)[nH]1 587396719 OFHGWKMJEMEGBD-CYBMUJFWSA-N 285.347 2.878 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](c1cccnn1)CC2=O 587487256 WFFAQAJWRSEIEU-OAHLLOKOSA-N 284.315 2.841 0 1 CFAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C)O)N1 587824417 BQTHKEDCUSSORR-NQYJQULFSA-N 288.160 2.544 0 1 CFAF Cc1sc2c(c1C)CCN[C@@]21CCN(C)[C@H](C)C1 963034028 WYLYHAFMAIWRKS-MEBBXXQBSA-N 264.438 2.820 0 1 CFAF CN1CCc2c(Br)cccc2[C@@]12CCCC2=O 963289456 NLIFJCRBZNFGLS-CQSZACIVSA-N 294.192 2.885 0 1 CFAF O=C1c2ccccc2O[C@]1(O)Cc1ccc(Cl)cc1 13385782 SGHMQSOFJHQKCW-OAHLLOKOSA-N 274.703 2.846 0 1 CFAF biogenic,in-vitro CC(=O)Oc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 13731834 VUSHUJJMAWIKFI-UHFFFAOYSA-N 270.332 2.812 0 1 CFAF O=c1oc2ccccc2c(=O)n1-c1ccc(Cl)cc1F 205220351 RILBUYJUPYFREN-UHFFFAOYSA-N 291.665 2.736 0 1 CFAF NC(=S)c1cccc(-c2ccc(O)c3c2CCC3=O)c1 1857592194 VVDJSDPDCFFLQP-UHFFFAOYSA-N 283.352 2.822 0 1 CFAF O[C@]1(c2ccccc2)c2cc(Cl)ccc2C2=NCCN21 13491090 TXMKWLMXNSUAPQ-MRXNPFEDSA-N 284.746 2.609 0 1 CFAF COc1cc([C@H](C)O)c[n+](CC[C@@H]2CNc3ccccc32)c1 1630262 YZGGZETUQKBYKW-UONOGXRCSA-N 299.394 2.635 0 1 CFAF NC1=N[C@@H](c2ccc(F)cc2)Cc2c(F)cccc21 3959794 KEASVJPWDYZLCE-CQSZACIVSA-N 258.271 2.968 0 1 CFAF COC(=O)C1=C(c2nc3ccccc3o2)C[C@@H]2CC[C@@H]1O2 101501257 JHGBEMIRZAHFKB-ZANVPECISA-N 285.299 2.706 0 1 CFAF O=c1cc(N2CCOCC2)oc2cc(-c3ccco3)ccc12 28530391 NRVNKSJIUICAFS-UHFFFAOYSA-N 297.310 2.890 0 1 CFAF C[C@@H](c1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 102207167 RWIZCLOKALYHLB-VLVIQNCWSA-N 281.355 2.945 0 1 CFAF CCCC[n+]1cccc2c1CC[C@H]1[C@@H](O)CCC[C@@H]21 26285276 AMVOCAFZNUMROI-LXZKKBNFSA-N 260.401 2.965 0 1 CFAF CC(C(=O)O)=C1CC(C)(C)C[C@@H]2[C@H]1CC[C@]2(C)O 2356486818 FMPSNIUPCNLEGV-NVBFEUDRSA-N 252.354 2.985 0 1 CFAF CC[C@@H]1CN2CC[C@@]34C(=Nc5ccccc53)[C@H]2C[C@H]1[C@H]4CO 2356568871 PYMHIOSGBXFQPS-FSVXMFGJSA-N 296.414 2.753 0 1 CFAF CC(=O)OCC(C)=CCC[C@](C)(O)[C@@H]1CC[C@@](C)(O)[C@H]1C 2356804102 AARBOKSNAGDJKW-SVGFKBNWSA-N 298.423 2.824 0 1 CFAF Fc1ccccc1Oc1ccccc1OC1CNC1 66112436 WWTGDTLFSFRIFW-UHFFFAOYSA-N 259.280 2.969 0 1 CFAF CCC[C@H](O)CC(=O)CCc1cc(F)cc(OC)c1 1911575302 NRVOBFFWKIRMFQ-ZDUSSCGKSA-N 268.328 2.887 0 1 CFAF CCCCOC(=O)CCC(=O)c1ccc([C@@H](C)O)o1 238746984 MUODHDJZQZKAKK-SNVBAGLBSA-N 268.309 2.639 0 1 CFAF COc1cc(OC)cc(Oc2cc(O)cc(O)c2)c1 238737320 JHYMOWQBPQGYRQ-UHFFFAOYSA-N 262.261 2.907 0 1 CFAF c1cc2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2cn1 587017776 ZEKIYMJCYAMIBW-LLVKDONJSA-N 272.333 2.933 0 1 CFAF COc1ccc(OC)n1-c1ccnc(Br)c1 587939176 CEVRIBLOJXVHNX-UHFFFAOYSA-N 283.125 2.652 0 1 CFAF Cc1ccnc2[nH]c(-c3cc(=N)[nH]c4ccccc34)nc12 587253981 OCPXDWLGFUJYJI-UHFFFAOYSA-N 275.315 2.894 0 1 CFAF COc1cc2c3c(c1)O[C@@H]([C@@H]1CCCSC1)[C@@H](C2)C3=O 587454580 YWYIZRZTDOPVKB-ABYOOWDOSA-N 290.384 2.954 0 1 CFAF Cc1nccc2[nH]c([C@]3(N)C[C@@H]3c3ccccc3F)nc12 587156371 MLFYVVDIKAFPJH-BZNIZROVSA-N 282.322 2.747 0 1 CFAF Cc1ccc(Nc2nc(O)c(CC(=O)O)s2)cc1 958045441 XYFQNFXTJYJEBX-UHFFFAOYSA-N 264.306 2.528 0 1 CFAF O=C(O)c1occc1Cn1c(O)cc2ccccc21 957986577 CGROTHSNLIXDPQ-UHFFFAOYSA-N 257.245 2.686 0 1 CFAF COc1cc(/C=N/c2ccc3c(c2)OCCO3)ccc1O 516913 CSQIEHIGXFKNDW-LICLKQGHSA-N 285.299 2.923 0 1 CFAF COC(=O)CC=C1c2ccccc2C[C@H](OC)[C@H]1C 1857622599 MTUFSMLKZVHUGN-NHYWBVRUSA-N 260.333 2.840 0 1 CFAF CCCCCC[C@H]([C@H](C)O)n1cnc(C(N)=O)c1Cl 13821032 ANJUWBLUJCKCDG-VHSXEESVSA-N 287.791 2.528 0 1 CFAF Oc1nc2ccc(Cl)cc2c2nc(-c3cccnc3)nn12 13860970 OGZOTYWWPNCPEE-UHFFFAOYSA-N 297.705 2.699 0 1 CFAF C[C@H]1C(=O)S[C@](C)(Cc2cc(F)cc(F)c2)C1=O 169717835 KSLVQTGXSWEYIO-FUXBKTLASA-N 270.300 2.745 0 1 CFAF NC1=N[C@@H](c2ccc(F)cc2)Nc2cccc(F)c21 13493546 AKOSZLBIPKPADG-AWEZNQCLSA-N 259.259 2.794 0 1 CFAF COC(=O)[C@@]1(Cc2ccccc2)Cc2ccccc2[C@H]1O 1646173 OAABOBLLGUGNRU-AEFFLSMTSA-N 282.339 2.678 0 1 CFAF COc1c2oc(C(C)(C)O)cc2cc2ccc(=O)oc12 2356340353 MUNOLWCAKBFQQF-UHFFFAOYSA-N 274.272 2.775 0 1 CFAF C[C@H](SC(=S)Nc1cccc(F)c1)C(=O)O 6425654 YZVPUJSZOQRGAV-LURJTMIESA-N 259.327 2.729 0 1 CFAF CC[C@@H](C)NC(=O)c1ccc(-n2cnc3cccnc32)cc1 6900600 FNFWZMWRULUFKB-GFCCVEGCSA-N 294.358 2.949 0 1 CFAF C[C@H]1CN(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc21 100807903 HKICGCAPHOJBAR-QEJZJMRPSA-N 299.418 2.945 0 1 CFAF C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1 114343516 IDOIWFPLBQQGRQ-LLVKDONJSA-N 292.342 2.902 0 1 CFAF COc1ccc(Cc2cn(-c3ccc(O)cc3)nn2)cc1 64559422 WIEDRLBVVJIVFL-UHFFFAOYSA-N 281.315 2.572 0 1 CFAF COc1cccc2nc(Nc3ccccc3)oc(=O)c12 27527307 KPSVMOLZYCWVNS-UHFFFAOYSA-N 268.272 2.940 0 1 CFAF CC(C)(COc1ccc(-c2ccc(N)cc2)cn1)C(=O)O 73220724 GMHMMQBKBHGGRZ-UHFFFAOYSA-N 286.331 2.820 0 1 CFAF Clc1ccc(CNC[C@H]2C[C@@H]2c2c[nH]cn2)cc1 35033823 QGRLYCYTQSXMLL-YPMHNXCESA-N 261.756 2.956 0 1 CFAF CCN1CCC(n2cnc3cnc4[nH]ccc4c32)CC1 95578907 RODKSBMXHMZTKN-UHFFFAOYSA-N 269.352 2.569 0 1 CFAF CCCc1cc2cc(NC(=O)c3nccnc3N)ccc2[nH]1 618010435 XCEHJSWDRUIGQC-UHFFFAOYSA-N 295.346 2.745 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(Cc1ccccn1)[C@@H](C2)C3=O 587436222 OGIOXHWJZDOFQC-KSSFIOAISA-N 295.338 2.839 0 1 CFAF O=C1C[C@@H](c2cn[nH]c2)Oc2c1ccc1c2CCCC1 587524052 JNRPRVIATSPRGR-HNNXBMFYSA-N 268.316 2.995 0 1 CFAF CCc1ccc(-c2nc3nc(O)nc(O)c3cc2C)cc1 587561002 JQDBYUNXDZXIHN-UHFFFAOYSA-N 281.315 2.974 0 1 CFAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)C(=O)O)N2 958054885 ZIVIYDLAJAONBH-UDGZVJEDSA-N 298.389 2.525 0 1 CFAF COCCn1cnc2cnc(Nc3cccc(F)c3)cc21 74388294 MLMUECGPNBPJDW-UHFFFAOYSA-N 286.310 2.960 0 1 CFAF NS(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2)cc1 9206 WJHBOSSYFGFFPC-OWOJBTEDSA-N 277.320 2.644 0 1 CFAF O=c1[nH]c(CC2CCOCC2)cc(O)c1-c1ccccc1 209499025 FUEPNFSIDWADKU-UHFFFAOYSA-N 285.343 2.717 0 1 CFAF CC(C)(C#N)NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1 150265660 AHIOLCBPVRAMBX-UHFFFAOYSA-N 299.374 2.780 0 1 CFAF Cc1cc(N)cc2c1N1Cc3cc(N)cc(C)c3N(C2)C1 103179730 VRHLBKBRCKELIG-UHFFFAOYSA-N 280.375 2.766 0 1 CFAF COc1ccc(OC)c([C@H]2CC(c3ccncc3)=NN2)c1 103220417 QNHVHRHKASWYHI-OAHLLOKOSA-N 283.331 2.538 0 1 CFAF CNC(=O)N(C)[C@H]1c2cc(C)ccc2Oc2ncccc21 28019900 KENYSAPTWKJIMW-CQSZACIVSA-N 283.331 2.856 0 1 CFAF Cn1ccc(-c2cccc3c2CC[C@@H]3c2ncc[nH]2)n1 29048124 RDVMPVYUEVZOKC-AWEZNQCLSA-N 264.332 2.888 0 1 CFAF [O-][n+]1onc2cc(/C=C/c3cccc(F)c3)ccc21 28648437 QREFZWMDUFAUMO-SNAWJCMRSA-N 256.236 2.771 0 1 CFAF CO[C@@]12C[C@@H](CO1)C(CO)=C1CC(C)(C)C[C@@H]1[C@H]2C 2356599901 QFXZTMBMDJGLJW-JBBSTSQOSA-N 266.381 2.740 0 1 CFAF COc1cc2c(cc1C)[C@H](C(C)C)C[C@@H](O)[C@@]2(C)O 2356752228 SEGVFKZPKBQZRQ-XZJROXQQSA-N 264.365 2.715 0 1 CFAF N#C[C@H]1C(=O)c2ccccc2-n2c1nc1ccccc12 39338031 FJZBGDHPIYUYFX-NSHDSACASA-N 259.268 2.829 0 1 CFAF N=C(N)NCCCCc1nccc2c1[nH]c1ccccc12 72179712 DJUXGCPKJDHXCP-UHFFFAOYSA-N 281.363 2.522 0 1 CFAF COc1ccc([C@@H]2Oc3cc(OC)ccc3C[C@@H]2O)cc1 36375070 UAZVYJFUSBJXNA-RDJZCZTQSA-N 286.327 2.741 0 1 CFAF COc1cc2c(cc1O)[C@@H](C1CCC1)N(C(C)=O)CC2 40394733 VHQQQJXUZPWCCN-MRXNPFEDSA-N 275.348 2.647 0 1 CFAF CC(=O)CC[C@@H]1C(=O)C[C@H](C(C)(C)O)CC[C@@H]1C 238783369 UYXPDSAGXXKPIL-UHTWSYAYSA-N 254.370 2.748 0 1 CFAF CCC(=O)N1CCCn2nc(COc3ccccc3)cc21 473153039 XNGHHIXTKBGWJS-UHFFFAOYSA-N 285.347 2.609 0 1 CFAF Cc1ccnc2[nH]c(-c3cc(F)cc(F)c3O)nc12 587134039 IRZMOKMFMPBLQG-UHFFFAOYSA-N 261.231 2.917 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(C(C)(C)OC)[C@@H](C2)C3=O 587439626 LWNVTYOOHRXNPX-MEDUHNTESA-N 276.332 2.626 0 1 CFAF Cc1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)c(F)c1 587146830 XYKZKTNHZUPFMR-UHFFFAOYSA-N 269.279 2.776 0 1 CFAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc[nH]c(=N)c3[nH]2)cc1 586892400 SDERUUMOSGXCGR-HZMBPMFUSA-N 282.347 2.516 0 1 CFAF Nc1ccnc2[nH]c([C@H]3Cc4ccccc4S3)nc12 587041423 BTNQJNLCXKXGMA-LLVKDONJSA-N 268.345 2.930 0 1 CFAF CC(C)(SCC(=O)O)c1nc2ccc(F)cc2[nH]1 586960568 XHUNHVXPLBTUGO-UHFFFAOYSA-N 268.313 2.755 0 1 CFAF Cc1nc(C)c(Cc2nc3c(C)ccnc3[nH]2)s1 587010763 BGQYHGOHZDOZKK-UHFFFAOYSA-N 258.350 2.930 0 1 CFAF Cc1cncc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c12 587136869 OVJAZIOSKNIMHY-UHFFFAOYSA-N 278.237 2.933 0 1 CFAF Nc1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2cc1N 587085202 ZVBDYSICILPVLR-UHFFFAOYSA-N 299.765 2.856 0 1 CFAF C[C@H](Oc1ccc(F)cc1)c1nc2c(N)ccnc2[nH]1 587168528 INEVREREYBYWCJ-QMMMGPOBSA-N 272.283 2.819 0 1 CFAF CCC(C)(C)[C@H]1CCc2nc3nc(O)nc(O)c3cc2C1 587561763 KPNDSLBNVKSDFV-JTQLQIEISA-N 287.363 2.977 0 1 CFAF CC[C@H](C)[C@@]1(C(=O)O)NCCc2c1sc(C)c2C 963032675 UWVCXXZWKIGFJV-RMLUDKJBSA-N 267.394 2.837 0 1 CFAF Cc1cc([C@]2(C)NCCc3c2c(C(C)C)nn3C)ccn1 962904066 AZIOVUGBYVIWKW-KRWDZBQOSA-N 284.407 2.656 0 1 CFAF O=C(/C=C/c1ccc(O)cc1O)OCCc1ccccc1 223852747 UMRRXTOTJXDMOX-VQHVLOKHSA-N 284.311 2.897 0 1 CFAF CC(C)(C)c1ccc(CCc2cc(O)c(O)nn2)cc1 1772570251 ISXRZJBYKSUUKO-UHFFFAOYSA-N 272.348 2.971 0 1 CFAF CCCC[C@@H]1CN=C(N)N1CCc1cccc(F)c1 12726979 WIRDRFINDLFOHH-CQSZACIVSA-N 263.360 2.557 0 3 CFAF Cc1ccc(-c2cc(O)c3[nH]c(=O)ccc3c2)c(C)n1 26178531 FPCWTFOXEZJKFF-UHFFFAOYSA-N 266.300 2.913 0 1 CFAF CCCCn1c(=O)c2cc(C(=O)O)cn2c2ccccc21 34216345 GVTLHQQJGJSOJV-UHFFFAOYSA-N 284.315 2.753 0 1 CFAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1[C@H](O)CC2=O 2356467789 FDFNTZDUOBCJMD-DTYCBIMDSA-N 286.371 2.788 0 1 CFAF OC1=C2C(=Nc3ncnn3[C@@H]2c2cccc(O)c2)CCC1 104012573 NXGNVYAXIFBPLS-CQSZACIVSA-N 282.303 2.655 0 1 CFAF CNC(=O)Nc1ccc(F)c(-c2nc3ncccc3o2)c1 103259398 UPBHQYXDYMPODD-UHFFFAOYSA-N 286.266 2.780 0 1 CFAF CCn1c2ccccc2c2cc(C(=O)OC)ncc21 59571631 YSDRHPGHGTURSH-UHFFFAOYSA-N 254.289 2.996 0 1 CFAF CCNc1[nH]nc(N)c1-c1nc2ccccc2s1 114397844 JAHVGBFYMGAVII-UHFFFAOYSA-N 259.338 2.700 0 1 CFAF COC(=O)[C@H](C)[C@H]1C[C@@H](C(C)(C)C)OC(C)(C)O1 2356698523 ZWYLABZMMQLCDW-MXWKQRLJSA-N 258.358 2.752 0 1 CFAF CC(C)=C[C@H]1C[C@@H](CC(=O)c2cc(O)ccc2O)C(=O)O1 2356728668 QRWTVFKEWNICIM-JQWIXIFHSA-N 290.315 2.569 0 1 CFAF CC(C)CCCCC=CCCOS(=O)(=O)O 2356833410 KFSZKAMIIWDKKZ-UHFFFAOYSA-N 250.360 2.969 0 1 CFAF CCOC(=O)C1=CC[C@H]2C(=O)c3cccc(Cl)c3O[C@H]12 84652478 BITOEBDIGMDKFI-ZANVPECISA-N 292.718 2.793 0 1 CFAF CC1=NN(C(=O)[C@H](C)Oc2ccc3ccccc3c2)C(=O)C1 45286391 JFKWHDMMTKGBLR-LBPRGKRZSA-N 296.326 2.742 0 1 CFAF Cc1nc2cnc3[nH]ccc3c2n1C1CCOCC1 95577377 TWKKVDUUNHTMJZ-UHFFFAOYSA-N 256.309 2.573 0 1 CFAF C[C@H](NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(C)(C)C 95585255 YCFLEMHGWPQDSP-VIFPVBQESA-N 286.379 3.000 0 1 CFAF in-vitro O=C(O)c1cccc(CN2CCC[C@H](Cc3ccn[nH]3)C2)c1 257344152 ZVZCWXVUGRPXPR-CQSZACIVSA-N 299.374 2.563 0 1 CFAF COc1cc2nc(C[S@](=O)CC3CC3)[nH]c2cc1Cl 586958303 DCKWSCPIFLKBKD-LJQANCHMSA-N 298.795 2.884 0 1 CFAF COc1cccc(Cc2nc3ccnc(OC)c3[nH]2)c1 587932474 YDSHLHHCLZDGDU-UHFFFAOYSA-N 269.304 2.566 0 1 CFAF CN1CCN(c2ccc3nc(C(C)(C)Cl)[nH]c3c2)CC1 587007478 DMQCSBYAVMGTOO-UHFFFAOYSA-N 292.814 2.789 0 1 CFAF COc1ccc(O)n1-c1c(N)cccc1Br 587936866 LNJPDMSVHPWGNX-UHFFFAOYSA-N 283.125 2.536 0 1 CFAF OCCc1nc2ccc(SC(F)(F)F)cc2[nH]1 586894551 LHAKDFGXAJDMQU-UHFFFAOYSA-N 262.256 2.710 0 1 CFAF COc1cc(/C=C/C(=O)Nc2ccc(O)cc2)ccc1O 200027633 QSNZCPGIRHKODZ-YCRREMRBSA-N 285.299 2.758 0 1 CFAF Oc1nc2cccc3c2n1C[C@H](N(CC1CC1)CC1CC1)C3 12356042 CHKVHTHJMWJGNJ-OAHLLOKOSA-N 297.402 2.789 0 1 CFAF C[C@H](O)c1ccc2c(c1)S(=O)(=O)c1ccccc1O2 3600289 CNBXNOMIYWIOAD-VIFPVBQESA-N 276.313 2.678 0 1 CFAF O=C(O)Cc1ccc2c(c1)CCc1ccccc1C2=O 26393733 OYUDOANJBAWBBO-UHFFFAOYSA-N 266.296 2.643 0 1 CFAF CCCN(CCC)CCc1ccc(OC)c2c1CC(=O)N2 28006832 KCMMXJNPAZQDKI-UHFFFAOYSA-N 290.407 2.854 0 1 CFAF Cc1cccc(C(=O)N2Cc3ccccc3C[C@H]2CO)c1C 40763385 MWMQFBVASLWUOP-KRWDZBQOSA-N 295.382 2.863 0 1 CFAF [O-][N+]1=CC(c2cc3ccccc3o2)=[N+]([O-])[C@H]2CCCC[C@H]21 101183436 PEQPGPBZDAYBSK-OLZOCXBDSA-N 284.315 2.638 0 1 CFAF O=C1NC(=O)[C@H](Cc2ccc3ccccc3c2)S1 29214801 OLOOKIQNTSJZJH-LBPRGKRZSA-N 257.314 2.734 0 1 CFAF Cn1c2c(c3ccccc3c1=O)[C@@H](O)c1ccccc1-2 29129435 CGBWHDVBRQFKIV-INIZCTEOSA-N 263.296 2.601 0 1 CFAF O=C(C[C@H]1OC(=O)c2ccccc21)c1ccc(O)cc1 60238835 ZSHGULRKMGLKJC-OAHLLOKOSA-N 268.268 2.877 0 1 CFAF CN1CCN2c3c(O)cccc3Cc3ccccc3[C@H]2C1 58615824 WUHSITNVPGCMRK-MRXNPFEDSA-N 280.371 2.790 0 1 CFAF Cc1ccc(C(=O)c2nc(N)nc3ccsc23)s1 48998525 JRJLWTFAGRPOQJ-UHFFFAOYSA-N 275.358 2.874 0 1 CFAF C[C@@H]1CC[C@H]2C(C)(C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32O4 195249842 DETKYIOHRCKRIT-TZOCZZIJSA-N 280.364 2.853 0 1 CFAF O=C(NCc1ccccc1)OCCc1ccc(O)cc1 95604488 NNIUWHXPDCSQJU-UHFFFAOYSA-N 271.316 2.861 0 1 CFAF CCOc1ccc2[nH]nc(-c3cccc(C(N)=O)c3)c2c1 96270049 GGWPAZYQWVWDSD-UHFFFAOYSA-N 281.315 2.728 0 1 CFAF CC1=NN2C(=O)COc3ccc(C(F)(F)F)cc3[C@H]2C1 95585330 CPOLUOFGIGGXAO-SNVBAGLBSA-N 284.237 2.747 0 1 CFAF C[C@@](O)(c1ccc2c(c1)OCO2)c1ncnc2ccccc12 299866368 OSGWDVRNKPOLQG-QGZVFWFLSA-N 294.310 2.614 0 1 CFAF Cc1cccc2c1[C@H](C)c1cc3c(O)nc(O)nc3nc1-2 587562416 ZSLOSBSPLSNNLJ-MRVPVSSYSA-N 279.299 2.877 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C)ncn1)O2 587394996 MWRWQFFYNJQERY-MRXNPFEDSA-N 283.331 2.556 0 1 CFAF COc1cc2nc(C34CCC(CO)(CC3)CC4)[nH]c2cn1 586895595 OSVNNRGNUXDQBP-UHFFFAOYSA-N 287.363 2.551 0 1 CFAF Cc1ncsc1CCc1nc2c(C)ccnc2[nH]1 587027753 JGONUIKMNFWYRA-UHFFFAOYSA-N 258.350 2.816 0 1 CFAF C[C@@H](F)[C@H](N)c1nc2cccc(OC(F)(F)F)c2[nH]1 587122029 BFAQKKDSMYYSDL-XRGYYRRGSA-N 277.221 2.819 0 1 CFAF CCOC1=C(C)[C@]2(CC1)NCCc1c(C(=O)O)cccc12 963132666 RRUATTDVILFNMG-KRWDZBQOSA-N 287.359 2.830 0 1 CFAF Cc1ccnc2c1CCN[C@]2(C)c1cccnc1Cl 963065449 DRQDYYHDTUNWER-OAHLLOKOSA-N 273.767 2.848 0 1 CFAF CCC[C@]1(C(=O)O)c2c(F)cccc2C[C@H]2CCCN21 963110075 QIXBJHCXJGEWNQ-MLGOLLRUSA-N 277.339 2.926 0 1 CFAF COC(=O)c1cc2c(OC(C)C)cc(OC)cc2[nH]1 169349115 XVHIQJWRYYLGFR-UHFFFAOYSA-N 263.293 2.750 0 1 CFAF CCSC(=O)NCCCC(=O)NCCc1ccccc1 1857547572 HOKTTZBYRPGVCY-UHFFFAOYSA-N 294.420 2.588 0 1 CFAF C[C@H]1[C@H]2Cc3ccc(C(N)=O)cc3[C@]1(C)CCN2CC1CC1 13490115 FAVQVALXVLMHLE-OEPMTFCVSA-N 298.430 2.720 0 1 CFAF COC(=O)c1ccc(OC)c(Oc2ccc(CO)cc2)c1 14502242 GXGFIIJHVFCEJE-UHFFFAOYSA-N 288.299 2.766 0 1 CFAF COc1ccc(CCNc2cccn3ccnc23)cc1 169313263 FDLJBOYOXYFEJT-UHFFFAOYSA-N 267.332 2.998 0 1 CFAF COc1c2c(cc3ccccc13)CC[C@@H](NC(C)=O)C2 13757220 WQUXCHXXRHWCMU-CQSZACIVSA-N 269.344 2.842 0 1 CFAF CCC(=O)SCC(CSC(=O)CC)CN(C)C 103291137 JCJZCHJMTZYAMN-UHFFFAOYSA-N 277.455 2.504 0 1 CFAF O=C(N[C@H]1C=C[C@@H](O)CCCC1)OCc1ccccc1 61943193 AXHCDPGMGGQMOH-CABCVRRESA-N 275.348 2.773 0 3 CFAF CC1(C)Oc2ccc(Cl)cc2[C@@H](N2CCCC2=O)[C@H]1O 26970270 DKBATQOPZPZAEX-ZIAGYGMSSA-N 295.766 2.535 0 1 CFAF CCN(CC)C(=O)NC(C)(C(F)(F)F)C(F)(F)F 3188974 VKPQVTFMVGDATR-UHFFFAOYSA-N 280.212 2.921 0 1 CFAF biogenic CC(=O)c1nc(NC(=O)C2CC2)ccc1-c1ccncc1 49090020 HZNFWYHPXMRXNB-UHFFFAOYSA-N 281.315 2.695 0 1 CFAF CC(C)C(CS(=O)(=O)O)(C(C)C)N(Cl)Cl 40914648 VMBOCGRVACURGN-UHFFFAOYSA-N 278.201 2.535 0 1 CFAF Oc1nnc2ccccccc(-c3ccc(F)cc3)nn12 1911575992 YLXPCKDBQHRIGB-UHFFFAOYSA-N 282.278 2.760 0 1 CFAF CN(C)c1ncccc1-c1nc2c(F)cc(F)cc2[nH]1 587196533 ZPNJTNNUQJALFV-UHFFFAOYSA-N 274.274 2.969 0 1 CFAF COC(=O)c1cc2nc(CCc3ccccc3F)[nH]c2cn1 587149296 KUMJHJKCUQLDMO-UHFFFAOYSA-N 299.305 2.669 0 1 CFAF Cn1cc(-c2ncc(-c3nc4cccc(O)c4[nH]3)s2)cn1 587021221 GRPZWBXTEFYEOC-UHFFFAOYSA-N 297.343 2.793 0 1 CFAF CCc1ccc(C(=O)CCc2nc3ncc[nH]c-3n2)cc1 587957289 VFEBRZNUNAYRNE-UHFFFAOYSA-N 280.331 2.682 0 1 CFAF Cc1c(-c2c[nH]c(C(=O)O)c2)[nH]c2c(C(=O)O)cccc12 587637799 ABVONHROPFRNHR-UHFFFAOYSA-N 284.271 2.868 0 1 CFAF Clc1cnc2[nH]c(CCOCC3CC3)nc2c1 587784303 POGZWEQBUOYJHF-UHFFFAOYSA-N 251.717 2.580 0 1 CFAF COc1cc2c(cc1OC)[C@](C)([C@H](C)N=O)N(C)[C@@H](C)C2 962626824 GGHMRZBTGFEWDO-MMPTUQATSA-N 292.379 2.950 0 1 CFAF CCSc1nc(-c2c(Cl)c(CC)nn2C)n[nH]1 5686722 CYTCBKAEBBWGGO-UHFFFAOYSA-N 271.777 2.533 0 1 CFAF Cc1cc2c(c3c1O[C@@H](O)[C@H]3O)-c1ccc(O)c(C)c1CC2 14723410 RDLDQEWYXLYSNL-FUHWJXTLSA-N 298.338 2.519 0 1 CFAF CCCN(CCC)[C@H]1CCc2cccc(C(N)=O)c2C1 13732356 QJUIHUWADATEMI-AWEZNQCLSA-N 274.408 2.765 0 1 CFAF Cc1nc2c(c(=O)[nH]1)-c1ccc(Br)cc1CC2 13832493 MLMLAMWDZSFLRL-UHFFFAOYSA-N 291.148 2.606 0 1 CFAF CN1CCN(c2ncncc2-c2ccccc2Cl)CC1 4239300 NJSDHUGNOGWDBH-UHFFFAOYSA-N 288.782 2.549 0 1 CFAF C[C@H](NC(=O)Cn1cc2c(n1)CC[C@@H](C)C2)c1ccccc1 6806874 BEKMNKLDIUWEDZ-KGLIPLIRSA-N 297.402 2.885 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2ccc(F)c(C)c2)C[C@H]2CC[C@H]1N2C 100739531 JWQGRCSMNJKNOQ-RRCSTGOVSA-N 291.366 2.873 0 1 CFAF CO[C@@H]1O[C@@]23C=CC[C@H](C)[C@@]2(C)[C@@H](C(=O)CC3)[C@@H]1C 100091471 FVTXNULUHYXYOE-BQAALJAISA-N 264.365 2.945 0 1 CFAF in-vitro Cc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4)cc2)c1 100108672 USONOLRJCQPBAR-PIIMJCKOSA-N 264.372 2.689 0 1 CFAF CC(C)[C@@H]1CC[C@]2(C)[C@@H](O)CCC(C(=O)O)=C[C@H]12 2356705203 AFZYVLSAQGQODC-XFMPKHEZSA-N 252.354 2.841 0 1 CFAF [CH]1c2cc3c(cc2-c2cccc4c2N1CC4)OCO3 2356854877 QGHNWXDOAZCANR-UHFFFAOYSA-N 250.277 2.968 0 1 CFAF CNCc1nc(-c2ccc[nH]2)c2cc(Cl)ccc2n1 72137593 NVDBQXWENSMZDM-UHFFFAOYSA-N 272.739 2.998 0 1 CFAF Cc1nn(C2CCCCC2)c(=O)c2c(N)scc12 84690841 INMFPTYZFZEZMM-UHFFFAOYSA-N 263.366 2.854 0 1 CFAF CC(=O)OCC(=O)c1csc(Cl)c1Cl 45351243 VIWUZDDDWGXKHU-UHFFFAOYSA-N 253.106 2.801 0 1 CFAF Cc1n[nH]c(C)c1CC(=O)NCc1ccc(F)cc1Cl 49073179 VLTURVHREGNKGZ-UHFFFAOYSA-N 295.745 2.678 0 1 CFAF O=C1N[C@@H]2CCCC[C@@H]2[C@H](c2ccccc2)[C@@H]1n1ccnc1 618016532 WIRBMZKFZWCBIC-YVSFHVDLSA-N 295.386 2.897 0 1 CFAF Cc1cc(-c2ccccc2)nn([C@H](C)CCC(=O)O)c1=N 377819844 QOVKGFUTRMBPDQ-GFCCVEGCSA-N 285.347 2.764 0 1 CFAF Cc1ccc2nc(Cc3sc(C)nc3C)[nH]c2n1 587011174 IGUBHODAABXFKJ-UHFFFAOYSA-N 258.350 2.930 0 1 CFAF COc1cc2c3c(c1)O[C@@H](C[C@@H]1CCCOC1)[C@@H](C2)C3=O 587454269 SDHPNEDJFISUBR-GDLCADMTSA-N 288.343 2.628 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)C[C@@H]3c1ccc(Cl)cc1 587368866 QJAFOHDPTISIPT-SECBINFHSA-N 299.717 2.777 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H]1CCCO1)O2 587413960 UPOUXINWAFXHLE-BZNIZROVSA-N 275.348 2.870 0 1 CFAF COc1cc2c3c(c1)O[C@]1(CCC[C@]4(C)O[C@H]41)[C@@H](C2)C3=O 587449216 ALSVMOPANTYDEJ-RGXXSHLXSA-N 286.327 2.523 0 1 CFAF CCCCC(=O)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587446542 YUGZEJAEZYKZNP-PXAZEXFGSA-N 288.343 2.961 0 1 CFAF COc1cc2nc(-c3ccc(OC)c(C)c3OC)[nH]c2cn1 587787534 LDLAVIXWIFOETN-UHFFFAOYSA-N 299.330 2.959 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)cn1)O2 587387225 OJTUPSAJIMWHMY-CQSZACIVSA-N 272.279 2.818 0 1 CFAF CCO[C@@H]1CCCC[C@@]12NCCc1c(C(=O)O)cccc12 963133927 UUPGLJBCXVPKRM-WBVHZDCISA-N 289.375 2.705 0 1 CFAF O=C1Nc2ncccc2N[C@H]1Cc1c[nH]c2ccccc12 1772649885 DNASGFXXJPEUMJ-AWEZNQCLSA-N 278.315 2.538 0 1 CFAF O=c1c(-c2cc(O)cc(O)c2)coc2cc(O)ccc12 14811746 FQUUMQNYCLGCCK-UHFFFAOYSA-N 270.240 2.577 0 1 CFAF C[C@H]1[C@H](O)C[C@]2(C)CC3(C[C@]12C)OCC(C)(C)CO3 169350694 QRQYYJQUDGHCLY-CTHBEMJXSA-N 268.397 2.963 0 1 CFAF CCOC(=O)C1(c2ccccc2)CCN(CCF)CC1 1854777 FYLHCNWAUWMDRB-UHFFFAOYSA-N 279.355 2.553 0 1 CFAF COC[C@@]1(O)C[C@@]23C(=C1C(=O)O)C[C@@H](CC[C@@H]2C)C3(C)C 2356355475 FXHYJUYTBCLABS-YNHQPCIGSA-N 294.391 2.611 0 1 CFAF Cc1nccn1C[C@H]1CC[C@H]2[C@@H](C1=O)c1ccccc1N2C 100382639 JIMWRSFMRULTNX-COXVUDFISA-N 295.386 2.773 0 1 CFAF COC(=O)C/C=C1\c2ccccc2C[C@@H](OC)[C@H]1C 102814063 MTUFSMLKZVHUGN-FDCLKBLSSA-N 260.333 2.840 0 1 CFAF c1cc2[nH]ncc2cc1-n1cc(C2CCCC2)nn1 66098098 IBGBSXSIBQRSNM-UHFFFAOYSA-N 253.309 2.801 0 1 CFAF COc1ccc(-c2cc3ncnc(NN)c3s2)cc1 21957851 JCTDTQJMOGTDHB-UHFFFAOYSA-N 272.333 2.653 0 1 CFAF O=C(O)C1=Cc2cc(CCn3ccnc3)sc2CC1 28259147 LGNQGOZIQZDYPM-UHFFFAOYSA-N 274.345 2.602 0 1 CFAF CC(C)C[C@@H](N)[P@](=O)(O)[C@@H](O)CCc1ccccc1 28702387 OPWYDOUDKJTIEP-UONOGXRCSA-N 285.324 2.539 0 1 CFAF CCCCOC(=O)[C@H](C)[C@@H]1CC[C@H](C[C@H](O)CC)O1 2356804553 ZFKDLZOPYLJGOP-SYQHCUMBSA-N 272.385 2.674 0 1 CFAF O=C1NC(=O)/C(=C/c2ccc(-c3ccoc3)o2)S1 35962262 GDSKTIXCDDUTAL-YHYXMXQVSA-N 261.258 2.864 0 1 CFAF O=C(O)c1cccc2[nH]c([C@@H]3COc4ccccc4O3)nc12 315675543 ZHYQGFHANNEHSV-ZDUSSCGKSA-N 296.282 2.774 0 1 CFAF CN(C)CCOC(=O)c1csc(Nc2ccccc2)n1 82086447 AWTMBOHQFQLOCW-UHFFFAOYSA-N 291.376 2.605 0 1 CFAF CC[C@@H]1CCC2=C[C@H]3C(C(F)(F)F)=CC(=O)N[C@H]3C=C2N1 195032226 CBBKASYECJYSCB-NRUUGDAUSA-N 298.308 2.576 0 1 CFAF NC(=O)c1cccc2c1-c1ccccc1[C@]2(O)C(F)(F)F 144689268 RFCGNNCOVDVKKU-CQSZACIVSA-N 293.244 2.564 0 1 CFAF Cc1nn(Cc2ccc3ccccc3n2)c(C)c1CC(=O)O 96270516 ALZAQECZSXNSDU-UHFFFAOYSA-N 295.342 2.724 0 1 CFAF Cc1cc(-n2ccn(-c3cnccc3C)c2=O)cs1 148668861 HXXGJLCTRJXISH-UHFFFAOYSA-N 271.345 2.702 0 1 CFAF CNC(=O)[C@H]1CCCc2c(-c3ccc(Cl)cc3)n[nH]c21 299866796 PKANRCPDIYUWAI-LBPRGKRZSA-N 289.766 2.896 0 1 CFAF COc1cccc(Cc2nc3cc(F)cnc3[nH]2)c1 587931932 PHUOCMMFDHNPBT-UHFFFAOYSA-N 257.268 2.696 0 1 CFAF Oc1ccc(C2(c3nc4cccnc4[nH]3)CCOCC2)cc1 586913809 PNFGHKBIDTWZRT-UHFFFAOYSA-N 295.342 2.760 0 1 CFAF Cc1cnc(Cl)c2[nH]c(-c3nc(Cl)cnc3N)nc12 587086053 DAQTVUKYPKYLHU-UHFFFAOYSA-N 295.133 2.612 0 1 CFAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3 587963951 WSBKPDOEGSPRCX-VHSXEESVSA-N 297.358 2.605 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn3ccnc13)O2 587394268 SHNLWVKVKJGYDQ-OAHLLOKOSA-N 293.326 2.931 0 1 CFAF O=[S@](Cc1nc2cnc3ccccc3c2[nH]1)CC1CC1 586959764 QHDIWXFHIYSPCK-FQEVSTJZSA-N 285.372 2.770 0 1 CFAF Cc1cnc2[nH]c(-c3cc(F)cc(F)c3O)nc2c1 587134361 PFNSEPCQVGDASK-UHFFFAOYSA-N 261.231 2.917 0 1 CFAF FC(F)(F)c1ccc(-c2cn3ccc[n+]3[nH]2)cc1 1772646744 HDDRNPQXBWOVKM-UHFFFAOYSA-N 252.219 2.539 0 1 CFAF CCCCSc1nsnc1C1=CCCNC1 13605356 QZGJDVQMJUMOQL-UHFFFAOYSA-N 255.412 2.807 0 1 CFAF COc1c(O)cc2c3c1-c1ccccc1[C@H](O)[C@H]3N(C)CC2 14635258 VCTKFZOYLPANHT-IRXDYDNUSA-N 297.354 2.644 0 1 CFAF CCc1ccc(C(=O)Cn2c(=N)n(C)c3ccccc32)cc1 169310399 QUVOLNNLBVOUBX-UHFFFAOYSA-N 293.370 2.905 0 1 CFAF Fc1ccc(Nc2cncc(N3C[C@@H]4C[C@H](C3)N4)c2)cc1 1857747087 PHXYNFXNEHTNMS-GASCZTMLSA-N 284.338 2.515 0 1 CFAF CC[C@H](C)CCNC(=O)OCCCc1c[nH]cn1 13793908 HGXALICWKOVEQW-NSHDSACASA-N 253.346 2.505 0 1 CFAF COc1ccc2c(c1)-c1c(O)c(OC)cc3c1[C@@H](C2)NCC3 6018720 RELZHBBKERFUAJ-CQSZACIVSA-N 297.354 2.819 0 1 CFAF O=C(c1ccc2occc2c1O)[C@H](O)Cc1ccccc1 6096587 VRFVOPNFIDHBED-CQSZACIVSA-N 282.295 2.925 0 1 CFAF C[C@@H]1CC[C@@H]2[C@@H](C)CO[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 26824412 FSZYCJZXDCDPHN-LJJRGKOZSA-N 252.354 2.937 0 1 CFAF CCO[C@]12C[C@@H]3CCC[C@H](C)[C@]3(C)[C@H](O)C1=C(C)C(=O)O2 2356443050 YVOOVMQQAQCZEN-NUKKGAITSA-N 294.391 2.800 0 1 CFAF C[C@@H]1CC[C@@H]2C=C(C(=O)O)[C@@H]3C[C@](C)(C(=O)O)C[C@]123 2356686483 HUJFKZCVAUJOMH-JMAFBPSCSA-N 264.321 2.544 0 1 CFAF C[n+]1ccc(CC(O)(c2ccccc2)c2ccccc2)cc1 82052331 AUVFUJDUEGOZKK-UHFFFAOYSA-N 290.386 2.990 0 1 CFAF CC(C)(N)CNc1nc(-c2cccnc2)cc2cnccc12 95561567 LVTMCZDGGRXWOX-UHFFFAOYSA-N 293.374 2.841 0 1 CFAF Nc1ncnc2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc12 587088035 SHKWOOOXZNSINU-UHFFFAOYSA-N 284.710 2.737 0 1 CFAF CS(=O)(=O)[C@@H]1CCCc2c1nc1cccc3c1c2CC3 587217204 UORDTMYWNINUQG-CQSZACIVSA-N 287.384 2.755 0 1 CFAF COC(=O)C[C@H](C)Cc1nc2ccc(F)c(C)c2[nH]1 587785103 LKAASHCBQHJRJL-MRVPVSSYSA-N 264.300 2.752 0 1 CFAF OCc1ccc(F)c(-c2nc3cc(Cl)ncc3[nH]2)c1 587141196 ZGZXQGLOJRNYFI-UHFFFAOYSA-N 277.686 2.910 0 1 CFAF N[C@H]1CC[C@@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 587246013 AZEFTTMWMGCIHL-XPUUQOCRSA-N 255.243 2.786 0 1 CFAF O=C([C@@H]1CCOC1)n1nc2cc1Oc1ccc(F)cc1-2 587874455 BJDWYLBPKHJDNU-MRVPVSSYSA-N 274.251 2.472 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(CCCn4cccc41)[C@@H](C2)C3=O 587436228 OKZJEEJOZCNIFU-UGSOOPFHSA-N 295.338 2.933 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnccc1C)O2 587396307 YSQSBBADTLEFHV-HNNXBMFYSA-N 268.316 2.987 0 1 CFAF COC(=O)[C@@H](F)c1nc2cccc3c2c(c1C)CC3 587210032 BGAARHJUDLMLRO-ZDUSSCGKSA-N 259.280 2.825 0 1 CFAF COc1c(F)cc(-c2nc3cccnc3[nH]2)cc1F 587134702 VWKXMOYAQWGFHK-UHFFFAOYSA-N 261.231 2.912 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CC1CCOCC1)O2 587413063 PLNJLFMYLNPLKF-LBPRGKRZSA-N 275.348 2.728 0 1 CFAF CC(C)=CCC/C(C)=C/C(=O)NC(=N)NC(=O)C=C(C)C 1857750600 BOLLUFKDBBFZLY-JLHYYAGUSA-N 291.395 2.812 0 1 CFAF CCCO[C@H](Cn1cncn1)c1ccc(F)cc1F 1857764298 JSWUDQICXWQQFI-CYBMUJFWSA-N 267.279 2.724 0 1 CFAF O=C1C(O)=C(c2ccc(Br)cc2)[C@@H]2CCCN12 1857767054 HJEXEROZXAAQQL-JTQLQIEISA-N 294.148 2.723 0 1 CFAF CCOC(=O)c1ccc([C@H]2CCCc3cncn32)cc1 13820314 LQCSQWQXNLFGKK-OAHLLOKOSA-N 270.332 2.986 0 1 CFAF CCN1CCN(c2csc3ccc(F)cc3c2=O)CC1 5202651 UMFAQNDOCWUWTR-UHFFFAOYSA-N 292.379 2.543 0 1 CFAF CCCN1CCC[C@@H](c2cccc(OS(C)(=O)=O)c2)C1 13738259 AHSLTJCTFBJCMT-CQSZACIVSA-N 297.420 2.614 0 1 CFAF COc1ccccc1CNC(=O)c1cc2ccncc2cn1 6485112 GFCHBFYVGXVIPH-UHFFFAOYSA-N 293.326 2.568 0 1 CFAF Oc1ccc(/C=C2\CCN=C2c2cccnc2)c(O)c1 103187528 XCVLGVUPVCGOTO-XYOKQWHBSA-N 266.300 2.769 0 1 CFAF c1cc2c(cc1CN[C@H]1[C@@H]3[C@H]4C[C@H]5[C@@H]6[C@H]4C[C@H]3[C@H]6[C@@H]51)OCO2 101699881 VGYQUDBPYFLBLJ-WFGKWVJBSA-N 295.382 2.651 0 1 CFAF CCCNc1c(C(=O)c2ccccc2F)c(C)nn1C 29344206 AAKJIIXBNUCQJH-UHFFFAOYSA-N 275.327 2.921 0 1 CFAF C[C@@H]1CCC2=C(C(=O)O)CC[C@@H](C(C)(C)O)C[C@@H]21 2356579610 GNHYOXJPHJUUIT-GIPNMCIBSA-N 252.354 2.985 0 1 CFAF CC(=O)O[C@@H](C)CCCC=CC[C@H](O)C=CC=CC(=O)O 2356595333 CFFRJDASPYBVKV-ZFWWWQNUSA-N 296.363 2.613 0 1 CFAF CCCOc1c(OC)c(OC)cc2oc(C)cc(=O)c12 66099163 QDVYRRBPAHEWGZ-UHFFFAOYSA-N 278.304 2.907 0 1 CFAF CC1(C)[C@H]2CC[C@@]3(C)[C@@H](C2)[C@@H](C(=O)O)CC[C@@]13O 2356675765 DHFKAKCKGXSZQB-UQXKVLDMSA-N 252.354 2.675 0 1 CFAF c1cc(C2=NCCO2)ccc1OCCCN1CCCCC1 72179508 HZEJDUONRSVLKB-UHFFFAOYSA-N 288.391 2.718 0 1 CFAF C[C@H]1Cc2ncccc2[C@@H](C[C@@H]2C[C@@H](O)CCN2C)C1 139069455 NKFHPKWLZWHZNQ-TUVASFSCSA-N 274.408 2.593 0 1 CFAF Nc1ccnc2[nH]c(-c3cc(S)ccc3F)nc12 587143084 VPZXQRRSMPSHDN-UHFFFAOYSA-N 260.297 2.635 0 1 CFAF COCc1nn(C)cc1C(=O)c1coc2ccccc12 587280452 FRWZIVZZPONYDJ-UHFFFAOYSA-N 270.288 2.544 0 1 CFAF CSCC(C)(C)c1nc2cnc(Cl)[nH]c-2n1 586968979 LOPUJMWNVGHWAS-UHFFFAOYSA-N 256.762 2.599 0 1 CFAF O=[S@@](Cc1nc2ccc(Cl)cc2[nH]1)CC1CC1 586958520 HTFVBPZZICNJCL-QGZVFWFLSA-N 268.769 2.875 0 1 CFAF CCN(CC)c1c(C)[nH]c2ccc(S(C)(=O)=O)cc12 587650552 NNSLCOCTHUQWFD-UHFFFAOYSA-N 280.393 2.726 0 1 CFAF CCOC(=O)c1c(-c2ccn(C)n2)[nH]c2cccc(F)c12 587635473 IJMNJDPQPNBWCK-UHFFFAOYSA-N 287.294 2.884 0 1 CFAF CSCC(C)(C)c1nc2ccc(CCO)cc2[nH]1 586969865 ZNNDIKWHARVRRQ-UHFFFAOYSA-N 264.394 2.738 0 1 CFAF CC[C@]1([C@H]2CCOC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587454403 TZCAPSKMESSABL-XTQGRXLLSA-N 288.343 2.628 0 1 CFAF Cc1cccc(NC(=O)Cc2nc3cc(F)cnc3[nH]2)c1C 587238903 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0 1 CFAF N[C@@]1(c2nc3ccc(O)cc3[nH]2)C[C@@H]1c1ccccc1F 587154741 GHWBUBAJXSOMAX-BZNIZROVSA-N 283.306 2.749 0 1 CFAF COc1ccc(Cc2nc3ccc(C(=N)N)cc3[nH]2)c(F)c1 587148188 DVNILFTYVAYEEZ-UHFFFAOYSA-N 298.321 2.585 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCS[C@@H]1C)O2 587413341 GYZGLVWPWJHNQS-YMTOWFKASA-N 263.362 2.807 0 1 CFAF COc1cnc(-c2nc3c(O)cccc3[nH]2)cc1Cl 587065298 XLYTUKPEIVWFEN-UHFFFAOYSA-N 275.695 2.993 0 1 CFAF O=C(/C=C/c1nc2cnccc2[nH]1)Nc1ccc(F)cc1 587166609 FFGJMARHBJRPJE-AATRIKPKSA-N 282.278 2.749 0 1 CFAF CCCCCCOc1nccnc1[C@@H]1CN2CC[C@H]1C2 13743110 NFWZXXINCSENSK-UONOGXRCSA-N 275.396 2.855 0 1 CFAF COc1cc2oc(=O)ccc2cc1CCC(C)(C)O 14455177 YCIWLTLAWPAWSP-UHFFFAOYSA-N 262.305 2.505 0 1 CFAF endogenous,in-man COc1cc2c(cc1O)O[C@@H]1c3ccc(O)cc3OC[C@@H]21 14820540 NYGZYUAVZPIKBZ-MEDUHNTESA-N 286.283 2.716 0 1 CFAF CN1[C@H]2CCC[C@H]1[C@H](OC(=O)C1CCCCC1)C2 169370630 OALBGXZFCMPEGE-MELADBBJSA-N 251.370 2.735 0 1 CFAF O=C1Cc2ccc(O)cc2C=NC=Cc2cc(O)ccc21 256439226 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266.381 2.739 0 1 CFAF CC[C@@H]1C=C(C(=O)NCC(C)C)[C@H]2CCC(=O)[C@@H]2C1 2356827775 IPJCJXBAPHPSRU-RWMBFGLXSA-N 263.381 2.710 0 1 CFAF Cc1nc2ccccc2n2c(-c3ccco3)nnc12 73156776 QSGSTVOTDFPSBK-UHFFFAOYSA-N 250.261 2.846 0 1 CFAF Oc1cc(NCCc2cccnc2)cc2cccnc12 36380965 NQLZJPWTHDMVNY-UHFFFAOYSA-N 265.316 2.990 0 3 CFAF CNC(=O)[C@@H](Sc1ccc(Cl)cc1)c1csnn1 40753791 IVYMRUUKILTRQU-JTQLQIEISA-N 299.808 2.771 0 1 CFAF O=S1(=O)C=C(c2ccccc2)Nc2ccccc21 40935835 NINBGMPLKBORFM-UHFFFAOYSA-N 257.314 2.884 0 1 CFAF NC(=S)N1N=C(c2ccco2)C[C@H]1c1ccc(F)cc1 49792391 BFADHOWLTGTXAP-LBPRGKRZSA-N 289.335 2.813 0 1 CFAF COC(=O)[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccs1 253861117 ZLWKHMNSEAGVBX-CPYHTKCJSA-N 289.400 2.787 0 1 CFAF CN1CCc2cc(N)ccc2[C@@H](c2ccccc2)C1 299828078 GZCUMTDIYBMHMP-QGZVFWFLSA-N 252.361 2.889 0 1 CFAF CC(=O)c1cc(-c2cccc(C(N)=O)c2)c2ccccn12 653687571 KAOMCMKLLFPALN-UHFFFAOYSA-N 278.311 2.908 0 1 CFAF COc1cc2c3c(c1)O[C@H](CCCSC)[C@@H](C2)C3=O 587451624 KMIZUJTXWIOHBI-VXGBXAGGSA-N 278.373 2.954 0 1 CFAF Cc1cc2[nH]c(-c3cc(C(F)(F)F)nn3C)nc2c(C)n1 587117313 IJAHSZCGWXYGCI-UHFFFAOYSA-N 295.268 2.994 0 1 CFAF Cc1ccc(CCc2cnc3nc(O)nc(O)c3c2)cc1C 587562045 NZXBIQFRBUKHMI-UHFFFAOYSA-N 295.342 2.838 0 1 CFAF Cc1ccc2c(c1)C(=O)N1CCC(Br)=C1N2 957560883 BRSSNDMPEDWEOS-UHFFFAOYSA-N 279.137 2.830 0 1 CFAF COc1ccc2c(c1)[C@@H]1C[C@H](OC)C=C3CCN(CC2)[C@@H]31 33830261 UYXQAPQPXZLQHR-NJAFHUGGSA-N 285.387 2.754 0 1 CFAF O=Cc1ccc(Oc2no[n+]([O-])c2-c2ccccc2)cc1 1772614041 XGUOERNZDANEOA-UHFFFAOYSA-N 282.255 2.580 0 1 CFAF COc1ccccc1-c1cc(=O)c2cc3c(cc2[nH]1)OCO3 5503311 FMFZHVAQMJFXDO-UHFFFAOYSA-N 295.294 2.932 0 1 CFAF COc1cc(OC)c2c(O)c3c(cc2c1)[C@H](O)[C@H](C)OC3 13463050 KXVHFZAGCYTXEZ-VXJOIVPMSA-N 290.315 2.515 0 1 CFAF CCCOC(=O)c1[nH]c(C=O)c(C(=O)OC(C)(C)C)c1C 13533455 YNBNOOKOQSQIRG-UHFFFAOYSA-N 295.335 2.658 0 1 CFAF CCC[C@H](C(=O)c1ccc(CO)cc1)N1CCCC1 13682069 FDCLNKXJEZCPEW-OAHLLOKOSA-N 261.365 2.626 0 1 CFAF CN[C@@H](Cc1ccc2c(c1)OCO2)c1ccc(OC)cc1 169326690 MMNFTQZBSRESAJ-HNNXBMFYSA-N 285.343 2.927 0 1 CFAF CCNC(=O)c1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1 1857560837 ISXGFKDTLWCSRS-UHFFFAOYSA-N 292.338 2.945 0 1 CFAF CCOC(=O)[C@@]1(c2ccccc2)C[C@H]1CN1CCCC1 2021361 OLGUEQZPXJUZPQ-DOTOQJQBSA-N 273.376 2.603 0 1 CFAF Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)cc1 4008971 KUGPCSPNUIISTD-NVNVUAJTSA-N 267.328 2.697 0 1 CFAF Cc1cc(NCCc2ccc(Cl)cc2)c2nncn2n1 4937198 ANMSXJNKBNFCTH-UHFFFAOYSA-N 287.754 2.741 0 1 CFAF in-vitro Cc1cc(NCc2ccccc2Cl)n2cnnc2n1 6742911 ZINYMJNQFUBPAY-UHFFFAOYSA-N 273.727 2.698 0 1 CFAF Cc1cc(N2C(=O)[C@@H]3CCCN3[C@H]2c2cccs2)no1 8548281 ASOCAEHGWMUEFW-GXFFZTMASA-N 289.360 2.554 0 1 CFAF C[C@H]1[C@@H](O)[C@@H](C)[C@@H](C)O[C@@]12[C@@H](C)[C@@H]1OC[C@]2(C)C[C@H]1C 2356523196 JVXCLXYHRVUZGU-DLPHHUQDSA-N 282.424 2.858 0 1 CFAF COC(=O)C1=C2[C@](C)(C(N)=O)CCC[C@]2(C)c2ccccc21 2356723495 KYJCGCPXRNIZAE-QZTJIDSGSA-N 299.370 2.560 0 1 CFAF COC(=O)[C@@H]1C=C[C@H](C)[C@@H](CCOc2ccccc2)O1 66139310 SJURJHVQPGUJTI-CFVMTHIKSA-N 276.332 2.588 0 1 CFAF CC(=O)[C@@H]1O[C@@H](C)[C@@H](C)c2c(C)c(O)cc(O)c21 2356807537 XVOPIVORFQRIKH-MIBRVMSUSA-N 250.294 2.559 0 1 CFAF COC(=O)CC(=O)c1coc2ccc(Cl)cc12 75100460 KBXDSKANXSYYDR-UHFFFAOYSA-N 252.653 2.832 0 1 CFAF CN1C(=O)[C@@H](c2ccccc2)C[C@H](c2ccccc2)C1=O 73198576 CVSJWIWWDODUBV-HZPDHXFCSA-N 279.339 2.943 0 1 CFAF C[Si](C)(C)C[C@@](O)(Cn1ccnn1)c1ccc(F)cc1 195955546 KFCVKOAWTUJWOT-AWEZNQCLSA-N 293.418 2.643 0 1 CFAF Cc1cc(=O)oc2c(C)c(O[C@H]3CCCC3=O)ccc12 45495796 UULMOUNYGUBRNG-AWEZNQCLSA-N 272.300 2.910 0 1 CFAF Cc1nc2[nH]ccc2c(=O)n1-c1ccc(Cl)cc1 196441594 FPVXYCYSDCNXKL-UHFFFAOYSA-N 259.696 2.676 0 1 CFAF C[C@@H](c1cc2c3c(cccc3n1)CC2)n1cncn1 587211316 PBDCBMZWTRBXHU-JTQLQIEISA-N 250.305 2.534 0 1 CFAF COC(=O)c1ccc2nc(-c3ccc(F)c(F)c3)[nH]c2n1 587145242 JJRFXGOYCRUNSG-UHFFFAOYSA-N 289.241 2.690 0 1 CFAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2c(N)ncnc2[nH]1 587952477 RTSCSRNRHDCACV-AXFHLTTASA-N 289.383 2.982 0 1 CFAF Cc1c(F)cc(-c2nc3cc[nH]c(=N)c3[nH]2)cc1F 587133320 SPLVJFAOWQEJAC-UHFFFAOYSA-N 260.247 2.624 0 1 CFAF C[C@@H]1Cc2cc3c(O)nc(O)nc3nc2-c2ccccc21 587561787 LSYOHKIBWXRGDQ-MRVPVSSYSA-N 279.299 2.763 0 1 CFAF Oc1nc(O)c2ccc(C34CCC(CC3)CC4)nc2n1 587561482 IPJJZYRVQFOBII-UHFFFAOYSA-N 271.320 2.658 0 1 CFAF CCCc1c(O)ccc2c1O[C@@](C)(c1ncc[nH]1)CC2=O 587481557 GOWGTYCSJIOYFK-MRXNPFEDSA-N 286.331 2.948 0 1 CFAF CN(C)Cc1ccn2c1nc(O)c1c(Cl)cccc12 584905199 FSTYDISPXAAJMK-UHFFFAOYSA-N 275.739 2.908 0 1 CFAF in-vitro CC1(c2cc3c4c(cccc4n2)CC3)COCOC1 587215990 QLNOZULBEMUWSK-UHFFFAOYSA-N 255.317 2.595 0 1 CFAF CC(=O)C[C@]1(C(F)F)NCCc2c1sc(C)c2C 963029223 RFFGKLGVWOCHJR-ZDUSSCGKSA-N 273.348 2.950 0 1 CFAF O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccc(F)cc1 13154746 HARSRNJLYPAIMF-DHPDLVEQSA-N 271.291 2.527 0 1 CFAF O=c1cc(-c2ccc(O)cc2)oc2cc3c(c(O)c12)OCO3 13334825 RNBICTMAHCPSHX-UHFFFAOYSA-N 298.250 2.600 0 1 CFAF biogenic,in-vitro Cc1cc2c(c3c1O[C@@H](O)[C@@H]3O)-c1ccc(O)c(C)c1CC2 14723408 RDLDQEWYXLYSNL-SJLPKXTDSA-N 298.338 2.519 0 1 CFAF COc1ccc2c(c1)OC[C@H](c1ccc(O)cc1O)C2 14811596 IAYVKGXLPAEGDI-LLVKDONJSA-N 272.300 2.825 0 1 CFAF C[C@H]1CCC[C@@H](NC(=O)CSc2ncccn2)[C@@H]1C 6913613 PNGALHZFPVAHPY-QJPTWQEYSA-N 279.409 2.510 0 1 CFAF CO[C@@H](C)CN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@H]2C 100796790 OYOSCGNGSBDVQJ-DECQCQTCSA-N 289.419 2.951 0 1 CFAF CCc1c(C)nc2cc(-c3ccc(OC)cc3)[nH]n2c1=O 104202636 ZICJYVNCOJXFQR-UHFFFAOYSA-N 283.331 2.569 0 3 CFAF N#Cc1cn(-c2ccc(C(=O)O)c(N)c2)c2ccccc12 113276725 UQTDKVGDLFWFJK-UHFFFAOYSA-N 277.283 2.783 0 1 CFAF COC(=O)C(C)=CC[C@@]12CCN(C)[C@H]1Nc1ccccc12 2356572636 IENBNBOKQXSCQE-SJORKVTESA-N 286.375 2.521 0 1 CFAF Cc1cc(F)ccc1-c1cc(C(=O)NC(C)C)n[nH]1 61905858 PJSDIONDIWXRBT-UHFFFAOYSA-N 261.300 2.662 0 3 CFAF CCOP(=O)(OCC)[C@@H]1CN1Cc1ccco1 71295033 KTPPXAYMISNBOE-JHJMLUEUSA-N 259.242 2.687 0 1 CFAF COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(C)c(F)c1)N2 36270808 QDZIBQWKRRRXAL-RJZRQDKASA-N 277.339 2.531 0 1 CFAF Cc1cccc(OCCCN2CCC(O)CC2)c1C 32113159 CMCKUIIPPDVUNS-UHFFFAOYSA-N 263.381 2.529 0 1 CFAF CCOC(=O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2 39202946 DSGNPWKRHALERN-UHFFFAOYSA-N 296.322 2.916 0 1 CFAF CCOCCCC[C@@]1(O)C2=NCCCN2c2ccccc21 34243245 FASZWEOCNIVHLU-KRWDZBQOSA-N 288.391 2.703 0 1 CFAF c1cc2c(OCC3CCNCC3)nc3ccsc3n2c1 40896506 FDBAIZPEAYLIAH-UHFFFAOYSA-N 287.388 2.927 0 1 CFAF c1ccc(-c2nnc(CN3CCc4ccsc4C3)o2)nc1 95601071 WRVKONROBWUHJH-UHFFFAOYSA-N 298.371 2.751 0 1 CFAF CC(C)(C)C1=NN(C(N)=O)[C@H](c2ccc3c(c2)OCO3)C1 95552532 LBDCUVFYLKEGQD-JTQLQIEISA-N 289.335 2.643 0 1 CFAF Nc1nnc(-c2ccccc2)n1Cc1ccc(F)cc1 299862510 JTUSDYFYYLLAOA-UHFFFAOYSA-N 268.295 2.715 0 1 CFAF C[C@@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O 299811232 SXIPXKUAHBNRLJ-DVFWUTNRSA-N 291.435 2.869 0 1 CFAF CN(C)CCCOc1nc(-c2ccccc2)nc2c1CCC2 653735420 BBANKPDMSSFEGJ-UHFFFAOYSA-N 297.402 2.963 0 1 CFAF CCOC(=O)C1=C(C)Nc2nccn2[C@@H]1c1cccs1 653745105 BQKSFNGEGLUOBZ-GFCCVEGCSA-N 289.360 2.797 0 1 CFAF Nc1cnc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)nc1 587252838 PKZHDIUADBOWOR-UHFFFAOYSA-N 280.118 2.909 0 1 CFAF CCc1ccccc1NC(=O)c1nc2c(OC)nccc2[nH]1 587241051 PIRVJBGXYGSZNG-UHFFFAOYSA-N 296.330 2.781 0 1 CFAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2c(N)ncnc2[nH]1 587952480 RTSCSRNRHDCACV-VWYCJHECSA-N 289.383 2.982 0 1 CFAF CCOc1ccccc1OCc1nc2cc(N)c(N)cc2[nH]1 587780354 QQMMRRGLWUCSBG-UHFFFAOYSA-N 298.346 2.705 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1O)O2 587403345 GWZKPCPBALVGII-OAHLLOKOSA-N 269.300 2.989 0 1 CFAF CC1(C)NC(=O)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587528288 YPHKMSFKNUFJKY-SFHVURJKSA-N 299.370 2.568 0 1 CFAF NC(=O)c1ccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2c1 587090766 XIQIUEOVQOVFKG-VIFPVBQESA-N 295.623 2.585 0 1 CFAF COc1cnc(-c2nc3ccnc(C)c3[nH]2)cc1Cl 587064245 GHRNWTPGVHJXPT-UHFFFAOYSA-N 274.711 2.990 0 1 CFAF N=c1cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c[nH]1 586890351 OOUQIGGQZJOKJG-YPIXOSSWSA-N 268.364 2.838 0 1 CFAF O=C(O)c1ccc(-n2ccc(-c3ccccc3)n2)nc1 957993494 ZVPBAUYCAAKSHJ-UHFFFAOYSA-N 265.272 2.633 0 1 CFAF Cc1cc2c(cc1F)[C@](C)(c1ccc(N)nc1)NCC2 962089374 GPZBLMHMCLIUHG-INIZCTEOSA-N 271.339 2.521 0 1 CFAF Cc1cc2c(cc1O)[C@@H](C1CC3(CC3)C1)N[C@H](C(=O)O)C2 963487078 BKMONDARLNEIJP-DZGCQCFKSA-N 287.359 2.531 0 1 CFAF COc1ccc(-c2[nH]nc3c2C(=O)c2cccnc2-3)cc1 13492123 HMLRRXMYIUHWGM-UHFFFAOYSA-N 277.283 2.692 0 1 CFAF CC(=O)NCCc1cccc2ccc3c(c12)CCCO3 20590 NMWLOKCBICPAGP-UHFFFAOYSA-N 269.344 2.843 0 1 CFAF C[C@@H]1NC(=O)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 3894961 RVDBJQXNFKPNRX-OWQGQXMQSA-N 280.371 2.967 0 1 CFAF CCNCCCCN1N=C2c3ccccc3CC[C@@H]2CC1=O 103301579 MSAIEYVQFARRFJ-OAHLLOKOSA-N 299.418 2.575 0 1 CFAF CC1(C)Nc2ccc(Cl)cc2[C@@H](N2CCCC2=O)[C@H]1O 26970304 SFGUVDVMFUAYND-ZIAGYGMSSA-N 294.782 2.569 0 1 CFAF COC(C)(C)Cc1scnc1C(=O)Nc1nccs1 28459905 QCQXVRNQPIAZBQ-UHFFFAOYSA-N 297.405 2.819 0 1 CFAF CC1=CC[C@@]2(C[C@@H]1O)[C@H](C(C)C)CC[C@H]2C(=O)O 2356723137 ZIOMQRRFPWLXDN-PWNZVWSESA-N 252.354 2.841 0 1 CFAF C[C@]1(CO)[C@@H]2C[C@@H]3CN(C(=O)c4ccccc4)[C@@H](C2)[C@]31C 195497877 CTNCSHKEEQKIDX-YONAWACDSA-N 285.387 2.556 0 1 CFAF Nc1ccnc(N2CCC3(CC2)OCc2ccccc23)c1 40953508 MGQVSVUXSCNPLN-UHFFFAOYSA-N 281.359 2.690 0 1 CFAF Oc1ccc2[nH]cc(CCNc3cccnc3)c2c1 198453647 LHSDACWDBHQJHJ-UHFFFAOYSA-N 253.305 2.923 0 1 CFAF CCC[C@H](C)NC(=O)c1nc(-c2ccccc2)cnc1N 473096859 AWACAZHHYUFNHD-NSHDSACASA-N 284.363 2.644 0 1 CFAF COc1ccc2nc(C[C@@H]3CCC(=O)[C@H]3C)[nH]c2c1 587963725 REXYMGWDVBYDBG-UWVGGRQHSA-N 258.321 2.729 0 1 CFAF N=c1cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c[nH]1 586889285 MDOCZWHLGXZHGG-PXAZEXFGSA-N 276.343 2.742 0 1 CFAF OCc1ccc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2c1 586907942 KZVJHXCBMKJBMX-UHFFFAOYSA-N 294.310 2.694 0 1 CFAF COc1cc2nc([C@H]3CC[C@@H](O)CC3)[nH]c2cc1F 586900031 ZUCXDAFATNRUOF-DTORHVGOSA-N 264.300 2.729 0 1 CFAF C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(F)cc(F)c2[nH]1 587960662 AADWHNIDBSQYIM-SFYZADRCSA-N 264.275 2.999 0 1 CFAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3ccncc3[nH]2)cc1 587785930 PSDNFRJBYZCOOG-CHWSQXEVSA-N 293.326 2.901 0 1 CFAF COc1ccc2c(c1)C[C@H](c1nc3cncnc3[nH]1)CC2 587947229 UBPDDGFHNNOHLU-LLVKDONJSA-N 280.331 2.634 0 1 CFAF CCc1[nH]ncc1-c1cc2c(s1)C(=O)NC(C)(C)N2C 114221764 PWTPFCZIUPMVTG-UHFFFAOYSA-N 290.392 2.616 0 1 CFAF Cc1[nH]nc(C2CC2)c1-c1ccc2c(N)noc2c1 1772623620 KMVFQSYAODIAAB-UHFFFAOYSA-N 254.293 2.986 0 1 CFAF O=C([C@H]1C[C@@H]2C=C[C@H]1C2)N1CCN(c2ccccc2)CC1 5938992 XFIHTPPEWXZMBK-VYDXJSESSA-N 282.387 2.547 0 1 CFAF O=c1[nH]c(Cc2ccncc2)cc(O)c1-c1ccccc1 209509482 PZORXQFYQRMLDV-UHFFFAOYSA-N 278.311 2.733 0 1 CFAF Cn1cnc2cc(OC(=O)c3ccccc3)ccc21 3171899 WBFBBKXEMKWUEU-UHFFFAOYSA-N 252.273 2.793 0 3 CFAF COC(=O)[P@](=O)(O)Oc1ccc2c(c1)CCC2 3653690 QPMGKEAXZZUEFI-UHFFFAOYSA-N 256.194 2.506 0 1 CFAF Cc1cc(C)nc(NC(=S)NCCc2ccccc2)n1 8336632 BWCOAQGISLSWKM-UHFFFAOYSA-N 286.404 2.623 0 1 CFAF COc1ccc(C2=NC(C)(C)C(C)(C)N2[O])c(OC)c1 101432069 ISWGHAOMOBWMDC-UHFFFAOYSA-N 277.344 2.669 0 1 CFAF C/C=C1\[C@H]2C=C(C(F)(F)F)C[C@]1(N)c1ccc(O)nc1C2 29561440 WPUFLGDKDRHMHB-PBBVWFLZSA-N 296.292 2.952 0 1 CFAF CCCC=CC=CC=C(C)[C@@H]1OC[C@H](C)[C@@H](O)[C@@H]1O 2356624899 SSDFRIQMXWLXBU-FZKCQIBNSA-N 266.381 2.602 0 1 CFAF CC=C(C)C(=O)Nc1c2sscc-2n(C)c1=O 2356668433 PORQOSQSJUEYRC-UHFFFAOYSA-N 268.363 2.518 0 1 CFAF CC1(C)C[C@@H]2[C@H](O)C(C(=O)O)=C3CC[C@]3(C)[C@@H]2C1 2356812698 BLHWUDYFVHCFRU-HVDUPXKSSA-N 250.338 2.595 0 1 CFAF CCCCNc1ccc(C(=O)OCCN(C)C)cc1C 73404840 RBMGQPXZRYKFBY-UHFFFAOYSA-N 278.396 2.925 0 1 CFAF O=C(c1ccccc1)N1CCCC[C@H]1CN1CCCC1 32229060 LTUBYWMAICEYCD-INIZCTEOSA-N 272.392 2.777 0 1 CFAF COc1cc(O)c(C(=O)c2cccc(F)c2)c(OC)c1 49087865 HZRJQDXMFBFQLM-UHFFFAOYSA-N 276.263 2.780 0 1 CFAF COc1ccc2c3c(oc2c1)C(=O)Nc1cc(C)cc[n+]1C3 45336776 HAOASBYBGCGIFJ-UHFFFAOYSA-O 295.318 2.651 0 1 CFAF CN1C(=N)N[C@](c2ccccc2)(c2ccc(Cl)cc2)C1=O 45245812 UKYITZHCXATSAD-MRXNPFEDSA-N 299.761 2.580 0 1 CFAF C[C@H]1CCC(=O)CCCCc2cc(O)cc(O)c2C(=O)O1 40763265 OZXRHWAXCRAAFL-JTQLQIEISA-N 292.331 2.719 0 1 CFAF O=c1c2ccccc2[nH]c(=S)n1-c1ccc2nc[nH]c2c1 138433920 FTKVZMFCGKCXLH-UHFFFAOYSA-N 294.339 2.925 0 1 CFAF C/C1=C/C[C@H](O)/C(C)=C/[C@H]2OC(=O)[C@H](C)[C@@H]2CC1 238787598 RLHPCSSGTQNSJN-UXMPYPBZSA-N 250.338 2.602 0 1 CFAF NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccccc1 140899563 GRFHEJWFORZSDZ-QGZVFWFLSA-N 291.354 2.916 0 1 CFAF O=c1nc(-c2cccs2)[nH]c2cn(-c3ccccc3)nc12 653767637 NXHVWKIBBMWVKA-UHFFFAOYSA-N 294.339 2.837 0 1 CFAF O=c1c2cc(Cl)ccc2cnn1CC(F)(F)F 587652004 SOXLZWWZKXOBOF-UHFFFAOYSA-N 262.618 2.612 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnoc1C)O2 587395618 SOKCAOZCOOQVAU-OAHLLOKOSA-N 272.304 2.754 0 1 CFAF Nc1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc1F 587139268 FVGGCTHQZWTUAH-UHFFFAOYSA-N 297.215 2.712 0 1 CFAF Fc1cncc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 587176703 CZHVGILPVJFWJL-UHFFFAOYSA-N 253.240 2.640 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H]1CCCN(C)C1)O2 587395202 LSWRWYRRWANDSX-PXAZEXFGSA-N 288.391 2.643 0 1 CFAF O[C@@H](c1nc2cnc3ccccc3c2[nH]1)C1CCOCC1 586916921 PJVKUXWLULQTTG-OAHLLOKOSA-N 283.331 2.571 0 1 CFAF Oc1coc2c(F)c(I)ccc12 957657435 CBGDQWXIAOIJIK-UHFFFAOYSA-N 278.020 2.882 0 1 CFAF COc1cc(N)c2oc(-c3cccc(N)c3)cc(=O)c2c1 13738770 GIVJZBUZAPENGW-UHFFFAOYSA-N 282.299 2.633 0 1 CFAF C1=N[C@@H]2NCCc3cc4c(c(c32)-c2ccccc21)OCO4 14713297 FVJYZKQVERELJV-KRWDZBQOSA-N 278.311 2.659 0 1 CFAF Fc1ncccc1Nc1ccc([C@H]2CNCCO2)cc1 150009184 NDSTZLQOMBGRLR-CQSZACIVSA-N 273.311 2.625 0 1 CFAF Cn1cncc1-c1ccnc2c1cnn2-c1ccc(F)cc1 165237498 JFEMPGINTWTZJM-UHFFFAOYSA-N 293.305 2.960 0 1 CFAF c1ccc(-n2cc(C3=NCCN3)c(-c3cccs3)n2)cc1 1857579599 ZXLJJGAXUHCGSG-UHFFFAOYSA-N 294.383 2.951 0 1 CFAF OCCn1nc(-c2ccccc2)cc1-c1ccccc1O 1857643507 VFLVWOPFPJYBKC-UHFFFAOYSA-N 280.327 2.915 0 1 CFAF CC[C@H](N)[C@@H]1C[C@@]1(C(=O)N(CC)CC)c1ccccc1 13529958 LFIMCYFWWBLEGS-YQQAZPJKSA-N 274.408 2.550 0 1 CFAF CC1(C)CCCC[C@@H]1NC(=S)Nc1ccc(N)nc1 26503901 SYKTZCRQOWREIP-NSHDSACASA-N 278.425 2.919 0 1 CFAF CC(C)(C)c1[nH]n(-c2ccccc2)c2nc(=O)c(C=O)cc1-2 103741317 FPQXIRNCTIFNDT-UHFFFAOYSA-N 295.342 2.775 0 3 CFAF CC(=C[C@@H]1CC2=C(CO)CC[C@@H]2[C@@H](C)C1)C(=O)O 2356402061 XMIPXRBROKIJSG-UFGOTCBOSA-N 250.338 2.762 0 1 CFAF CC1(C)Oc2ccc(Cl)cc2[C@H](N2CCCC2=O)[C@H]1O 26970280 DKBATQOPZPZAEX-UONOGXRCSA-N 295.766 2.535 0 1 CFAF NN(CCc1ccccc1)c1nc2ccccc2o1 29465676 PWUHAZZFIRZOPV-UHFFFAOYSA-N 253.305 2.751 0 1 CFAF C[C@@H]1CCC(=O)[C@H]2Cc3occ(C(=O)O)c3C[C@]21C 2356727601 QACYOCDXHAPSDZ-UQHVFFSPSA-N 262.305 2.698 0 1 CFAF O=C(CCN1CCCC1)Nc1nsc2ccccc12 40918138 BADAARQYZBZPLC-UHFFFAOYSA-N 275.377 2.721 0 1 CFAF Nc1nc2c(c(N3CCCCC3)n1)CCc1ccccc1-2 82157970 WOTJWFYAOAXQQZ-UHFFFAOYSA-N 280.375 2.815 0 1 CFAF C[C@H]1COC(c2cccc(OC(=O)NC3CCCC3)c2)=N1 45291194 ZUEJGUJAARQGPW-NSHDSACASA-N 288.347 2.883 0 1 CFAF CCCCCC[C@H]1OC(=O)C(=C(C)C)[C@@H]1C(=O)O 40917284 YRRSLYDRKSMUFU-ZYHUDNBSSA-N 254.326 2.919 0 1 CFAF CC[C@@H]1[C@@H]2CCN(C)[C@H]1[C@H]1c3ccccc3N[C@@H]1[C@@H]2CO 238750730 PDVIEYDJFPUAAG-FYWHHKFKSA-N 286.419 2.533 0 1 CFAF c1ccc2c(c1)CN(CCN1COc3ccccc3C1)CO2 84466282 XDCBQTOCSRTEDY-UHFFFAOYSA-N 296.370 2.691 0 1 CFAF COc1ccc(Nc2nc(C)nc3c2nc(C)n3C)cc1 299829635 UUSMGOKQIBTUPO-UHFFFAOYSA-N 283.335 2.732 0 1 CFAF 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0 1 CFAF CCCCC[C@H](O)C1=C/C(=C/Br)OC1=O 103299611 UUXGVGDEZKRHKB-DMEOUFDRSA-N 275.142 2.647 0 1 CFAF CCc1nnc2c(N(CC)CC)nc3ccc(F)cc3n12 26296914 QGXJCBFFNSYVKC-UHFFFAOYSA-N 287.342 2.825 0 1 CFAF Oc1ccc(-c2cc(/C=C3\CN4CC[C@@H]3C4)on2)cc1 26669204 PHMKCTAFYAPWGP-GKWYLQRDSA-N 268.316 2.766 0 1 CFAF CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)CCC(=O)O 60037131 BLILOGGUTRWFNI-SDDRHHMPSA-N 256.342 2.855 0 1 CFAF in-man CCOc1ccc(-c2nc(Cn3cnc(C=O)c3)co2)cc1 72142305 CJOQADPGNVWRBW-UHFFFAOYSA-N 297.314 2.798 0 1 CFAF Cc1nn(-c2ccccc2)c2[nH]c(=O)c3c(c12)CSC3 40975923 BLQDESSZWIYFSS-UHFFFAOYSA-N 283.356 2.769 0 1 CFAF C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1OCC2=O 40475222 FANDDLFIYCQQPS-OTRWWLKZSA-N 272.344 2.806 0 1 CFAF COc1cc2c(cc1C)[C@@H](C(C)C)C[C@H](O)[C@]2(C)O 95562240 SEGVFKZPKBQZRQ-XFBWCDHKSA-N 264.365 2.715 0 1 CFAF COc1nccc2nc(COc3ccc(F)cc3)[nH]c12 587168767 LNWAMMOATFJTNY-UHFFFAOYSA-N 273.267 2.685 0 1 CFAF C[C@@]1(c2nc3cccnc3[nH]2)C=C(c2ccccc2F)NO1 587155213 INKOWOQEEUYVNK-INIZCTEOSA-N 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288.416 2.784 0 1 CFAF CCCC(=O)c1c(O)cc(O)c(C(=O)CCC)c1O 13650346 VSWOWTGYBBDKCK-UHFFFAOYSA-N 266.293 2.769 0 1 CFAF CCCCOC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1 27555780 WDSGTSSHRHFHSZ-CQSZACIVSA-N 272.348 2.526 0 1 CFAF CNC(=O)N(O)c1ccc2c(c1)Cc1ccccc1-2 27983216 RZLRYTPHYMZXOL-UHFFFAOYSA-N 254.289 2.793 0 1 CFAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(C)cc1)N2C 100812565 MMKZDDDDODERSJ-VGWMRTNUSA-N 273.376 2.734 0 1 CFAF CC(C)NC[C@@H](O)[C@@H](C)Oc1ccc2ccccc2c1 28229028 ZBHSIFRWYRQAAI-CXAGYDPISA-N 273.376 2.966 0 1 CFAF C[C@H](C(=O)O)[C@@H]1CCC[C@](C)(O)[C@@H]2CC[C@@H](C)[C@@H]12 2356762198 HQEHOUBUOJUOIA-CSPKTOEMSA-N 254.370 2.921 0 1 CFAF COC1=C2C[C@@H](C(C)(C)O)O[C]2N(C)c2ccccc21 2356839900 OGSPZAPKSNPWAM-ZDUSSCGKSA-N 274.340 2.543 0 1 CFAF COC(=O)/C1=C\C2CC(/C=C(\c3ccccc3)C(=O)O1)C2 31820713 BFSPTGLBIIGTKJ-AOEKMSOUSA-N 284.311 2.710 0 1 CFAF O=C(CCc1ccc(F)cc1)C(=O)NCCc1ccccc1 1911579239 PPIIDAXUBPUPCU-UHFFFAOYSA-N 299.345 2.686 0 1 CFAF Fc1ccc([C@H]2Cc3nccn3C2)c(-n2cccn2)c1 40395350 PUGMNVJZHKJJKF-NSHDSACASA-N 268.295 2.548 0 1 CFAF CN1CC[C@@]23c4c5cccc4O[C@@H]2CCC[C@@H]3[C@@H]1C5 40719180 HWXKCCDLLDWFIH-CXUGXGMPSA-N 255.361 2.746 0 1 CFAF Fc1ccc(-n2cccn2)c([C@@H]2Cc3nccn3C2)c1 40379347 JODPZPWJZRBJSA-LLVKDONJSA-N 268.295 2.548 0 1 CFAF O=C(Nc1nc(-c2cnccn2)cs1)c1ccccc1 96937853 MFPPVWIWRALJOR-UHFFFAOYSA-N 282.328 2.852 0 1 CFAF Cn1cc(-c2noc([C@@H]3CN4CC[C@H]3C4)n2)c2ccccc21 253633115 DTXGABJYFGPQQR-WCQYABFASA-N 294.358 2.647 0 1 CFAF O=C(Cc1ccccc1)NCCc1nc2cccc(F)c2[nH]1 587227892 APZQHBNFHNPPMO-UHFFFAOYSA-N 297.333 2.603 0 1 CFAF COc1cncc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c12 587094011 ZBCMDCUSTHWCOD-WDSKDSINSA-N 257.215 2.632 0 1 CFAF CCNC(=O)CCc1nc2cc(Cl)c(F)c(F)c2[nH]1 587230698 LUXCBFIZSRIKIZ-UHFFFAOYSA-N 287.697 2.563 0 1 CFAF COC(=O)c1ccc2nc(C[C@@H]3CCC(=O)[C@@H]3C)[nH]c2c1 587963843 UJUPCEPYCSNGNQ-ZJUUUORDSA-N 286.331 2.507 0 1 CFAF O=C(/C=C\c1nc2nc(Cl)c[nH]c-2n1)Nc1ccccc1 587243178 COPXVDDPIHFOIP-SREVYHEPSA-N 299.721 2.610 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1N[C@@H]1c1ccccc1)O2 587400763 ODSFAORHVSZTQK-BRWVUGGUSA-N 294.354 2.624 0 1 CFAF COc1cncc(N)c1-c1nc2c(C)c(C)ccc2[nH]1 587254069 KSFGUSORQXDTLE-UHFFFAOYSA-N 268.320 2.833 0 1 CFAF COC(=O)[C@@H](C)C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397828 BSZKWDFAGXZQGH-QFYYESIMSA-N 291.347 2.500 0 1 CFAF COc1cc(F)c(C(=O)c2ccnc(Cl)n2)c(F)c1 1772654662 HBBKKKCCZIKZOV-UHFFFAOYSA-N 284.649 2.648 0 1 CFAF c1ccc2c3c([nH]c2c1)C[C@H](NC1CCOCC1)CC3 1772580451 IOXWMNDSTJSFPB-CYBMUJFWSA-N 270.376 2.794 0 1 CFAF Cc1nc2c(sc3nc4c(cc32)CCC4)c(=O)o1 13234518 VFRDLSPNFPDTPX-UHFFFAOYSA-N 258.302 2.595 0 1 CFAF CC(=O)c1nc(C(=O)O)cc2c1[nH]c1ccccc12 13305165 RMLMLEMGHAUXDM-UHFFFAOYSA-N 254.245 2.617 0 1 CFAF Nc1nccc(-c2nccc3c2[nH]c2ccccc23)n1 13365915 IUDMZJRPDRCJEB-UHFFFAOYSA-N 261.288 2.755 0 1 CFAF in-vitro O=S(Cc1ccc(O)cc1)Cc1ccc(O)cc1 13378059 QFXUNMDJQJDSDP-UHFFFAOYSA-N 262.330 2.547 0 1 CFAF c1ccc2c3c([nH]c2c1)[C@@H](CCN1CCCC1)NCC3 14720503 OWEFOLNDRZKRAH-MRXNPFEDSA-N 269.392 2.841 0 1 CFAF NCCC[C@@H](Cc1cn(C2CCCCCC2)cn1)C(=O)O 169698758 MHKMIQNCAHVRCX-ZDUSSCGKSA-N 293.411 2.761 0 1 CFAF CN1[C@@H]2CCC[C@@H]1CC(OC(=O)c1cccc3[nH]cnc13)C2 385648 SBVUOEWNVMMLHY-VXGBXAGGSA-N 299.374 2.735 0 1 CFAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccccc1 2356437280 MYGQTPNBZLTNHQ-VNQPRFMTSA-N 272.392 2.537 0 1 CFAF C[C@H]1Cc2ccccc2N1C(=O)NC1C[C@@H]2CC[C@@H](C1)N2C 100809232 ADNOGBBEPMOQOD-RCBQFDQVSA-N 299.418 2.772 0 1 CFAF Cc1cc(C)nc(-n2nc(C)cc2C(F)(F)F)n1 103197988 KXWKOWCBYOANJM-UHFFFAOYSA-N 256.231 2.606 0 1 CFAF C[C@@H](c1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@H]2C1=O 28711740 RWIZCLOKALYHLB-GZFHQYITSA-N 281.355 2.945 0 1 CFAF N=c1sc2c(n1CC(=O)c1cccc(F)c1)CCCC2 28527749 YMLVKSGEUCURAY-UHFFFAOYSA-N 290.363 2.930 0 1 CFAF CNC(=S)N1C[C@H](C)C(c2ccc(Cl)cc2)=N1 64585653 BFQBPNNOKVYJBD-QMMMGPOBSA-N 267.785 2.500 0 1 CFAF COc1cc(O)cc(C(=O)c2cc(C)cc(OC)c2O)c1 2356325754 ZRBRJJKBERFWHT-UHFFFAOYSA-N 288.299 2.654 0 1 CFAF O=c1cc(CCC2CC2)c2c(O)nc(C(F)F)nc2o1 66079538 IZSPRNCPSKVMAY-UHFFFAOYSA-N 282.246 2.569 0 1 CFAF CN(C)C=C(NC(=O)Nc1ccc(F)cc1)C(F)(F)F 2356822507 FWIQDOKIFOGETH-UHFFFAOYSA-N 291.248 2.913 0 1 CFAF c1ccc(Cn2nnnc2-c2cccc3ncccc23)cc1 35994780 XJVQQGZQGTYURA-UHFFFAOYSA-N 287.326 2.937 0 1 CFAF CN1C(=O)C(C2CCCCC2)(C2CCCCC2)N=C1N 45337578 IAMIFCZOYVOTFD-UHFFFAOYSA-N 277.412 2.673 0 1 CFAF COc1ccc(-c2coc3cc(O)ccc3c2=O)c(OC)n1 45283482 NACZMHQSCCHGDF-UHFFFAOYSA-N 299.282 2.578 0 1 CFAF COCCc1c(CO)cc2c(c1C)CC(C)(C)[C@H]2OC 139115595 HKDHXZLREQAIPY-INIZCTEOSA-N 278.392 2.946 0 1 CFAF CC[C@@H](C)[C@H]1CCc2nc3nc(O)nc(O)c3cc21 587561226 FWQFTEOHVNNXOQ-HTQZYQBOSA-N 259.309 2.512 0 1 CFAF Fc1ccc2c(c1)-c1cc(n(Cc3ncccn3)n1)O2 587876127 ZLWMHQPOABPRLV-UHFFFAOYSA-N 268.251 2.633 0 1 CFAF Nc1cccc(C(=O)O)c1-c1nc2cncc(Cl)c2[nH]1 587248463 QLKVYURKIQZUDS-UHFFFAOYSA-N 288.694 2.559 0 1 CFAF Fc1ncc(Br)cc1-c1nc2cnccc2[nH]1 587178064 OESYZCIGNJHBGZ-UHFFFAOYSA-N 293.099 2.922 0 1 CFAF C[C@H]1Cc2cc3c(O)nc(O)nc3nc2-c2ccccc21 587561794 LSYOHKIBWXRGDQ-QMMMGPOBSA-N 279.299 2.763 0 1 CFAF OCc1ccc(-c2nc3c(Cl)nccc3[nH]2)cc1 586895738 WPANFUMOUQGPDQ-UHFFFAOYSA-N 259.696 2.771 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1ccncc1)O2 587396284 YBRFEEZLLCDFPM-QGZVFWFLSA-N 282.343 2.939 0 1 CFAF Cc1ccc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2n1 587137040 QAYCFLVWJRZAES-UHFFFAOYSA-N 278.237 2.933 0 1 CFAF COc1cc2nc(CC[C@@H](C)CC(=O)O)[nH]c2cc1F 587962623 HODHDJLWUYHPOS-MRVPVSSYSA-N 280.299 2.754 0 1 CFAF O=C(O)c1ccc([S@@](=O)Cc2ccc(Cl)cc2)cn1 169337685 KPXOPUFKHYLVSD-IBGZPJMESA-N 295.747 2.741 0 1 CFAF CSCCC[C@H]1NCCc2ccc(C(=O)N(C)C)cc21 962935005 XFAZZUDBOAZSGT-OAHLLOKOSA-N 292.448 2.718 0 1 CFAF Fc1cccc(C[C@@H]2NCCc3nc4ccccn4c32)c1 962984731 NLYSZORNTLBMPP-HNNXBMFYSA-N 281.334 2.903 0 1 CFAF Cn1cncc1C(=O)c1nccc2c1[nH]c1ccccc12 13393257 AKUVPIGMKLIECB-UHFFFAOYSA-N 276.299 2.681 0 1 CFAF c1ccc(CCNC2=NCCN2OCc2ccccc2)cc1 13539053 OJCBDBAMTVHJGL-UHFFFAOYSA-N 295.386 2.622 0 1 CFAF COc1cc2c(cc1C=O)[C@@H]1Oc3cc(O)ccc3[C@@H]1CO2 15217437 PFUGIXOGOGVEAA-GUYCJALGSA-N 298.294 2.823 0 1 CFAF CCCNC(=O)NCCc1coc2ccc(OC)cc12 1535295 WAHGAXYAFSMWOJ-UHFFFAOYSA-N 276.336 2.693 0 1 CFAF O=c1cccccc1NCCCCNc1cccccc1=O 1613627 ZIJSKIGHHIVMMT-UHFFFAOYSA-N 296.370 2.711 0 3 CFAF C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C1=O 101423681 RWIZCLOKALYHLB-BTAUDXDXSA-N 281.355 2.945 0 1 CFAF Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 100626302 IGZBMAFHMCJSPF-KPLDXPABSA-N 293.366 2.861 0 1 CFAF O[C@H](c1ccc(OCCCc2c[nH]cn2)cc1)C1CC1 26466978 XUHJGSXYONRISX-INIZCTEOSA-N 272.348 2.865 0 1 CFAF CO[C@H]1C=C(CCC=C(C)[C@@H](O)CC=C(C)C)C(=O)O1 2356464453 KWJDQWGBHWFRJA-LSDHHAIUSA-N 280.364 2.886 0 1 CFAF C[C@@H]1C(=O)O[C@@H]2C[C@@H]3C(=O)CC[C@H](C)[C@]3(C)C[C@@H]12 2356801273 RLDRZSAZEAWMSP-JWJCIKSLSA-N 250.338 2.579 0 1 CFAF C/C1=C/CC[C@H](C)[C@@H](C)OC(=O)/C=C\[C@](C)(O)/C=C\[C@@H]1O 33956276 RLNOIXQIRICASI-HTNMZXOESA-N 294.391 2.519 0 1 CFAF in-vitro CC(C)CNC(=O)NC(C)(C(F)(F)F)C(F)(F)F 3188986 MFWINUJGSKMHOQ-UHFFFAOYSA-N 280.212 2.825 0 1 CFAF biogenic O=c1c2ccc(F)cc2sn1-c1cccc(CO)c1 72175138 MALLRNWNGCWRJL-UHFFFAOYSA-N 275.304 2.684 0 1 CFAF Nc1nc(Nc2ccccc2Cl)nn1-c1ccccn1 72127838 KIUVCQMGYRAZME-UHFFFAOYSA-N 286.726 2.642 0 1 CFAF O=c1c2c([nH]n1-c1ccc(Cl)cc1)[C@H]1CCC[C@@H]1N=C2 137031677 GSLDBWNPXFIQAV-AAEUAGOBSA-N 287.750 2.888 0 1 CFAF CCc1ccc2sc3c(=O)[nH]c(CN(C)C)nc3c2c1 45284028 TWVUWPGFFNHEDT-UHFFFAOYSA-N 287.388 2.762 0 1 CFAF Cc1c2c(nc3sc(C(N)=O)c(N)c13)CCCCCC2 49111508 DEDIWXVHCRLIOE-UHFFFAOYSA-N 289.404 2.945 0 1 CFAF CC(C)COc1cccc2occ(C(=O)O)c(=O)c12 49803887 VYMRUWVXDWYGQU-UHFFFAOYSA-N 262.261 2.526 0 1 CFAF COCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCCN2C)c1 96273369 QWEBUPURHNWVEK-QRTARXTBSA-N 290.407 2.695 0 1 CFAF CC(C)(C)c1ccc(CSc2nnc(O)c(O)n2)cc1 653729247 PLGXCUMNCWHFOJ-UHFFFAOYSA-N 291.376 2.873 0 1 CFAF COc1nn2cc(-c3nc4cc(F)ccc4o3)nc2s1 653753181 ZEWFIBZMELMBAI-UHFFFAOYSA-N 290.279 2.747 0 1 CFAF COc1cc2nc([C@H]3CC[C@@H](N)C3)[nH]c2cc1Cl 587246416 IQYZGKBQPYTYBW-JGVFFNPUSA-N 265.744 2.820 0 1 CFAF C[C@H](O)c1ncc(-c2nc3ccc(F)cc3[nH]2)s1 587022703 VLTPGANREQFEOY-LURJTMIESA-N 263.297 2.879 0 1 CFAF CCO[C@@H](C)c1nc(C)c(-c2nc3cncnc3[nH]2)s1 587014774 QGJOCYKOGFJEHD-QMMMGPOBSA-N 289.364 2.882 0 1 CFAF N[C@H](c1ccsc1)c1nc2ccc(F)c(F)c2[nH]1 587025440 MBPAVSPCZXIXOT-SNVBAGLBSA-N 265.288 2.951 0 1 CFAF C[C@H](c1nc2ccc(O)cc2[nH]1)n1cc(Cl)cn1 587082343 ORHZKZGPJFTKDX-SSDOTTSWSA-N 262.700 2.728 0 1 CFAF N=c1nc2nc(-c3cc4c(s3)CCC4)[nH]c2c(Cl)[nH]1 587033140 DQUDMRYWADNWKZ-UHFFFAOYSA-N 291.767 2.636 0 1 CFAF N=c1[nH]c2nc(/C=C\c3ccsc3)nc-2c(Cl)[nH]1 587024707 ARYCDYGXKKNOLN-UPHRSURJSA-N 277.740 2.602 0 1 CFAF Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1cccc(F)c1 225938853 IEUSSUSUNMFYEH-UHFFFAOYSA-N 297.289 2.986 0 1 CFAF S=C(Nc1ccccc1)OCCCc1c[nH]cn1 13747036 UZOOYVANRPDRCA-UHFFFAOYSA-N 261.350 2.756 0 1 CFAF O=[N+]([O-])C(=C1c2ccccc2-c2ccccc21)[N+](=O)[O-] 19319226 LXCXLWVHPCFEEP-UHFFFAOYSA-N 268.228 2.937 0 1 CFAF CCc1cc2c(NCCN)nc(-c3ccncc3)nc2s1 205888230 KKVDCWSPGZUUKI-UHFFFAOYSA-N 299.403 2.686 0 1 CFAF O=C1c2ccccc2N[C@@H]2c3[nH]c4ccccc4c3C(=O)N12 157377094 JQOHEABEDRYSCK-HNNXBMFYSA-N 289.294 2.888 0 1 CFAF O=c1oc(NCc2ccccc2)nc2ccccc12 6983 QDVYYISRSLMIKF-UHFFFAOYSA-N 252.273 2.800 0 1 CFAF COc1ccccc1[C@@H]1NC(=O)c2ccccc2O1 4997889 HFHAZCYMJMSBOQ-OAHLLOKOSA-N 255.273 2.516 0 3 CFAF Cc1cc(C)cc(Nc2cnccc2NS(C)(=O)=O)c1 103266644 GWZRAVGMSZQUBC-UHFFFAOYSA-N 291.376 2.814 0 1 CFAF O=C1C[C@@H](c2ccccc2Br)n2ccnc2N1 101714006 AICBMMWWEMLDLE-JTQLQIEISA-N 292.136 2.577 0 1 CFAF CCN(CC)C(=O)c1ccc(C(=O)C(F)(F)F)cc1 28880606 ZCNQLPYVLDXUDL-UHFFFAOYSA-N 273.254 2.914 0 1 CFAF COc1ccc2c(c1)[C@@]13CCN(C)[C@H](C2)[C@H]1C[C@@H](C)C(=O)C3 101192879 ZLXURWCZUPCRCD-LOFBVBFDSA-N 299.414 2.808 0 1 CFAF Fc1ccc2[nH]cc(CCCCN3CCNCC3)c2c1 22939578 WYICVZCBFLADDG-UHFFFAOYSA-N 275.371 2.535 0 1 CFAF Cc1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1N 113735178 LNQQUYVEYRCVQF-UHFFFAOYSA-N 293.326 2.671 0 1 CFAF O=c1c2c(nc3cc(-c4cccc(Cl)c4)[nH]n13)CCC2 103900348 YNNGTNGOUFHZBV-UHFFFAOYSA-N 285.734 2.832 0 3 CFAF Cc1cc2n(c1C(=O)c1ccccc1)CC[C@@]2(C)C(=O)O 27977964 XRVLDSVAJCGTNG-QGZVFWFLSA-N 283.327 2.774 0 1 CFAF CCc1nnc(S)n2c([C@H](C)CC)nc(C)c12 29462154 VEJLSQOIJUZGBW-SSDOTTSWSA-N 250.371 2.797 0 1 CFAF COc1ccc([C@@](O)(c2cncnc2)C(C)(C)C)cc1 28768802 YRQBTOVKTWVFOC-MRXNPFEDSA-N 272.348 2.767 0 1 CFAF CC(=O)N[C@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 72103572 IVAIFHXUCZFXDR-CYBMUJFWSA-N 295.264 2.721 0 1 CFAF NC[C@]1(CC(=O)O)CC[C@H](CCc2ccccc2)C1 45394419 CVTWSVMTOFUNJU-GOEBONIOSA-N 261.365 2.839 0 1 CFAF COC(=O)c1cc2c(cc1O)[nH]c1cc(OC)ccc12 225381214 VHPDKPBWZCYWNQ-UHFFFAOYSA-N 271.272 2.822 0 1 CFAF C[C@H]1CCn2nc(COc3ccccc3)cc2[C@]1(C)O 299836853 IDISEGHPOUWHMF-BLLLJJGKSA-N 272.348 2.709 0 1 CFAF Oc1cccc([C@@H](O)c2nc3ccc(F)c(F)c3[nH]2)c1 586888110 BGIUUOIJUFIACR-CYBMUJFWSA-N 276.242 2.628 0 1 CFAF COc1cccc([C@H](C)Cc2nc3c(N)ccnc3[nH]2)c1 587930458 IKIUYAYTSZUQLY-SNVBAGLBSA-N 282.347 2.895 0 1 CFAF CC[C@@]1(c2cnn(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587390066 FSIMVYDXTTWJRI-INIZCTEOSA-N 285.347 2.581 0 1 CFAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C)N(C)C1 587479715 UQOKNLGGWUIUTA-PIGZYNQJSA-N 289.375 2.773 0 1 CFAF O=Nc1c(O)[nH]c2ccc(Cl)c(Cl)c2c1=O 13757440 VAWWXAMUXVYWJP-UHFFFAOYSA-N 259.048 2.938 0 1 CFAF COc1ccc2c(c1)c1c(c(=O)n2C)C=CC(C)(C)O1 13862565 FRRGFNDZOQHMGT-UHFFFAOYSA-N 271.316 2.731 0 1 CFAF C/C=C(\C)C(=O)Oc1cc(C)ccc1[C@](C)(CO)OC 14588714 QKESIZAEBRXOLV-JCSUNJAGSA-N 278.348 2.721 0 1 CFAF C[C@H]1C[C@]23CCN(C4CC4)[C@H](Cc4ccc(O)cc42)[C@@]3(C)O1 169316848 AHYHUCVNTHMBHY-VEFTVXKRSA-N 299.414 2.990 0 1 CFAF COC(=O)[C@H]1[C@@H](c2cccc(F)c2)C[C@H]2CC[C@H]1N2C 169343380 KBWLRHKLMPNABK-TUVASFSCSA-N 277.339 2.565 0 1 CFAF O=c1cccc2oc(-c3ccc(O)cc3)cc(O)c1-2 169723201 STYVAERQLVJTRI-UHFFFAOYSA-N 254.241 2.823 0 1 CFAF O=c1[nH]c2ccc(N3CCCC3)nc2nc1-c1ccccc1 233327 RYCLYSTUDLIHGO-UHFFFAOYSA-N 292.342 2.585 0 1 CFAF COc1cc([C@H](C)n2nnc3ccccc32)ccc1O 4983328 PFEFMWMEXLGJSQ-JTQLQIEISA-N 269.304 2.755 0 3 CFAF Cc1oc2ncnc(N3C[C@H](C)C[C@@H](C)C3)c2c1C(=O)O 6738774 VWAAYONQHXWAHN-RKDXNWHRSA-N 289.335 2.712 0 1 CFAF c1ccc(OCCN[C@H]2COC[C@H](c3ccccc3)O2)cc1 103218950 XRZGFATVHUXAGU-QZTJIDSGSA-N 299.370 2.769 0 1 CFAF CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(C(=O)O)O2 28876781 CUHJERIEOYEEOS-INIZCTEOSA-N 292.331 2.705 0 1 CFAF COc1ccc(/C=C2\C(=O)Oc3ccc(O)cc32)cc1 53230842 BTNKMFGGIQUABL-ZSOIEALJSA-N 268.268 2.860 0 1 CFAF CC(C)NC[C@@H](O)[C@H](C)Oc1ccc2ccccc2c1 28229036 ZBHSIFRWYRQAAI-SUMWQHHRSA-N 273.376 2.966 0 1 CFAF Cc1nn(C)c2c1C(c1ccccc1)=NC[C@@H]1CCCCN21 28099734 GTVRBDXNWBDDGU-HNNXBMFYSA-N 294.402 2.938 0 1 CFAF COC(=O)[C@H]1C=C[C@@H](C)[C@@H](CCOc2ccccc2)O1 66139302 SJURJHVQPGUJTI-BPLDGKMQSA-N 276.332 2.588 0 1 CFAF C[C@]1(CO)Cc2ccccc2C(=O)N1c1ccccc1 72178532 MVUSOTSFFHMLDG-QGZVFWFLSA-N 267.328 2.641 0 1 CFAF CN1[C@H]2CC[C@H]1[C@H](/C=C/CO)[C@H](c1ccccc1)C2 261076631 BAROFIYZXNPKFU-WVWRURJHSA-N 257.377 2.801 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccc(C)cn1)[C@@H](C2)C3=O 587435460 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297.398 2.944 0 1 CFAF NC(=O)N(O)[C@H]1CCCc2c1ccc1ccccc21 5523 NHAKILSBJORLIH-AWEZNQCLSA-N 256.305 2.987 0 1 CFAF C[C@H](CO)[C@@H]1CCc2coc3cc(C(=O)O)cc1c23 2356325256 NJYGTKDUQVRJAI-KCJUWKMLSA-N 260.289 2.789 0 1 CFAF C[C@@H]1C=C[C@@H]2C[C@H](CO)CC[C@@H]2[C@@H]1CCC(=O)O 2356334494 IEYGSRROAFACDI-KSTCHIGDSA-N 252.354 2.698 0 1 CFAF O=C1c2ccccc2[C@@H](O)N1Cc1ccccc1Cl 4991916 KZPSEHDZYRELII-CQSZACIVSA-N 273.719 2.987 0 3 CFAF Cc1cc(-n2[nH]c(=O)c3ccccc3c2=O)ccc1Cl 6733219 ASUMRNNFOMAAMQ-UHFFFAOYSA-N 286.718 2.641 0 1 CFAF CN1CCN(c2cccc3c2N=C2SC=C[C@H]2N=C3)CC1 101343653 KLUYOUKBERCACP-CYBMUJFWSA-N 298.415 2.530 0 1 CFAF C[C@@](F)(c1ccc(C(F)(F)F)nc1)[S@](C)(=O)=NC#N 103192945 GCBMZCYVHXHTIQ-UGZDLDLSSA-N 295.261 2.821 0 1 CFAF CO/C(O)=C1\C(C)=NC(C)=C([N+](=O)[O-])[C@@H]1c1ccccn1 27559340 VJFITSNKHWJKLB-SLQMCABGSA-N 289.291 2.564 0 1 CFAF Cc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1 28223054 HAZCKGIPEIZFCN-UHFFFAOYSA-N 286.287 2.680 0 1 CFAF Cc1ccc2nc(CO[C@H]3CN(C(C)C)C[C@@H]3F)[nH]c2c1 2356301740 DCOJTAJYKJTYMI-WFASDCNBSA-N 291.370 2.819 0 1 CFAF CC(=O)O[C@@H]1CC(C)=CCCC(C(=O)O)=C[C@@H]2C[C@@H]21 2356476477 JVAVVXRDSNKYPD-HZSPNIEDSA-N 264.321 2.695 0 1 CFAF CCCC(=O)N1CC[C@@]1(C)C(=O)Nc1cccc(F)c1 61898903 ZSQOZCYKAAURCK-HNNXBMFYSA-N 278.327 2.555 0 3 CFAF CC(=O)Nc1cccc(-c2cccc3nccn23)c1 61904008 ZHCHJCBSTKNKOB-UHFFFAOYSA-N 251.289 2.960 0 3 CFAF COc1cc2c(cc1O)[C@H](Cc1cccc(O)c1)N(C)CC2 38602714 SHWPEIHPZQIGDT-INIZCTEOSA-N 299.370 2.878 0 1 CFAF COc1ccc(-c2cn(CCO)c(-c3ccncc3)n2)cc1 36387395 RVPCMFCOCOYZAL-UHFFFAOYSA-N 295.342 2.613 0 3 CFAF CC1(C)CN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2CN1 35271292 GMURJUIWIJZOLD-JTQLQIEISA-N 284.281 2.584 0 1 CFAF CN1CCCO[P@@]1(=O)c1ccc(C(F)(F)F)cc1 1911582529 FTZFRMXTZXHNMW-SFHVURJKSA-N 279.198 2.876 0 1 CFAF COc1cc(OC)c(OC)cc1/C=C/[C@H]1CC=CC(=O)O1 84707836 NADJOTWKBUUKOO-ABZNLYFFSA-N 290.315 2.597 0 1 CFAF CC(C)[C@@]1(O)CC[C@@](C)(N=S)[C@@H]2CC[C@@](C)(O)C=C21 84597169 IREDGOQSVKBMCZ-NGFQHRJXSA-N 283.437 2.744 0 1 CFAF CC[C@@H](C)C(=O)OC[C@@H]1CCCN2CCCC[C@H]12 86021036 LFGUJSDGPHMTCB-HZSPNIEDSA-N 253.386 2.840 0 1 CFAF CCCN1CC(CO)=C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 80431709 ZIXOGYRTGBSSMJ-NVXWUHKLSA-N 282.387 2.821 0 1 CFAF c1ccc(-n2cc(-c3ccc4[nH]ncc4c3)nn2)cc1 147099743 NDNPSUUGFFCALQ-UHFFFAOYSA-N 261.288 2.811 0 1 CFAF CCCSc1nsnc1O[C@@H]1CN2CCC[C@H]1C2 144282706 XZSKFNOPUAZERB-VHSXEESVSA-N 285.438 2.513 0 1 CFAF CC(=O)OC[C@@](C)(O)[C@H]1/C=C/[C@](C)(O)CC/C=C(\C)CC1 95620006 RTFVWCRRSNVOBR-LKJPUSSHSA-N 296.407 2.744 0 1 CFAF endogenous,in-man CN1CCc2cc(O)c(CO)cc2[C@@H](c2ccccc2)C1 299829489 JZGXUWOYCFNOGI-QGZVFWFLSA-N 283.371 2.504 0 1 CFAF COC(=O)Nc1ccc(-c2nc3ccncc3[nH]2)cc1 587243244 HRYSBFJJDGIDNJ-UHFFFAOYSA-N 268.276 2.803 0 1 CFAF N=c1cc(-c2nc3cc(F)cnc3[nH]2)c2ccccc2[nH]1 587253456 JFQUNPFNKMCDIM-UHFFFAOYSA-N 279.278 2.725 0 1 CFAF CCCc1c(O)ccc2c1O[C@@]1(CCCNCC1)CC2=O 587478148 AJSDLRAQCYTSPV-QGZVFWFLSA-N 289.375 2.822 0 1 CFAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(F)c(F)c2[nH]1 587962510 JZZAGCHHYHEKFZ-HTQZYQBOSA-N 264.275 2.999 0 1 CFAF COc1cncc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c12 586905225 ZRYSZLWDMJFKFS-YPMHNXCESA-N 281.315 2.536 0 1 CFAF C[C@@H](NC(C)(C)C)[C@@H](O)c1ccc(O)c(Cl)c1 1857548595 OVCZIEKVPBZCBH-PRHODGIISA-N 257.761 2.856 0 1 CFAF Cc1cc(F)ccc1OCC(=O)Nc1cccnc1 1857609043 ZNVSJSPLGCRTMY-UHFFFAOYSA-N 260.268 2.547 0 1 CFAF CCc1c(C)[nH]c(=O)c(N)c1C(=O)c1cc(C)cc(C)c1 5885951 QLEXSWQYUHOSAR-UHFFFAOYSA-N 284.359 2.676 0 1 CFAF Cn1c(C(=O)OC[C@@H]2CCN3CCC[C@@H]23)cc2ccccc21 13681111 PMCHCNZDKKYVGS-HOCLYGCPSA-N 298.386 2.819 0 1 CFAF O=c1[nH]c2cc(Cl)c(Cl)c(C(F)(F)F)c2nc1O 13743968 HWGQZTFEUCVLKT-UHFFFAOYSA-N 299.035 2.954 0 1 CFAF CC(=O)NC[C@H]1CCc2ccc3ccccc3c2O1 169333252 FNFMBPMAIIQWIZ-CQSZACIVSA-N 255.317 2.670 0 1 CFAF COc1cc(/C=C/C(=O)O)c2cccc(C)c2c1O 27523189 ZUDKOVFKDQWYFO-VOTSOKGWSA-N 258.273 2.960 0 1 CFAF COC1=CC2=CCN3CCc4cc(O)c(OC)cc4[C@@]23CC1 2356368438 PJICDYOFVGIZSM-GOSISDBHSA-N 299.370 2.718 0 1 CFAF Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1C 3913084 UUYUSNTYGICKSX-NEBZKDRISA-N 267.328 2.615 0 1 CFAF COc1cc(NC(=O)c2csc3c2CCCC3)ncn1 4111009 RPOKVXLZRUJCMU-UHFFFAOYSA-N 289.360 2.678 0 3 CFAF CCc1nc2nc(C)cc(NCCc3ccccc3)n2n1 6822314 RCIMBGZLMLPYBB-UHFFFAOYSA-N 281.363 2.650 0 1 CFAF CN1C(=N)N(C)/C(=C/c2c[nH]c3ccc(Cl)cc23)C1=O 53298678 MYOTUZNEZYLZFE-ZSUDRMHPSA-N 288.738 2.501 0 1 CFAF CCCS(=O)(=O)NC1[C@@H]2CC[C@@H]1Cc1ccccc1C2 101027685 RXNKZDVMZSFLFU-HUUCEWRRSA-N 293.432 2.509 0 1 CFAF COc1cc(Cn2ccnc2)cc2sc(C(=O)O)cc12 29398414 PUYXRKTVZSDHGR-UHFFFAOYSA-N 288.328 2.853 0 1 CFAF C[C@@H]1CC[C@@H]2[C@](C)(C(=O)O)C[C@]3(C)CC[C@@H]1[C@@]23O 2356575268 HJIXPIWBGQEXMJ-JIGBKUHMSA-N 252.354 2.675 0 1 CFAF CS(=O)(=O)Nc1ccncc1Nc1cccc(Cl)c1 48999357 VHVRQMAMHSTXLD-UHFFFAOYSA-N 297.767 2.850 0 1 CFAF O=C(Nc1c(O)c2ccccc2oc1=O)c1ccccc1 44605946 HURCDLKXVVGVLA-UHFFFAOYSA-N 281.267 2.751 0 1 CFAF COc1cnc(-c2ccccn2)nc1N(C)C1CCCC1 84703782 RADRLLUMJKDNPX-UHFFFAOYSA-N 284.363 2.926 0 1 CFAF CN(C)C(=S)SCc1nc2ccccc2[nH]1 84634190 KVTJBOXJJUZSPZ-UHFFFAOYSA-N 251.380 2.643 0 1 CFAF COc1cc2c(cc1OC)[N+]([O-])=C(c1ccc(C)cc1)C2=O 45290029 WEUCWOAGXRQHTL-UHFFFAOYSA-N 297.310 2.840 0 1 CFAF Cc1noc(C)c1CC(=O)NCc1cccc(F)c1C 84703971 YNVPNGOKBMVNLT-UHFFFAOYSA-N 276.311 2.598 0 1 CFAF CCNc1ccc2c(Cl)c(OC)oc(=O)c2c1 95592622 GDLMWUDQJCFHHG-UHFFFAOYSA-N 253.685 2.887 0 1 CFAF CCc1c(CC(=O)OC)nc2cccc3c2c1CC3 587213744 KSKITIUEAQTJTO-UHFFFAOYSA-N 255.317 2.611 0 1 CFAF N=c1[nH]c(-c2cc3c4c(cccc4n2)CC3)cs1 587361507 VCOOMVQXUIPCHB-UHFFFAOYSA-N 253.330 2.869 0 1 CFAF Oc1ccc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2c1 586909441 YZCKBGKQIPIYGP-UHFFFAOYSA-N 280.283 2.907 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1cccn1C)[C@@H](C2)C3=O 587431115 MVMPUVCIXIZVQC-ZBEGNZNMSA-N 269.300 2.522 0 1 CFAF CC1(C)c2nc3cccc4c3c(c2[C@H]1C(=O)O)CC4 587214897 FKVILUAKXOWDMS-ZDUSSCGKSA-N 253.301 2.793 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)CC[C@H]1CCCC[C@@H]31 587562406 ZMUQIBAPCGHVCR-RKDXNWHRSA-N 271.320 2.656 0 1 CFAF O=C(/C=C/c1nc2cccnc2[nH]1)Nc1ccccc1 587243877 JUERYTYOQFDCFK-CMDGGOBGSA-N 264.288 2.610 0 1 CFAF COc1ccc([C@@H]2NCCc3ccc(F)c(C)c32)cc1N 962093897 RWNUWIVPBQPMTR-KRWDZBQOSA-N 286.350 2.960 0 1 CFAF CC[C@@]1(Cc2ccco2)NCCc2c(C)ccnc21 963070265 GILARSRYIQQEQW-INIZCTEOSA-N 256.349 2.977 0 1 CFAF C[C@H]1C[C@H]2CSC(=N)N[C@@]2(c2cccs2)CO1 1857646617 XHKFJNRNJSGHFB-AUTRQRHGSA-N 268.407 2.640 0 1 CFAF Cc1nn(-c2ccccc2)c(O)c1C(=O)c1cccnc1 1772588651 BJWMUYBELDGGBJ-UHFFFAOYSA-N 279.299 2.512 0 1 CFAF c1cc2c(ncn3nnc([C@H]4C[C@H]5CC[C@H]4C5)c23)[nH]1 1772640089 SNLKNTUIVFHPNV-QXEWZRGKSA-N 253.309 2.509 0 1 CFAF COc1ccc(OC)c(CCc2cc(O)cc(O)c2)c1 13340224 YACSBTXOXDWGRS-UHFFFAOYSA-N 274.316 2.900 0 1 CFAF biogenic,in-vitro C[C@@H](CN1CCC(CCO)CC1)n1cnc2ccccc21 19744147 RNYJMEZOSZEOCJ-AWEZNQCLSA-N 287.407 2.692 0 1 CFAF CC(/C=C\C(N)=O)=C\[C@H](C)C(=O)c1ccc(N(C)C)cc1 207736066 PCIMEOIYJHGTNG-QVUSVIEQSA-N 286.375 2.559 0 1 CFAF OCc1ccccc1CCCc1cc2c(cc1O)CCO2 28006461 BIDVYCOGVYFPGL-UHFFFAOYSA-N 284.355 2.995 0 1 CFAF CCN1[C@H]2CC[C@H]1CC(NC(=O)N1CCc3ccccc31)C2 100809997 GHYDWVPFCQRKOT-HOTGVXAUSA-N 299.418 2.774 0 1 CFAF CCNCCCNc1[nH]cc(C)c2nc3ccncc3c1-2 102186531 DSJFAWGCWPAWGA-UHFFFAOYSA-N 283.379 2.783 0 1 CFAF N=C(N)c1ccc(C[P@@](=O)(O)Oc2ccccc2)cc1 64744409 WWKGYQUWQUONHG-UHFFFAOYSA-N 290.259 2.735 0 1 CFAF in-vitro C[C@]12N[C@H](Cc3ccc(CO)cc31)c1ccccc12 27893124 MGHQMHINCTWWNB-IAGOWNOFSA-N 251.329 2.643 0 1 CFAF C[C@@H]1CCC(=O)[C@@H]2Cc3occ(C(=O)O)c3C[C@@]12C 2356727597 QACYOCDXHAPSDZ-SXKNGAHQSA-N 262.305 2.698 0 1 CFAF O=C1C=CC(=O)N1Cc1ccc(-c2ccccc2)cc1 45300099 LMMOMHSYMJTOJF-UHFFFAOYSA-N 263.296 2.779 0 1 CFAF in-vivo C[C@H]1C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@H]2CCCN3C 85531083 SIQKNJDHWYZFFT-NEULZYRMSA-N 272.392 2.514 0 1 CFAF biogenic,in-vitro CN1CCCO[P@]1(=O)c1ccc(C(F)(F)F)cc1 1911582528 FTZFRMXTZXHNMW-GOSISDBHSA-N 279.198 2.876 0 1 CFAF Oc1ccc2nc(-c3ccc(NCCF)nc3)oc2c1 84653819 WBQUBKGXZVXILO-UHFFFAOYSA-N 273.267 2.977 0 1 CFAF CN(C)c1ccc([C@@](C)(O)c2ncnc3ccccc23)cc1 199275009 IVUQUIOWRXOASA-GOSISDBHSA-N 293.370 2.952 0 1 CFAF COc1ccccc1-c1cnnn1-c1ccccc1 81481738 ZZENWXHZMRLQMD-UHFFFAOYSA-N 251.289 2.943 0 1 CFAF C[Si](C)(C)CC[C@@](O)(Cn1cncn1)c1ccccc1 195851395 VVEVJYIJQPKLOG-OAHLLOKOSA-N 289.455 2.894 0 1 CFAF CCOC(=O)C(=O)Cc1nc2cccc3c2c(c1CC)CC3 587211667 IYCXDCFKTQFPHA-UHFFFAOYSA-N 297.354 2.571 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccc(F)nc1)[C@@H](C2)C3=O 587428960 RLVKOBDHWJJHHA-MEDUHNTESA-N 285.274 2.718 0 1 CFAF COc1cc2nc(C3CC4(COC4)C3)[nH]c2cc1F 586918668 ZOLOGMDCQVSLKS-UHFFFAOYSA-N 262.284 2.605 0 1 CFAF OCc1ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2c1 586900590 DKRREQWCYMQRPM-CJNGLKHVSA-N 280.327 2.624 0 1 CFAF CC[C@]1(c2cncn2C)CC(=O)c2cc(C)cc(N)c2O1 587392610 ZXTOGAQFOMTGSA-MRXNPFEDSA-N 285.347 2.581 0 1 CFAF COc1cc2c3c(c1)O[C@@H](CSC(C)C)[C@@H](C2)C3=O 587448477 JOWUIVCWLAOLTI-YPMHNXCESA-N 278.373 2.953 0 1 CFAF Fc1ccc(/C=C/c2nc3ncc[nH]c-3n2)c(F)c1 587151073 PVJWBSFTRXCPDA-DUXPYHPUSA-N 258.231 2.753 0 1 CFAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)NCC(=O)O)c2c1 587640531 AWITXQLJKLCPJE-SECBINFHSA-N 288.347 2.804 0 1 CFAF COc1ncc(F)cc1-c1nc2cnc(Cl)cc2[nH]1 587175296 BDLJCQGTHZQERI-UHFFFAOYSA-N 278.674 2.821 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C1CCN(C)CC1)O2 587395922 PEFJXSPDLMUFHA-QGZVFWFLSA-N 288.391 2.643 0 1 CFAF COc1cccnc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587394722 ZLFSBDSVULLPSD-AWEZNQCLSA-N 284.315 2.687 0 1 CFAF COc1nccc2[nH]c(-c3oc4c(c3C)[C@@H](O)CCC4)nc12 586903505 KVOOCWZYUWSINI-JTQLQIEISA-N 299.330 2.905 0 1 CFAF CCOC(=O)[C@H](C)[C@H]1NCCc2cc(C)c(F)cc21 962143023 HQOGFLUAFLCIPV-QMTHXVAHSA-N 265.328 2.520 0 1 CFAF COc1ncncc1[C@@H]1c2ccc(F)cc2C[C@H]2CCCN12 963099636 PMRWASWWIBXBQF-CJNGLKHVSA-N 299.349 2.734 0 1 CFAF Oc1ccc2c(c1)[C@@H](c1ccnn1[C@H]1CCCCO1)NCC2 963328928 JOULHNLOSUCDPC-SJORKVTESA-N 299.374 2.523 0 1 CFAF OCc1ccc(OCC2CCN(CC3CC3)CC2)cc1 13730019 DRHLUSIUCNGTDR-UHFFFAOYSA-N 275.392 2.680 0 1 CFAF O=C1CCC(=O)N1[C@@H](Nc1ccccc1)c1ccccc1 1441293 NXDYHHNXSXRZCJ-QGZVFWFLSA-N 280.327 2.946 0 1 CFAF Cc1cc2nc(O)c(-c3ccccc3)[n+]([O-])c2cc1C 26277412 SKCBRWQLQAZTRO-UHFFFAOYSA-N 266.300 2.858 0 1 CFAF O=C(O)Cc1ccc2c(c1)C(=O)[C@@H]1CCCC[C@@H]1CO2 27558612 IRVWWTPLOSLNTL-VXGBXAGGSA-N 274.316 2.695 0 1 CFAF COc1cc(CCC(=O)n2cccc2)cc(OC)c1OC 66066223 OEPMYHLWGJDONN-UHFFFAOYSA-N 289.331 2.787 0 1 CFAF CC(=O)N1N=C(c2nc(C(C)C)cs2)OC1(C)C 49051440 YFPQNSPNIBMRMO-UHFFFAOYSA-N 267.354 2.543 0 1 CFAF CC(C)c1[nH]nc2c1[C@H](c1ccc(F)cc1)NC2=O 199730270 LYNHEOOUKJYABU-LBPRGKRZSA-N 259.284 2.505 0 3 CFAF CC[C@@H]1CCC(=O)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587405582 MFNNRAAFVOZQTB-QLJPJBMISA-N 273.332 2.670 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](c1ccnnc1)CC2=O 587485173 PZFCHBXDMSVXAX-HNNXBMFYSA-N 284.315 2.841 0 1 CFAF C[C@H](c1nc2ccc(CCO)cc2[nH]1)n1cc(Cl)cn1 587082296 NQPLLRSVMCWJJK-SECBINFHSA-N 290.754 2.557 0 1 CFAF Clc1ccc2nc(-c3cnc(Cl)nc3)[nH]c2n1 587085741 FBIQBRHZMXVCCB-UHFFFAOYSA-N 266.091 2.722 0 1 CFAF CN[C@H](c1cccnc1)c1nc2cc(OC)c(C)cc2[nH]1 587222374 KHPUMSKEQOSQKE-OAHLLOKOSA-N 282.347 2.584 0 1 CFAF Oc1ccc(C2(c3nc4cc(F)cnc4[nH]3)CC2)cc1 586898721 LZTPPONMCNPTRE-UHFFFAOYSA-N 269.279 2.883 0 1 CFAF O=C1c2ccoc2CC[C@H]1Cc1nc2cccnc2[nH]1 586907918 OTYVYCRFYNWJRM-VIFPVBQESA-N 267.288 2.539 0 1 CFAF COC(=O)[C@H]1CCc2nc3cccc4c3c(c2C1)CC4 587213511 IUBVRWHYQSUPIG-NSHDSACASA-N 267.328 2.611 0 1 CFAF O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(O)cc2[nH]1 586906382 CDJZQZDKAAYFPG-VIFPVBQESA-N 282.299 2.849 0 1 CFAF Cc1ccc2nc([C@H](N)Cc3cscn3)[nH]c2c1C 587029951 VJCVSQFWALGIEH-LLVKDONJSA-N 272.377 2.879 0 1 CFAF CCCCC[C@](O)(Cn1cncn1)c1cccc(F)c1 1857768715 NXXXGNATEUJKBD-HNNXBMFYSA-N 277.343 2.885 0 1 CFAF N=[S@]1(=O)c2ccccc2C(=O)N1c1ccccc1 1772610923 MWPRNBMQAJJCRS-GOSISDBHSA-N 258.302 2.668 0 1 CFAF Cn1c(C(=O)Nc2ccccc2)nc2sccc21 1772625286 HBXYAEFHJNPIJS-UHFFFAOYSA-N 257.318 2.887 0 1 CFAF COc1c2occc2c(CN(C)C)c2ccc(=O)oc12 5965023 ISCUJUPPEBJPTQ-UHFFFAOYSA-N 273.288 2.609 0 1 CFAF O=C(O)CCc1ccc(NCc2cccnc2)cc1 14979000 CBBPSLLCAQJKAN-UHFFFAOYSA-N 256.305 2.711 0 1 CFAF CCCN1CCO[C@@H]2c3c(ccc4[nH]ccc34)OC[C@@H]21 1857587962 KCKPUTXKJBHHRZ-BBRMVZONSA-N 272.348 2.712 0 1 CFAF CCOC(=O)c1coc(Nc2nc(C)c(O)c(C)c2C)n1 1857648252 LLWVZPNUJAVZBY-UHFFFAOYSA-N 291.307 2.621 0 1 CFAF CC(=O)NCCc1ccc(-c2cccc(C(=O)O)c2)cc1 1857761046 OGVOCGQIMXHGHF-UHFFFAOYSA-N 283.327 2.730 0 1 CFAF CC(=O)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccccc1 212214 BBWOJGQDESHHFS-QGZVFWFLSA-N 298.317 2.716 0 3 CFAF c1ccc(CNCCOc2cccc3[nH]cnc23)cc1 26577725 XQWCSGWUJUEAQM-UHFFFAOYSA-N 267.332 2.732 0 1 CFAF in-vivo COc1ccc(-c2nc3c(C)nccc3[nH]2)c(OC)c1 26289661 GNELGZRDAJXYIU-UHFFFAOYSA-N 269.304 2.951 0 1 CFAF COc1ccccc1/C=C1\C(=O)Oc2ccc(O)cc21 53297302 WQUWZRSHTXUGHN-JYRVWZFOSA-N 268.268 2.860 0 1 CFAF C[C@H](C(=O)c1ccc(Cl)cc1)n1ccccc1=O 29318190 YRMFNXUODYOOAU-SNVBAGLBSA-N 261.708 2.946 0 1 CFAF C[C@H]1NC(C)(C)CO[C@]1(O)c1ccc(Cl)c(Cl)c1 53312845 GRQDILLJMSLURW-OQPBUACISA-N 290.190 2.925 0 1 CFAF Cc1cc2cc(NC(=O)c3ccc[n+](C)c3)ccc2[nH]1 64251843 IWNHKJMUXAKLHY-UHFFFAOYSA-O 266.324 2.553 0 1 CFAF CC[C@H](C)[C@H]1CNCCN1CCc1cccc(F)c1 22929225 QNBKEARLHRXUOQ-XJKSGUPXSA-N 264.388 2.688 0 3 CFAF CC(C)=CCC[C@]1(C)[C@@H]2C=C(C(=O)O)C[C@@H](O)[C@H]21 2356625230 FDIVBBVUHYDHDS-GUIRCDHDSA-N 250.338 2.761 0 1 CFAF COC(=O)c1sc2cc(-c3ccoc3)cnc2c1N 66262353 CBKUAESKNPZXEQ-UHFFFAOYSA-N 274.301 2.925 0 1 CFAF COc1ccc([C@H](c2ccccc2)[C@@H](O)CN(C)C)cc1 39245480 RWNCKDRONMTFQS-ROUUACIJSA-N 285.387 2.750 0 1 CFAF O=C(N1CCc2cc(O)ccc2C1)C(Cl)(Cl)Cl 71329506 DNWIVWZZEIIVMJ-UHFFFAOYSA-N 294.565 2.647 0 1 CFAF Cc1sc2nc(C)n3c(S)nnc3c2c1C 40379099 VEUXRDGBXHITOH-UHFFFAOYSA-N 250.352 2.553 0 1 CFAF CCNC(=O)c1ccc(-n2cnc3ccccc32)s1 84602796 VIOXTMDJQGTSMF-UHFFFAOYSA-N 271.345 2.837 0 1 CFAF CC1(C)OC(=O)C2=C(C[C@@H](C3CC3)O[C@@H]2C2CC2)O1 199212825 SJZRGNXICHMVSX-GXFFZTMASA-N 264.321 2.528 0 3 CFAF COc1ccc2[nH]c3c(=O)[nH]nc(-c4ccco4)c3c2c1 299825545 MQTOHMJPTGWEHD-UHFFFAOYSA-N 281.271 2.673 0 1 CFAF Nc1ncc(-c2ccnc(Br)c2)c(C2CC2)n1 299831366 IODHBHAJJQWZBG-UHFFFAOYSA-N 291.152 2.761 0 1 CFAF Cc1cncc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12 587170653 DQBQTWXGMJIVTD-UHFFFAOYSA-N 299.305 2.863 0 1 CFAF CC1(C)OC(=O)C(c2nc3ccc(C(C)(C)C)cc3[nH]2)=C1N 587255849 ZQKUDRRTFWVNIQ-UHFFFAOYSA-N 299.374 2.866 0 1 CFAF CCOC(=O)[C@@H](C(C)=O)c1c(C)nc2cccc3c2c1CC3 587211044 BJFFBTGBUDJGHQ-INIZCTEOSA-N 297.354 2.878 0 1 CFAF c1ccc(C[C@@H]2N[C@H](c3nc4cnccc4[nH]3)CS2)cc1 587040506 HPTARBGKCVBNIK-LSDHHAIUSA-N 296.399 2.904 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCCC[C@@H]1O)O2 587405238 VCYKLWQYJJQGHL-DOTOQJQBSA-N 289.375 2.996 0 1 CFAF O=C(OC1c2ccccc2-c2ccccc21)N1CCNCC1 72187405 VGAZIAIGUMYFBO-UHFFFAOYSA-N 294.354 2.798 0 1 CFAF CCC1=C2[C@H]3C=C(C)C[C@]2(NC1)c1ccc(O)nc1C3 13442453 LWKCOSFHDJDLBU-SJCJKPOMSA-N 268.360 2.815 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C 13586318 MMKZDDDDODERSJ-ZJIFWQFVSA-N 273.376 2.734 0 1 CFAF CC1=NC(=O)N[C@@H](c2ccsc2)[C@@H]1C(=O)OCC(C)C 169688524 LOLZPZTZBQSRJW-NEPJUHHUSA-N 294.376 2.789 0 1 CFAF C/C=C/[C@H]1[C@@H]2C(=O)[C@]3(Cl)[C@H](C(=O)[C@]12Cl)[C@H]3/C=C/C 5566352 YOKDVLMTTYBDEZ-GEWNZKQTSA-N 285.170 2.738 0 1 CFAF C1CCC(Nc2nc3nonc3nc2NC2CCCC2)C1 1857555867 JXSFPXWMRRCUJU-UHFFFAOYSA-N 288.355 2.722 0 1 CFAF C[C@@H]1Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O 2012676 LUDKBHINORQIBS-RXMQYKEDSA-N 289.114 2.832 0 1 CFAF CC(C)=C[C@@H]1[C@@H](COC(=O)[C@H](O)C(C)C)C1(C)C 2356408654 LMUFVISGPNZNCI-JHJVBQTASA-N 254.370 2.785 0 1 CFAF CCc1nc(N(C)C)c2ncn(Cc3ccc(C)cc3)c2n1 3647027 URCKQGAGFLJGJO-UHFFFAOYSA-N 295.390 2.811 0 1 CFAF Cc1ccccc1C(=O)Nc1nnc(-c2cccnc2)o1 4107461 NCRPIJWIULZLIQ-UHFFFAOYSA-N 280.287 2.692 0 3 CFAF CCOC(=O)N1c2ccccc2N(C)C(=O)c2cccnc21 6403121 QRUSILKYLDHZEI-UHFFFAOYSA-N 297.314 2.966 0 1 CFAF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H](c1ccc(Cl)cc1)C2 101038797 WBQWEXIOQUVCHG-SYQHCUMBSA-N 279.767 2.991 0 1 CFAF O=C1NC(=S)N/C1=C/c1ccc(-c2ccccc2)s1 103238461 UWXHJYLAAUSPMJ-DHZHZOJOSA-N 286.381 2.760 0 1 CFAF CN1[C@@H]2CC[C@@H]1CC(NC(=O)c1ccnc3ccccc13)C2 100643217 UQQUBZJNCFEXFB-ZIAGYGMSSA-N 295.386 2.590 0 1 CFAF O=C(O)c1cc(-c2ccccc2C(F)(F)F)ncn1 117588398 PPQIJZKRSVUPGL-UHFFFAOYSA-N 268.194 2.861 0 1 CFAF CC(C)N1C[C@H](F)[C@@H](OCc2nc3ccccc3[nH]2)C1 2356778473 VZMDHOWYZACKIY-FZMZJTMJSA-N 277.343 2.510 0 1 CFAF CCOC(=O)c1cc(-c2ccc(NC(=O)CC)cc2)[nH]n1 72126890 OZVRCWKPYGLPOX-UHFFFAOYSA-N 287.319 2.602 0 1 CFAF O[C@H]1C[C@@H]2CCCN3CCc4c(n1c1ccccc41)[C@H]23 84758354 KOIGYXJOGRVNIS-UVBJJODRSA-N 268.360 2.845 0 1 CFAF in-man O=C(CCN(CCO)Cc1ccccc1)c1ccsc1 45371605 BQCLCGWWBGBEGZ-UHFFFAOYSA-N 289.400 2.815 0 1 CFAF CCC(CC)Nc1nc(N2C[C@H](C)O[C@@H](C)C2)ncc1C 82202942 XFGQHNZUDDXEPB-STQMWFEESA-N 292.427 2.999 0 1 CFAF CC1=C[C@H](CC2=CC(=O)O[C@@H]2O)[C@H](C(C)C)CC1 40918666 XSUQCIIWOCZPHC-ZLDLUXBVSA-N 250.338 2.807 0 1 CFAF O=C(NC1CC1)c1ccc(-n2cnc3ccccc32)s1 84602140 ZBUQTPPDEUAAJJ-UHFFFAOYSA-N 283.356 2.979 0 1 CFAF COc1cnc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144826332 SPFDXWPHKCAKDW-CYBMUJFWSA-N 281.233 2.869 0 1 CFAF Cc1cc(C(C)(C)CO)c(O)c(C)c1Cc1ncc[nH]1 299853178 GTYONBALMIDUDK-UHFFFAOYSA-N 274.364 2.593 0 1 CFAF N=c1sccn1CC(=O)c1cc2ccccc2o1 653742708 YPTIQFQEYRLWJB-UHFFFAOYSA-N 258.302 2.658 0 1 CFAF CC(=O)c1c(-c2cnn(C)c2)[nH]c2cc(F)ccc12 587635540 KCVNNFGZHARFAS-UHFFFAOYSA-N 257.268 2.910 0 1 CFAF Cc1n[nH]cc1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587875713 LDHVEOUEDURUAA-UHFFFAOYSA-N 284.250 2.515 0 1 CFAF Fc1ccc(/C=C\c2nc3cnncc3[nH]2)c(F)c1 587148932 BSJKFSATPJYRKD-RQOWECAXSA-N 258.231 2.802 0 1 CFAF Fc1ccc2c(c1)-c1cc(n(-c3nc4ccccn4n3)n1)O2 587875153 GQPBHHMERSIMPG-UHFFFAOYSA-N 293.261 2.827 0 1 CFAF c1ncc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2n1 587951063 IPOXOJFJVXJYCH-UHFFFAOYSA-N 266.304 2.951 0 1 CFAF Cc1cc(O)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1O 587944079 AHSNUEHNNLILMK-NSHDSACASA-N 298.245 2.830 0 1 CFAF O=C1C[C@]2(CCC[C@@H]2O)Oc2c1ccc1c2CCCC1 587529788 DMSGIMNNLSVWGL-RDJZCZTQSA-N 272.344 2.814 0 1 CFAF Oc1cccc2c1OCC(c1nc3ncccc3[nH]1)=C2 586908640 PKEJEUPKCLKTFZ-UHFFFAOYSA-N 265.272 2.597 0 1 CFAF CCNCc1cc([C@]2(C)CCSC(=N)N2)c(F)cc1F 1772592629 PKEKOGWSIXFEBA-AWEZNQCLSA-N 299.390 2.951 0 1 CFAF Oc1c(-c2ccsc2)nnc2nc3ccccc3n12 13803759 AUBOCXZLRUANFR-UHFFFAOYSA-N 268.301 2.712 0 1 CFAF CC[C@@H]1O[C@@]2(C)C[C@@H](S(=O)(=O)c3ccccc3)C[C@@H]1O2 5722195 KYUURSSCXNRXMX-ZQDZILKHSA-N 296.388 2.533 0 1 CFAF COc1ccc([C@H](O)c2[nH]c3ccccc3c2CCN)cc1 1857571054 HNJZXOUJNPAONX-SFHVURJKSA-N 296.370 2.759 0 1 CFAF Oc1ccc2c(c1)CCN1CCc3ccccc3[C@H]21 34633221 WKDIBUGWHRYVFS-QGZVFWFLSA-N 251.329 2.896 0 1 CFAF CC(C)C(=O)N1CCc2cc(-c3csc(N)n3)ccc21 4093225 AKPUNMZEIIAZFH-UHFFFAOYSA-N 287.388 2.937 0 3 CFAF Cc1cc(N2C(=O)[C@H]3CCCN3[C@H]2c2cccs2)no1 4121233 ASOCAEHGWMUEFW-ZWNOBZJWSA-N 289.360 2.554 0 1 CFAF O=C1[C@H]2CCCN2c2ncccc2N1Cc1ccccc1 29468460 SAVRZHSWUPNJGV-OAHLLOKOSA-N 279.343 2.597 0 1 CFAF Cc1ccccc1[C@@H]1N(c2ccccn2)C(=O)[C@H]2CCCN12 58046582 IRYWOGQGJFDHTB-WBVHZDCISA-N 293.370 2.900 0 1 CFAF CN1CCC[C@](C)(C(=O)Nc2ccc3scnc3c2)C1 61907080 HYJMPAYKTWHMDM-HNNXBMFYSA-N 289.404 2.967 0 3 CFAF Cc1cnc(OC[C@@H]2CCCN2)nc1-c1cccs1 28522749 JHJHNDHZMNGHBC-NSHDSACASA-N 275.377 2.644 0 1 CFAF Cc1ccc(C(=O)c2ccc3n2CCC[C@H]3C(=O)O)cc1 25988640 LLQOUENRDHIJSB-CYBMUJFWSA-N 283.327 2.990 0 1 CFAF Oc1n[nH]c(C(F)(F)F)c1Cc1ccc2nccnc2c1 27718664 KPIZWJIHYZVDLY-UHFFFAOYSA-N 294.236 2.668 0 1 CFAF O=C([C@H]1C[C@H]1c1ccccc1)N1CCCN(C2CCC2)CC1 113831647 GHRFAHMWKAJLGH-ROUUACIJSA-N 298.430 2.877 0 1 CFAF CC1=C(N)N(CC(=O)c2ccc(Cl)cc2)[CH]C=C1 2356862661 DNTXSVVMFJWSDA-UHFFFAOYSA-N 261.732 2.746 0 1 CFAF C/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](O)C/C(C)=C/CC1 34206577 TXSIFZZILWRCIY-VLUUFLOMSA-N 250.338 2.602 0 1 CFAF biogenic Cc1cc(C)nc(Nc2ccc3oc(=O)ccc3c2)n1 72116310 YCUMKBUUBYWUKA-UHFFFAOYSA-N 267.288 2.943 0 1 CFAF CCCCCC(=O)[C@@H]1CCc2c(c(OC)c(C)[nH]c2=O)C1 38957469 RDYRSJQBGNSXAZ-GFCCVEGCSA-N 291.391 2.946 0 1 CFAF CCOC(=O)/C=C/[C@H]1CC2(CCO1)SCCCS2 36387723 VRMDUSWZUIOYDR-ZWNMCFTASA-N 288.434 2.851 0 3 CFAF C[C@]1(c2ccco2)ON=C(c2ccc3c(c2)OCO3)O1 72118118 FVUDLBKMBOERQE-CQSZACIVSA-N 273.244 2.590 0 1 CFAF Cc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1 224882606 JMAPTHRNJHOVDP-UHFFFAOYSA-N 294.358 2.770 0 1 CFAF COc1cc(O[C@H]2CCCCC2=O)cc2oc(=O)ccc12 45496242 LUECWJLDTLOTJU-ZDUSSCGKSA-N 288.299 2.692 0 1 CFAF N=C1Sc2cc(Br)ccc2C2=NCCCN12 95574391 SHMACSZYKQCHCW-UHFFFAOYSA-N 296.193 2.942 0 1 CFAF CC(C)n1nc(-c2cc(C3CC3)on2)c2c(N)ncnc21 653771415 UEJXELMBDCXXAQ-UHFFFAOYSA-N 284.323 2.522 0 1 CFAF CCCc1sc(=N)[nH]c1-c1nc2c(C)ccnc2[nH]1 587013612 UEKNJJSXJDHQEB-UHFFFAOYSA-N 273.365 2.755 0 1 CFAF C[C@@H]1O[C@H]1c1nc2ccc(Br)cc2[nH]1 586919139 VQYCRRYNMNMPMV-SSDLBLMSSA-N 253.099 2.785 0 1 CFAF COc1cc(-c2nc3ccc(O)cc3[nH]2)cc(OC)c1O 587785441 LYIRJWDQXPHZTP-UHFFFAOYSA-N 286.287 2.658 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ncccc1F)O2 587384250 CEUYLLGSEUMCLC-INIZCTEOSA-N 286.306 2.992 0 1 CFAF Cc1cccc2[nH]c(-c3cccnc3N(C)C)nc12 587196208 TZVDNZVSMIPBFX-UHFFFAOYSA-N 252.321 2.999 0 1 CFAF CCOC(=O)Cc1c(C)nc2cccc3c2c1CC3 587213386 ZJPBBVPFSZTWRR-UHFFFAOYSA-N 255.317 2.747 0 1 CFAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(F)cnc3[nH]1)C2 586888131 WOGCAGIULIALGC-GUBZILKMSA-N 271.295 2.736 0 1 CFAF Cc1ccc2c(c1C)-c1nc3nc(O)nc(O)c3cc1C2 587561237 GEVKLTSSVCBINQ-UHFFFAOYSA-N 279.299 2.624 0 1 CFAF CC(C)(c1ccccc1)c1ccc2c(O)nc(O)nc2n1 587561040 KGQBDSFETHOYTM-UHFFFAOYSA-N 281.315 2.762 0 1 CFAF Cc1cc2nc([C@H]3CC(=O)OC3(C)C)[nH]c2cc1F 586906579 FFSKBRPAWKMGDV-MRVPVSSYSA-N 262.284 2.820 0 1 CFAF CC1([C@@]2(C)NCCc3c(C(=O)O)cccc32)CCOCC1 963128049 ZKFMMMNALZFSAL-KRWDZBQOSA-N 289.375 2.562 0 1 CFAF COc1cc([C@@H]2NCCc3c(C)ccnc32)ccc1C 963071001 IPCHBTCPCSTIDI-INIZCTEOSA-N 268.360 2.942 0 1 CFAF Cc1nc([C@]2(C)NCCc3c(C(=O)O)cccc32)cs1 963134982 VCIUOVRWPGQDQO-OAHLLOKOSA-N 288.372 2.559 0 1 CFAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cc(C)no1 963045572 HELNJQQUASWBGK-QGZVFWFLSA-N 295.342 2.775 0 1 CFAF NC(=O)c1c(F)ccc(OC2CCCCC2)c1F 1772596905 SGZIJRGQXROPIB-UHFFFAOYSA-N 255.264 2.775 0 1 CFAF CC1(C)C(NC(=O)OCCCc2c[nH]cn2)C1(C)C 13490987 CMPGZDKNYUIAPE-UHFFFAOYSA-N 265.357 2.503 0 1 CFAF CC(=O)CCN1CC[C@@H]2Nc3ccc(C)cc3[C@H]2C1 169328967 RISCVIOJXGNKSJ-ZBFHGGJFSA-N 258.365 2.558 0 1 CFAF CCOC(=O)CS[C@@H]1N=NN=[N+]1c1ccccc1 2488891 UMOXBAWMAIICHA-LLVKDONJSA-N 265.318 2.744 0 1 CFAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(F)cc1)O2 101035541 UNNABHWRKRTYKT-CRWXNKLISA-N 264.296 2.650 0 1 CFAF CCCNc1c(C(=O)OCC)c(C)nc2c1cnn2CC 26574399 IULNCNDFHPHBSC-UHFFFAOYSA-N 290.367 2.758 0 1 CFAF O=C(NCc1cccc(O)c1)c1cc2ccc(O)cc2[nH]1 27550348 GYHIRNUPEGWDCW-UHFFFAOYSA-N 282.299 2.509 0 1 CFAF COc1ccc(-c2nc3ncc(C(C)=O)cc3[nH]2)c(OC)c1 26375696 BBBXUZAFIYPKDW-UHFFFAOYSA-N 297.314 2.845 0 1 CFAF CCOc1cc(OCC)c2c(COC)cc(=O)oc2c1 27522312 XCAKNPABAQTAEJ-UHFFFAOYSA-N 278.304 2.737 0 1 CFAF CC(C)[C@@H]1CC[C@](C)(O)[C@H]2CCC(C(=O)O)=C[C@@H]12 2356580255 RDVIHOREHAICKH-ABHRYQDASA-N 252.354 2.841 0 1 CFAF CC1(C)C(=O)[C@@H]2c3ccccc3[C@H]1[n+]1ccccc12 27518623 FOIKFBKEQLCUEJ-HUUCEWRRSA-N 250.321 2.618 0 1 CFAF CO[C@@H]1CCCCC[C@@H](C)OC(=O)C=C[C@@H](O)CC1 2356801168 QLHJXXLYINWOCT-HZSPNIEDSA-N 270.369 2.595 0 1 CFAF CCC(=O)NCCc1c(O)ccc2ccc(OC)cc12 26492723 SNXLZSRHWXWEIU-UHFFFAOYSA-N 273.332 2.623 0 1 CFAF Cc1cc(N(O)[C@H]2CC=C[C@@H]2OC(C)(C)C)no1 73198843 LEXJUQCSAILFSX-QWRGUYRKSA-N 252.314 2.691 0 1 CFAF O=C(Cc1ccccc1)C[C@@H](O)Cc1ccccc1 40980810 RGWUKZCFNDLAOG-INIZCTEOSA-N 254.329 2.792 0 1 CFAF O=C(O)c1cn(Cc2ccccc2)c2cccc(F)c2c1=O 45351874 HAKVYHOVTZUCLI-UHFFFAOYSA-N 297.285 2.887 0 1 CFAF CCO[C@]1(C)CC[C@@H](C(C)C)[C@@H](O)[C@H]2[C@H]1CC[C@]2(C)O 238754814 YGOHZWXICDKWGL-MHKQFDIHSA-N 284.440 2.986 0 1 CFAF CC1(C)[C@@H]2CC[C@@]3(C)[C@@H](C2)[C@@H](C(=O)O)CC[C@@]13O 238779285 DHFKAKCKGXSZQB-YRRINSJYSA-N 252.354 2.675 0 1 CFAF C[C@@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)NCC[C@]34C)[C@@H]1CC[C@@H]2O 253633492 HSMQDJJGFZMMRG-KBQAKPBLSA-N 291.435 2.726 0 1 CFAF CC(C)c1nc(N)c2nn(-c3ccccc3)cc2n1 299824330 BRXILWZPKMNAEA-UHFFFAOYSA-N 253.309 2.521 0 1 CFAF COc1ccc2nc([C@H](N)c3ccsc3)[nH]c2c1 587025935 TUJKUYQMZRPDGL-GFCCVEGCSA-N 259.334 2.681 0 1 CFAF Oc1ncnc2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc12 587966638 JZNZUVUBEDVXJC-UHFFFAOYSA-N 282.347 2.898 0 1 CFAF Cc1ccc(OCc2nc3ccc(CCO)cc3[nH]2)cc1 587565531 LDCDMLFWSLMTNP-UHFFFAOYSA-N 282.343 2.985 0 1 CFAF Oc1nccc2nc(CNc3ccccc3Cl)[nH]c12 587061333 DRKMZIAMJNTFQR-UHFFFAOYSA-N 274.711 2.929 0 1 CFAF CC(=O)O[C@H]1CCc2nc3cccc4c3c(c2C1)CC4 587214575 SIGZLVCVRPYEGW-LBPRGKRZSA-N 267.328 2.754 0 1 CFAF O[C@H]1CC[C@@H](c2nc3ccnc(Cl)c3[nH]2)CC1 586898926 LJLQBCJUPKSKOC-OCAPTIKFSA-N 251.717 2.630 0 1 CFAF C[C@H](F)[C@@H](N)c1nc2cccc(C(F)(F)F)c2[nH]1 587123971 LVXDUKPCYKIISA-YLWLKBPMSA-N 261.222 2.940 0 1 CFAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H]1OC)CC2=O 587482113 RYYXYRCUZKUTNQ-GDBMZVCRSA-N 276.332 2.858 0 1 CFAF COC(=O)c1ccnc2[nH]c(/C=C/c3ccsc3)nc12 587025363 IXNZJKYXNCSTES-NSCUHMNNSA-N 285.328 2.976 0 1 CFAF NCCOCc1nc2ccc(Oc3ccccc3)cc2[nH]1 587246900 YLKSNXYEHMDIPO-UHFFFAOYSA-N 283.331 2.831 0 1 CFAF Cc1cc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)n(C)n1 587876307 QNENPMSKENXESJ-UHFFFAOYSA-N 298.277 2.525 0 1 CFAF OCc1ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c1 587173263 AUBOVZKCHFFEJE-HNNXBMFYSA-N 284.290 2.871 0 1 CFAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc[nH]c(=N)c3[nH]2)cc1 586892406 SDERUUMOSGXCGR-YGRLFVJLSA-N 282.347 2.516 0 1 CFAF CCn1nc(-c2nccs2)c2ccccc2c1=O 13600597 QYVWQRYQUPGYPH-UHFFFAOYSA-N 257.318 2.540 0 1 CFAF c1cncc(-c2nc3cc(-n4ccnc4)ccc3[nH]2)c1 13651252 KPJRUBUSISNODS-UHFFFAOYSA-N 261.288 2.811 0 1 CFAF COc1c([C@H](C)N(O)C(N)=O)sc2ccccc12 114038 QCJLSLKIBCZLRS-ZETCQYMHSA-N 266.322 2.741 0 1 CFAF c1ccc2c3c(c(N4CCNCC4)nc2c1)CCCC3 1658450 DGXBGJYAAYUXTF-UHFFFAOYSA-N 267.376 2.523 0 1 CFAF CO[C@H]1CC(COCc2ccccc2)C[C@H](OC)O1 1861649 PXFKOSQMSTUDRQ-HUUCEWRRSA-N 266.337 2.575 0 1 CFAF Cc1ccc(C2=CC(NC(C)(C)C)=NCCN2)c(F)c1 101068719 MSMNVOOHUXHQTH-UHFFFAOYSA-N 275.371 2.865 0 1 CFAF Cc1[nH]n(-c2ccccc2)c2nc(=O)c(C)c(C)c1-2 103921076 GHALRIXGIMMVDH-UHFFFAOYSA-N 253.305 2.591 0 3 CFAF O=C1[C@@H]2CCCC[C@H]2C(=O)N1Nc1ccc(Cl)cc1 101691960 KCYHMOORWZPAGJ-VXGBXAGGSA-N 278.739 2.842 0 1 CFAF CCOC(=O)C1=C(O)/C(=C\c2cccc(OC)c2)N=C1C 101748921 BYIAIDQKQDTPIY-UKTHLTGXSA-N 287.315 2.886 0 1 CFAF NC1=N[C@@H](c2ccc(F)cc2)Cc2cccc(F)c21 25976275 LCRLDHTZCMPEPS-CYBMUJFWSA-N 258.271 2.968 0 1 CFAF C[C@@H](C(=O)OC1C[C@@H]2CC[C@H](C1)N2C)c1ccc(N)cc1 29463720 VGTWZPYFVWEXBL-YGOACVGDSA-N 288.391 2.541 0 1 CFAF CCc1cc2n(c1C(=O)c1ccccc1)CC[C@@H]2C(=O)O 27903936 VHFOHRWLWQSGMY-ZDUSSCGKSA-N 283.327 2.853 0 1 CFAF NNc1nnc(-c2cccc(C(F)(F)F)c2)s1 28001835 QYZVSPPKBICHEN-UHFFFAOYSA-N 260.244 2.510 0 1 CFAF C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)OCC4=C3C=C[C@@]21C 33806575 NZWFKVWCAKLIHV-WCZJQEMASA-N 286.371 2.913 0 1 CFAF COc1ccc(-c2nc(CNC[C@H]3CCCO3)co2)cc1 72183739 UAWQVJMZULUOAR-OAHLLOKOSA-N 288.347 2.619 0 1 CFAF C=CC1=C(C(=O)NCCC)[C@@H](c2ccc(F)cc2)OC1 73223456 DGJZAETYFCLAHF-OAHLLOKOSA-N 275.323 2.906 0 1 CFAF Cc1c(-c2ccnc(N)n2)sc2ccc(CN)cc12 49793723 LUCWOKPQXXZYPO-UHFFFAOYSA-N 270.361 2.708 0 1 CFAF CNC(=O)[C@H](Sc1ccc(Cl)cc1)c1csnn1 40753788 IVYMRUUKILTRQU-SNVBAGLBSA-N 299.808 2.771 0 1 CFAF Cc1ccc(N2C(=S)NC(=O)C23CCCC3)cc1 95872939 KZKSTIXILCNRGB-UHFFFAOYSA-N 260.362 2.529 0 1 CFAF C=CS(=O)(=O)N(C)CCc1cc(C2CCCCC2)no1 618018345 YMBWTIQXWFUPLS-UHFFFAOYSA-N 298.408 2.670 0 1 CFAF Oc1c(Cc2ccccc2)c(Cl)cc2ncnn12 299840152 USEBHKMRKGXHNH-UHFFFAOYSA-N 259.696 2.679 0 1 CFAF CS(=O)(=O)c1ccc(Cc2nc3ccccc3[nH]2)cc1 653709032 MLVHLKAOISUFRH-UHFFFAOYSA-N 286.356 2.557 0 1 CFAF N=c1cc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2c[nH]1 587095345 FCRKTIZUFXTRID-UHFFFAOYSA-N 293.252 2.638 0 1 CFAF CC/C(=C/c1nc2c(O)nc(=N)[nH]c2[nH]1)c1ccc(C)cc1 587966575 JAICXROLLAAQRI-NTMALXAHSA-N 295.346 2.730 0 1 CFAF COc1cc2c3c(c1)O[C@]1(C=COC1(C)C)[C@@H](C2)C3=O 587455445 MQYPXEPMWATYTJ-MEDUHNTESA-N 272.300 2.504 0 1 CFAF CC(=O)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587816135 URFHGVINOSASIT-INWYIAFRSA-N 286.144 2.753 0 1 CFAF CNC(=O)[C@H]1C[C@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1 587234660 HVKTVZUEVIJMDN-MNOVXSKESA-N 271.364 2.710 0 1 CFAF CC[C@@H]1OCCC[C@@H]1c1nc2c(S)nc(S)nc2[nH]1 586910217 GYJXJSSLWQBPSJ-BQBZGAKWSA-N 296.421 2.603 0 1 CFAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cccnc2[nH]1 587088889 UKFOARWPGGSVSL-QMMMGPOBSA-N 264.279 2.708 0 1 CFAF COc1ccc([C@H](N)N=O)cc1OC1CCCC1 957756737 LHJQBPHCHSTXMQ-CYBMUJFWSA-N 250.298 2.740 0 1 CFAF NC(=O)c1ccc(CCCO)c(-c2ccc(F)cc2)c1 1857594821 QDVRUQCYYCVULV-UHFFFAOYSA-N 273.307 2.517 0 1 CFAF Cc1cccc(CNC(=O)n2c(N)nc3ccccc32)c1 1772619978 TUZQFAZEGHTRNO-UHFFFAOYSA-N 280.331 2.685 0 1 CFAF NCc1cc(-c2cccnc2)ncc1C(F)(F)F 1772637005 PSZZXBDPDMURTK-UHFFFAOYSA-N 253.227 2.621 0 1 CFAF CN1C(=S)[C@H](C(=O)Nc2ccccc2)c2cccnc21 13737576 XSWFYMGWWIUBBO-LBPRGKRZSA-N 283.356 2.581 0 1 CFAF c1cc(N2CCN(CC3CC3)CC2)c2occc2c1 13738328 QNQBPFKLNPYXFW-UHFFFAOYSA-N 256.349 2.965 0 1 CFAF CC(=O)Nc1ccc(C(=O)Nc2ccc(C)cc2N)cc1 208248380 HRMBUIZWNJTBSE-UHFFFAOYSA-N 283.331 2.788 0 1 CFAF Cc1cccc(Nc2c3c(nc4nncn24)CCC3)c1C 6742944 VOOYFRKNQZWMQK-UHFFFAOYSA-N 279.347 2.973 0 1 CFAF CC1=CC2=N[C@@H](Nc3ccc(F)c(Cl)c3)SN2N1 100475369 UVTHJJXICOBXSJ-LLVKDONJSA-N 284.747 2.959 0 3 CFAF O[C@@]1(Cc2ccc(Cl)cc2)c2ccccc2C2=NCCN21 26255821 FNLMEDGQBVFDCQ-KRWDZBQOSA-N 298.773 2.804 0 1 CFAF CCNC1CN([C@@H]2c3ccccc3COc3ccccc32)C1 39236472 FCIVANGZCVWPNQ-LJQANCHMSA-N 294.398 2.962 0 1 CFAF CCCOCCNC(=O)NC12CC3CC(CC(C3)C1)C2 72112321 XFRRLBJRMNUQNL-UHFFFAOYSA-N 280.412 2.681 0 1 CFAF CN1CCCN(C)P1(=O)c1ccc(C(F)(F)F)cc1 1911584372 KUJVHMPLBKZHRJ-UHFFFAOYSA-N 292.241 2.791 0 1 CFAF Oc1ccc2[nH]c3c(C4=CCCN4)nccc3c2c1 238739633 BFMMYFPWYUOXBW-UHFFFAOYSA-N 251.289 2.756 0 1 CFAF O[C@H](c1nc2cccnc2[nH]1)c1ccccc1Cl 587059544 RXHXTFOWIGAMRG-NSHDSACASA-N 259.696 2.693 0 1 CFAF CCOc1cc(-c2nc3cncnc3[nH]2)ccc1C 587777512 AAIYKHYSDHNJTF-UHFFFAOYSA-N 254.293 2.727 0 1 CFAF FC(F)(F)c1cccc2nc(C[C@@H]3COCCO3)[nH]c12 586910379 OROWILFNZQBHAB-MRVPVSSYSA-N 286.253 2.540 0 1 CFAF COc1c(F)ccc(F)c1-c1nc2cncc(OC)c2[nH]1 587133294 RTBXPMSBOCIKOM-UHFFFAOYSA-N 291.257 2.920 0 1 CFAF CCC(=O)C[C@]1(C)NCCc2cnc3c(OC)cccc3c21 963048997 ACQOWXMNHSJEET-SFHVURJKSA-N 298.386 2.974 0 1 CFAF CSC1([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)CCC1 962897615 LAZMYVYPEXPDIE-AAEUAGOBSA-N 295.379 2.751 0 1 CFAF CN1CCN(C(=S)Sn2ccc3ccccc32)CC1 1857579318 SCTPESVDCKIFLD-UHFFFAOYSA-N 291.445 2.670 0 1 CFAF COC(C/C=C/[C@H](O)[C@H](C)OCc1ccccc1)OC 12477793 VQFCTNUGJJZSHM-FMAWOHHVSA-N 280.364 2.518 0 3 CFAF COc1cc(OC)c(C(=O)CC(C)C)c(O)c1C 14593829 ZURAUFDZHSQTPJ-UHFFFAOYSA-N 252.310 2.947 0 1 CFAF Cc1noc(C)c1CN(C)Cc1[nH]nc2c1CCCCC2 19229057 YHAMLKPIMIQNKO-UHFFFAOYSA-N 288.395 2.915 0 1 CFAF CCc1ccc(C(=O)Nc2ccc3nc(=N)[nH]cc3c2)cc1 1857574330 JAJRMRHTTVADTH-UHFFFAOYSA-N 292.342 2.857 0 1 CFAF CCC(=O)c1ccccc1OC[C@H](O)CN1CCCCC1 13529174 PWRSYYZDBDKVDF-CQSZACIVSA-N 291.391 2.505 0 1 CFAF O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccccc1 116176721 DOBGWKGFNDENMU-MRXNPFEDSA-N 282.343 2.600 0 1 CFAF CCCN(CCC)[C@H]1Cc2c[nH]c3ccc(C(N)=O)c(c23)C1 1851130 YTOJFUORFUYGSV-ZDUSSCGKSA-N 299.418 2.856 0 1 CFAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CCC[C@@]3(C)[C@@](C)(C4)[C@]21O 2356372910 ORWWLYZBBATSFI-WEXZEQGHSA-N 264.365 2.650 0 1 CFAF CC(C)Sc1ccc2c(c1)[C@H](O)[C@H](N)CCC2 26649819 LEXUCCXFMRYCES-KGLIPLIRSA-N 251.395 2.884 0 1 CFAF CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cn[nH]c3)c2C1 29054346 VWGDKTMNUZJXMJ-VIFPVBQESA-N 288.351 2.801 0 1 CFAF COC(=O)C=Cc1ccc(O)c([C@H](O)C=C(C)C)c1 2356540698 HEBLJHRRZWQRCF-CQSZACIVSA-N 262.305 2.578 0 1 CFAF CCO[C@@H]1CCc2oc3cc(C)cc(O)c3c(=O)c21 2356588218 MAEWUBAZNLCIAE-SNVBAGLBSA-N 260.289 2.831 0 1 CFAF CC1=C[C@H](O)C[C@H](C)C(=O)C[C@H](C(C)C)C(=O)C1 2356684722 WLHCFOUGUVMPPJ-RWMBFGLXSA-N 252.354 2.524 0 1 CFAF CCCN[C@@H]1CCc2c(C(=O)OC)cccc2[C@@H]1C 27744326 IKYFNUXRYHSJTJ-XHDPSFHLSA-N 261.365 2.891 0 1 CFAF O=C1C=CC[C@@H](C/C=C/[C@@H](O)CCc2ccccc2)O1 64391120 MAAVAEOPUSPYQO-DUIXZTDISA-N 272.344 2.798 0 1 CFAF Cc1noc(Cc2cccc3c2CC[C@H]3c2ncc[nH]2)n1 40822888 SMVZMECQHCYTNA-CQSZACIVSA-N 280.331 2.770 0 1 CFAF CC(C)(C)C(=O)CSc1cnnn1-c1ccccc1 49035227 GBYJELSICVYLDA-UHFFFAOYSA-N 275.377 2.975 0 1 CFAF O=C1N(C[C@@H]2CCCNC2)CCN1c1cccc(Cl)c1 49054322 FRYFTASOYSPSFB-GFCCVEGCSA-N 293.798 2.582 0 1 CFAF CCc1cccc(Nc2cnccc2NS(C)(=O)=O)c1 49113211 ZLLFDDWDIHEBRO-UHFFFAOYSA-N 291.376 2.759 0 1 CFAF CSc1ccc2[nH]c(/C=C/C=C\C(=O)O)nc2c1 587968674 NRGLIJHEJONKNP-HZDAAVBUSA-N 260.318 2.939 0 1 CFAF CC[C@H](O)c1nc2c(Br)cnc(Cl)c2[nH]1 586900789 MRZSCBNPPBUFFR-YFKPBYRVSA-N 290.548 2.817 0 1 CFAF O=C1C[C@H](C2[C@@H]3COC[C@@H]23)Oc2c1ccc1c2CCCC1 587536257 SUXDOYGOKGUFRS-IIAWOOMASA-N 284.355 2.792 0 1 CFAF CN(C)CCn1ccc2ccc(C3=CCN(C)CC3)cc21 13587954 DDFMBYITCXTTPH-UHFFFAOYSA-N 283.419 2.922 0 1 CFAF CCCCCC[C@]1(c2ccccc2)NC(=O)NC1=O 13797020 QUCQUPBUCULYGF-OAHLLOKOSA-N 260.337 2.692 0 1 CFAF in-vivo COc1ccc2nc(C)[nH]c(=O)c2c1Sc1ccncc1 13826159 IDCGBCGEKKOBFY-UHFFFAOYSA-N 299.355 2.786 0 1 CFAF Cc1ccc(-c2ccc(C(=O)n3cncn3)o2)cc1 200034669 GQGOFMQNEKOZBA-UHFFFAOYSA-N 253.261 2.535 0 1 CFAF COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 14635284 KFMXRGXNQZECTP-IAGOWNOFSA-N 297.354 2.605 0 1 CFAF COc1ccc(-c2oc3ccc(N)cc3c(=O)c2O)cc1 58655648 AWZPMGGFOIVBPP-UHFFFAOYSA-N 283.283 2.756 0 1 CFAF O=C(N[C@H]1CO[C@H](c2ccccc2)OC1)c1ccccc1 101431435 SFMOMCUGUPBYFM-WOVMCDHWSA-N 283.327 2.531 0 1 CFAF COC1=C(SC)/C(=C\N=O)NC(c2ccccn2)=C1 100304702 FXPSZLHFJDHOMI-DHZHZOJOSA-N 275.333 2.855 0 1 CFAF in-vitro CN1[C@@H]2CC[C@@H]1CC(OC(=O)c1cc3ccccc3[nH]1)C2 101634898 QTFIZODIXAOVBD-CHWSQXEVSA-N 284.359 2.950 0 1 CFAF Cc1cc(O)c(C(=O)Cc2ccc(O)cc2)cc1O 64560631 DCKSXPSVGHXKKZ-UHFFFAOYSA-N 258.273 2.537 0 1 CFAF CC[C@H](C)C(=O)C(=O)NCCc1c[nH]c2cc(F)ccc12 28766407 UOTAYQKJPDZBFO-JTQLQIEISA-N 290.338 2.581 0 1 CFAF Cc1cc2cc3c(N)c(C(N)=O)sc3nc2cc1C 35288731 JOFDQWLIRSZHPK-UHFFFAOYSA-N 271.345 2.747 0 1 CFAF Cc1ccc(N2C(=S)SC[C@@]23COC(=O)C3)cc1 71341687 QGPOKRRBSAOUFN-CYBMUJFWSA-N 279.386 2.519 0 1 CFAF Cc1c2n(c3ccccc13)CC[C@@H]1[C@H]2N(C)CCN1C 40712405 YKAJDELWEFYBED-NVXWUHKLSA-N 269.392 2.640 0 1 CFAF Cc1ncccc1-c1nc2cccc(C)c2c(=O)o1 43011216 RRDYOHMRWKWROG-UHFFFAOYSA-N 252.273 2.867 0 1 CFAF Cc1nn(-c2ccc(Cl)cc2)c(=O)c2c(N)scc12 84671617 BTCQHEGMXVIGOJ-UHFFFAOYSA-N 291.763 2.991 0 1 CFAF COC[C@@H](C)Nc1cc(-c2ccccc2F)ncn1 82162457 QXCMHWZLRJMWIW-SNVBAGLBSA-N 261.300 2.730 0 1 CFAF Cc1cnc(N2CCSCC2)nc1NCCC(C)C 82201949 QGYJDBDPCBENSO-UHFFFAOYSA-N 280.441 2.796 0 1 CFAF CNc1ccc([C@](C)(O)c2ncnc3ccccc23)cc1 199275058 JMNOMTQAYXZADJ-KRWDZBQOSA-N 279.343 2.927 0 1 CFAF COC(=O)c1c2ccc(C)c3c(c-2oc1=O)[C@@H](C)CC3 238786971 LSKKAYJKKXOCKE-VIFPVBQESA-N 272.300 2.889 0 1 CFAF CC(C)(C)OC(=O)n1ncc2ccc(Cl)cc2c1=O 587653143 QPGKPRHTCIZREN-UHFFFAOYSA-N 280.711 2.833 0 1 CFAF Oc1ncnc2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc12 587087159 IKPCDESXCNPKHP-UHFFFAOYSA-N 285.694 2.860 0 1 CFAF COc1cc(C)c(N)c(-c2nc3ccc(CCO)cc3[nH]2)c1 587250551 YNPPNRTXYBKQMD-UHFFFAOYSA-N 297.358 2.664 0 1 CFAF CC(C)[C@@](C)(O)c1nc2cncc(Br)c2[nH]1 586887922 JUTUWQZBMYAFQZ-LLVKDONJSA-N 284.157 2.584 0 1 CFAF Oc1c(Br)ccc2nc(CC3CC3)[nH]c12 587959043 LIJMSNRFGWSKOG-UHFFFAOYSA-N 267.126 2.984 0 1 CFAF Oc1ccc2c(c1)[C@@H](c1ccc(Br)[nH]1)NCC2 963353025 ORHYULRDJWWHJV-ZDUSSCGKSA-N 293.164 2.718 0 1 CFAF Oc1ncc([C@H]2NCCc3cccc(Cl)c32)s1 963390156 GDXIOHYNQMRWEJ-LLVKDONJSA-N 266.753 2.737 0 1 CFAF CC(=O)C[C@]1(CC(C)C)NCCc2ccc(O)cc21 963340040 FITPDFJXQSDKQT-INIZCTEOSA-N 261.365 2.758 0 1 CFAF COc1cc([C@H]2NCCc3c(C)ccnc32)ccc1C 963071023 IPCHBTCPCSTIDI-MRXNPFEDSA-N 268.360 2.942 0 1 CFAF COc1cc([C@H]2COc3cc(O)ccc3C2)ccc1O 14811610 BMADVHDZKAZTNF-GFCCVEGCSA-N 272.300 2.825 0 1 CFAF endogenous,in-man CC(=O)[C@H]1[C@H](C(C)=O)C[C@H](O)C2=CCC[C@H](C)[C@]21C 2356467519 ULYNRVYLRQWJPH-IQTKDTSISA-N 264.365 2.524 0 1 CFAF N#CN1CC[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1 3964773 CCMLFCPHJPWXFB-QGZVFWFLSA-N 291.354 2.639 0 1 CFAF Cc1ccc(O[C@H](C)[C@@H](O)CNC(C)(C)C)cc1C 28227895 CLPPOWPFUZBPDZ-HIFRSBDPSA-N 265.397 2.820 0 1 CFAF Cc1cc(=O)[nH]c2cc(Nc3ccncc3C(=O)O)ccc12 103197924 DSMNHJGONQPHNP-UHFFFAOYSA-N 295.298 2.673 0 1 CFAF CCCC[C@H](C=C[C@H]1CC=CC(=O)O1)OC(C)=O 2356545164 NIMODSMHVSSGLL-CHWSQXEVSA-N 252.310 2.536 0 1 CFAF CCC[C@H]1Cc2c3c(c(C)c(C)c2C1=O)O[C@@H](C(=O)O)C3 28001050 YFPVFXGNKSWLKA-GXFFZTMASA-N 288.343 2.847 0 1 CFAF O=C(Oc1cccc(Cl)c1)N1CCN2CCC1CC2 34003547 RSRIXGQNDDWCGV-UHFFFAOYSA-N 280.755 2.619 0 1 CFAF COC1=CC(c2ccc[nH]2)=N/C1=C\NCCC(C)C 49111322 OTWGLVDGDXPWNV-UVTDQMKNSA-N 259.353 2.825 0 1 CFAF Fc1ccc([C@H]2Cc3nccn3C2)c(-c2cncnc2)c1 40378956 LOWJTSZIULCLQH-NSHDSACASA-N 280.306 2.819 0 1 CFAF CN(C)c1cccc(-n2cnc3c(Cl)ncnc32)c1 82156852 IUDVIGAJZAHZLJ-UHFFFAOYSA-N 273.727 2.535 0 1 CFAF C[C@@H](O)CCCCC[C@@H]1OC(=O)Cc2cc(O)cc(O)c21 45347743 LWACOKGHBDKWPN-YGRLFVJLSA-N 294.347 2.570 0 1 CFAF COc1cc(O)c(C(=O)O)c(CCc2ccc(O)cc2)c1 238737302 XGDZVAYFJCNYCG-UHFFFAOYSA-N 288.299 2.590 0 1 CFAF COC(=O)C1=CC[C@](C)([C@@](C)(O)C/C=C/C(C)(C)O)CC1 95909799 QCLBMEWHUVHURX-ICHOQEBTSA-N 296.407 2.744 0 1 CFAF biogenic,in-vitro COc1ncc(F)cc1-c1nc2c(Cl)cncc2[nH]1 587176442 UVOFTCHHGUGGLC-UHFFFAOYSA-N 278.674 2.821 0 1 CFAF COC(=O)CC[C@H](C(C)=O)c1cc2c3c(cccc3n1)CC2 587215058 ZTDYTVZSKIPVSO-CQSZACIVSA-N 297.354 2.959 0 1 CFAF Cc1cc2nc(C3=C(N)C(C)(C)OC3=O)[nH]c2cc1Cl 587255156 GERGRPSRUHJQSP-UHFFFAOYSA-N 291.738 2.530 0 1 CFAF Nc1cc(C(=O)O)cc(-c2nc3cc(F)cc(F)c3[nH]2)c1 587249930 SVRROACPMMTJIT-UHFFFAOYSA-N 289.241 2.789 0 1 CFAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cncc(Cl)c2[nH]1 587963816 TZFGFCXBLTUADK-HTQZYQBOSA-N 263.728 2.769 0 1 CFAF N[C@@H](N=O)c1ccc2nc([C@@H]3CCCC(=O)CC3)[nH]c2c1 586883644 CUKBDQATNNXDLE-OTYXRUKQSA-N 286.335 2.903 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1scnc1C)[C@@H](C2)C3=O 587454503 XTQOVMRJXILQGW-HZMBPMFUSA-N 287.340 2.949 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccnc(F)c1)[C@@H](C2)C3=O 587426382 CWPDDSJEFZWHMN-MEDUHNTESA-N 285.274 2.718 0 1 CFAF Cc1cc2[nH]c(CCC(=O)c3ccc(N)cc3)nc2c(C)n1 587251616 JYRDKLFQWNFDCQ-UHFFFAOYSA-N 294.358 2.972 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1csnc1C)[C@@H](C2)C3=O 587451793 KRURBPWJHCNOJT-BONVTDFDSA-N 287.340 2.949 0 1 CFAF NC(=O)c1ccccc1[C@H]1NCCc2cccc(Cl)c21 963392100 XTFPJNSCFFEARI-OAHLLOKOSA-N 286.762 2.674 0 1 CFAF O[C@H](C[C@@H]1c2ccccc2-c2cncn21)c1cccnc1 203789676 JNVJGLYGJXLWMV-NVXWUHKLSA-N 277.327 2.972 0 1 CFAF COc1cc(O)c2c(c1)O[C@H]1c3ccc(O)cc3OC[C@H]21 14820522 RUSDVGLVSNJFOG-BZNIZROVSA-N 286.283 2.716 0 1 CFAF CC[C@@]1(C)SC(NC2C(C)(C)C2(C)C)=NC1=O 14978729 WDCSIJCNNMQBAJ-CYBMUJFWSA-N 254.399 2.809 0 1 CFAF COc1ccc(Cc2c(=O)[nH]nc3ccccc23)cc1 17210195 JGNMWWOOQATAQC-UHFFFAOYSA-N 266.300 2.523 0 1 CFAF COc1cc2c(c3oc(=O)ccc13)CCC(C)(C)O2 169311938 FFEMDYNYWWCISJ-UHFFFAOYSA-N 260.289 2.905 0 1 CFAF CCN(CC)CC(=O)N(CC)c1c(C)cccc1C 27650037 ZZIWCQKWFNWKEZ-UHFFFAOYSA-N 262.397 2.998 0 1 CFAF CC(=O)CCN(C(=O)c1ccccc1)C(=O)c1ccccc1 28222099 IECTWSNLKAIINW-UHFFFAOYSA-N 295.338 2.948 0 1 CFAF COC(=O)C1=C[C@@H]2[C@H]([C@H](C)CO)CC[C@@H](C)[C@H]2CC1 2356430048 CFSREXCFEGBBPB-YXRJLALLSA-N 266.381 2.787 0 1 CFAF Oc1c2nc3ccc(F)cc3c-2ncn1C[C@@H]1CCCO1 101740909 NUZQTVOKVMWKFP-JTQLQIEISA-N 287.294 2.560 0 1 CFAF CC1CCC(O)(c2nnc(-c3ccccc3)[nH]2)CC1 103193156 VYUJZGYJGXCVSE-UHFFFAOYSA-N 257.337 2.869 0 1 CFAF C[C@H](/N=c1\c(O)c(O)\c1=N/c1ccccc1)C(C)(C)C 28223854 CGDBDWWYBCEOMR-KLHYHWCFSA-N 272.348 2.541 0 1 CFAF CCC[C@@H]1[C@H](C)C[C@](O)(CC)[C@@H]1[C@]1(CC)OC(=O)C[C@H]1O 2356640441 BSZWGEKCCWIUCC-GTIXAXMVSA-N 298.423 2.656 0 1 CFAF C[C@@H]1C(=O)O[C@@H]2C[C@@H]3C(=O)CC[C@H](C)[C@]3(C)C[C@H]12 2356801272 RLDRZSAZEAWMSP-AXLZNEFFSA-N 250.338 2.579 0 1 CFAF CC1=C2C[C@]3(C)[C@@H](C)CCC[C@@H]3C[C@]2(O)OC1=O 38255992 QKYLNUXCPSRUNA-PVRXDPTQSA-N 250.338 2.785 0 1 CFAF O=C1N=C(O)/C(=C/c2sccc2Br)N1 73297421 SXWBWYKEMLNJES-HYXAFXHYSA-N 273.111 2.531 0 1 CFAF OCc1cccc(-c2nc3cc(Cl)ncc3[nH]2)c1 586895093 OJPAVBNVXUNHNG-UHFFFAOYSA-N 259.696 2.771 0 1 CFAF Cn1cc(-c2nc3cnccc3[nH]2)c(C(F)(F)F)c1 587115389 MNGVEANHBPMZGJ-UHFFFAOYSA-N 266.226 2.982 0 1 CFAF C=CC(=O)NC(C)(C)c1c(C)[nH]c2c(C(=O)O)cccc12 587639021 YQUANTLGFPXWPC-UHFFFAOYSA-N 286.331 2.712 0 1 CFAF O=C(/C=C/c1nc2cccc(O)c2[nH]1)Nc1ccccc1 587245045 VBWKFGCCFZNACV-MDZDMXLPSA-N 279.299 2.920 0 1 CFAF O=C(O)c1ccccc1/C=C\c1nc2ccnc(O)c2[nH]1 586879151 JBLDESJSLMOCBS-WAYWQWQTSA-N 281.271 2.532 0 1 CFAF Cc1ccccc1C(C)(C)c1nc2ncc[nH]c-2n1 587955353 NRTIGVJKVXFNGX-UHFFFAOYSA-N 252.321 2.939 0 1 CFAF COc1c(F)ccc(-c2nc3ccc(O)cc3[nH]2)c1N 587133695 ZWYWXGGKSHAWAH-UHFFFAOYSA-N 273.267 2.665 0 1 CFAF Cc1ccnc2c1CCN[C@H]2c1ccnc(Cl)c1F 963083595 DAIQKLURNPUWEF-ZDUSSCGKSA-N 277.730 2.813 0 1 CFAF CC(=O)OC[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 13579454 HJKKWIJTYBPLCJ-UKRRQHHQSA-N 281.783 2.938 0 1 CFAF C[C@@H](O)C[C@H]1C=CC[C@@H](C[C@@H](O)c2ccccc2)N1C 14695417 OLFGPECRQXQUAG-MXASKKJJSA-N 275.392 2.510 0 1 CFAF biogenic,in-vitro C[C@@H]1C/C=C\CCC(=O)N[C@H](c2ccccc2)COC1=O 169294626 AFIXJTADPDHGEE-GOXQEFCWSA-N 287.359 2.763 0 1 CFAF CCN(CC)CC[C@](CC(C)C)(C(N)=O)c1ccccn1 27520920 SJVQIKNCKWJQLG-QGZVFWFLSA-N 291.439 2.583 0 1 CFAF O=C(NC1CCCC1)[C@@H]1CC(=O)N(C2CCCCCC2)C1 219073 YJKUNCAHXXAAMQ-CYBMUJFWSA-N 292.423 2.617 0 1 CFAF CC(=O)N(C1=NCCCS1)c1ccc(F)cc1 1327921 LLJNLTCWTTZGSK-UHFFFAOYSA-N 252.314 2.672 0 3 CFAF CO[C@@]12C=C[C@@H](CC1=O)c1c(F)c(F)c(F)c(F)c12 1504624 HTGDEGJCHPJUJS-QSGQRGAGSA-N 272.197 2.711 0 1 CFAF CC(C)(C)NC1=NCCNC(c2ccccc2F)=C1 101073863 NGDRNYJZVVTUJC-UHFFFAOYSA-N 261.344 2.556 0 1 CFAF CCCC[C@]12C[C@]1(C(N)=O)C(=O)Nc1ccc(Cl)cc12 101056215 XGIVVAMNUVRXLF-CABCVRRESA-N 292.766 2.596 0 1 CFAF Cc1nc(NCc2ccccc2)nc(C(F)(F)F)n1 103285239 CIHFTSMKZGYLCG-UHFFFAOYSA-N 268.242 2.811 0 1 CFAF [O-][N+]1=CC(c2cc3ccccc3o2)=[N+]([O-])[C@H]2CCCC[C@@H]21 101183427 PEQPGPBZDAYBSK-STQMWFEESA-N 284.315 2.638 0 1 CFAF CC(C)C[C@@H](N)[P@](=O)(O)C(=O)Nc1ccccc1 28702394 UCLZFXIUMLGFDV-NSHDSACASA-N 270.269 2.820 0 1 CFAF COC(=O)C1=C(c2ccc(Cl)cc2)[C@@H]2CC[C@H]1O2 28825726 QAWMAJZYTBWZOZ-WDEREUQCSA-N 264.708 2.828 0 1 CFAF O[C@@H]1c2cc(Cl)ccc2S[C@H]1Cn1ccnc1 27415731 RJHFKKKOUBPXBG-NWDGAFQWSA-N 266.753 2.744 0 1 CFAF CS[C@@H]1Nc2cc(Br)ccc2C1=O 2356535423 YTQXYTLPQKLTGY-VIFPVBQESA-N 258.140 2.746 0 1 CFAF O=C(C=CCCc1ccc2c(c1)OCO2)N1CCCC1 2356732588 XZTCTKKANUDQCW-UHFFFAOYSA-N 273.332 2.527 0 1 CFAF CO[C@]12C(=O)CC[C@@]1(CO)[C@H]2[C@@H](C)CCC=C(C)C 35049781 JPGKNTGSYJQPOQ-XZDPQHSOSA-N 266.381 2.726 0 1 CFAF N[C@H](c1ccccc1)[P@@](=O)(O)Oc1ccccc1 49089781 YFMCMTKMORZIAD-ZDUSSCGKSA-N 263.233 2.908 0 1 CFAF O=C(CCCCCCc1ccccc1)N[C@H]1CCOC1=O 40913525 XBASIAYDUDISLY-HNNXBMFYSA-N 289.375 2.611 0 1 CFAF CCCNC(=O)/C=C/C=C/c1ccc2c(c1)OCO2 40937337 DPXAATAFNIAPIL-GGWOSOGESA-N 259.305 2.511 0 1 CFAF O[C@@]1(C(F)(F)F)c2ccccc2-c2ncccc21 144678901 DSCLAQNLQSJBSP-LBPRGKRZSA-N 251.207 2.860 0 1 CFAF O=C1NC(=S)N(Cc2ccccc2)C12CCCCC2 95872947 BQQHCVLXVMYCCF-UHFFFAOYSA-N 274.389 2.606 0 1 CFAF O=C1C[C@@H](c2ccc(O)cc2O)Oc2cccc(O)c21 653762946 KGBOMXPLTHHFOD-AWEZNQCLSA-N 272.256 2.510 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cn1cnc(C)c1C)O2 587392407 ZIEJCYBROUQAHY-KRWDZBQOSA-N 299.374 2.815 0 1 CFAF FC(F)(F)[C@H]1C[C@@H]1c1nc2nc(Cl)c[nH]c-2n1 587092167 AYDFBTLNFHZADP-IMJSIDKUSA-N 262.622 2.624 0 1 CFAF Oc1nc(O)c2ccc([C@@H]3C[C@H]3c3ccccc3)nc2n1 587562181 RDGGDSRVTFWGOX-NWDGAFQWSA-N 279.299 2.707 0 1 CFAF Cc1nccc2[nH]c(-c3cc(F)cc(F)c3O)nc12 587134384 QPENQEXVNJYRMG-UHFFFAOYSA-N 261.231 2.917 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(F)n1)O2 587388047 ZQJFAGRJGZQRAG-ZDUSSCGKSA-N 272.279 2.818 0 1 CFAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc(=N)[nH]cc2[nH]1 587169518 YEXOIWPLTYPHEW-MRVPVSSYSA-N 272.283 2.650 0 1 CFAF Cc1nccc2[nH]c(C(F)(F)c3ccccn3)nc12 587090421 QEXQBAWNPIOTJT-UHFFFAOYSA-N 260.247 2.801 0 1 CFAF CNC(=O)[C@@H]1C[C@@H]1c1nc2cc3ccccc3cc2[nH]1 587235127 LNPQKWAYVPJFBP-NWDGAFQWSA-N 265.316 2.566 0 1 CFAF COc1ccc(C=O)cc1-c1nc2cccc(O)c2[nH]1 587788147 XSLKOCOPTGAXOF-UHFFFAOYSA-N 268.272 2.757 0 1 CFAF CN(C)CCCc1nnc(Nc2ccc(Cl)cc2)o1 1857768217 SXFDLHASAAXTFS-UHFFFAOYSA-N 280.759 2.961 0 1 CFAF CC(C)=CCc1c(O)cc2c(c1O)C(=O)O[C@H](C)C2 13459864 CKMVXXQCWONCIA-SECBINFHSA-N 262.305 2.708 0 1 CFAF COc1ccc(SC(=O)c2cccc(C=O)n2)cc1 13487713 IMYQJYHMZLWNMX-UHFFFAOYSA-N 273.313 2.835 0 1 CFAF C[C@H](Cc1ccnc(NC(N)=O)c1)c1ccccc1 167107514 UVRSOOXLDMWIOH-LLVKDONJSA-N 255.321 2.918 0 1 CFAF O=C(O)Cc1cccc2c1Oc1ccccc1CC2=O 27551911 KYWGSZDXOCOMPH-UHFFFAOYSA-N 268.268 2.845 0 1 CFAF COc1cccc2c1CCC[C@@H]2CCCN1CCNCC1 29479708 UKIXOQAGPABIPX-OAHLLOKOSA-N 288.435 2.801 0 1 CFAF COc1ccc(CCc2nc(C(F)(F)F)cc(=O)[nH]2)cc1 28377529 UODSYYKHDOZKNE-UHFFFAOYSA-N 298.264 2.583 0 1 CFAF FC(F)(F)c1ccn2c(-c3ccnc(Cl)n3)cnc2n1 28569977 KVTRKSLNWMZSSN-UHFFFAOYSA-N 299.643 2.859 0 1 CFAF CC(=O)O[C@@H]1C[C@](C)(CO)[C@H]2CCc3ccoc3[C@]2(C)C1 2356489241 PYULQCRCTVJQMH-MUIFIZLQSA-N 292.375 2.824 0 1 CFAF C[C@@H]1CC[C@@H]2[C@H](C=C[C@@H]3CO[C@@](C)(O)C(=O)[C@]32C)C1 2356629770 PRGXUBLCBUSLOT-IZIWBXRVSA-N 264.365 2.539 0 1 CFAF COc1cc(C)cc2c1O[C@H](C(F)(F)F)C(C(=O)O)=C2 64560651 IWBGGEKASHWNAZ-NSHDSACASA-N 288.221 2.795 0 1 CFAF CC1=CC[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5 1708 CUFWYVOFDYVCPM-OSLDLMBLSA-N 283.371 2.617 0 1 CFAF biogenic Cn1nnc(Cc2cccc(Oc3ccccc3)c2)n1 72120363 XHWDVSPGCRGDOD-UHFFFAOYSA-N 266.304 2.593 0 1 CFAF Cc1cc2c([nH]c3ccccc32)c2[n+]1[C@@H](C)NCC2 42967063 VBMLQDYYOPHOCB-NSHDSACASA-O 252.341 2.581 0 1 CFAF COC(=O)CCc1cncn1Cc1ccc(Cl)cc1 45372412 URMQPTBWBWXGKZ-UHFFFAOYSA-N 278.739 2.690 0 1 CFAF c1ccn2c(-c3ccnc(NC4CCNCC4)c3)cnc2c1 40943674 OAWBGRRSEHYTBC-UHFFFAOYSA-N 293.374 2.560 0 1 CFAF O=C1c2cccc3cc4c(c(c23)[C@@]12C=C[C@@H](O)CC2)OCO4 238754166 ZLVIXJUPJFVQEA-ZMZPIMSZSA-N 294.306 2.714 0 1 CFAF Cc1sc2nc(-c3cc(O)ccc3O)[nH]c(=O)c2c1C 96907912 UFNRQLOPUOFBMQ-UHFFFAOYSA-N 288.328 2.680 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(C[C@@H]1CCCO1)[C@@H](C2)C3=O 587456742 XXPCNFKNJKEIMI-BNLOLNQZSA-N 288.343 2.770 0 1 CFAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1cccnc1 587650927 HSQAMOKDEUYWCX-UHFFFAOYSA-N 286.356 2.942 0 1 CFAF CC(C)Oc1ccc2nc([C@H](N)[C@@H](C)F)[nH]c2c1 587122537 FBWUNFXFJVMPCW-PRHODGIISA-N 251.305 2.708 0 1 CFAF C(=C/c1ccccc1)\COCc1nc2cnncc2[nH]1 587780818 JHEJHOPZMKTWSL-QPJJXVBHSA-N 266.304 2.583 0 1 CFAF O=C1COc2cc3[nH]c(-c4occ5c4CCC5)nc3cc2N1 586905308 KDUKQHROURLFIB-UHFFFAOYSA-N 295.298 2.643 0 1 CFAF COc1cc(C2(c3nc4cncnc4[nH]3)CC2)ccc1C 587927602 SJDALOFCRMRJTE-UHFFFAOYSA-N 280.331 2.750 0 1 CFAF Cc1c(CC(=O)C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587637884 GHUNPHZUUOHXSD-UHFFFAOYSA-N 285.221 2.848 0 1 CFAF COc1nccc2nc([C@H](C)Sc3ncccn3)[nH]c12 586963353 IXSAKTUICJRYQF-QMMMGPOBSA-N 287.348 2.610 0 1 CFAF NC(=O)Nc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)cc1 587243725 PQDREUDJEWNDNB-UHFFFAOYSA-N 288.257 2.999 0 1 CFAF O=C1CCC[C@H](c2nc3ccc(CCO)cc3[nH]2)CC1 586886752 QITKTPHYJMMKGN-LBPRGKRZSA-N 272.348 2.715 0 1 CFAF CCCC(=O)N[C@H](C)Cc1ccc(F)c(OC)c1 1857606982 MRLYLDICLOFISA-SNVBAGLBSA-N 253.317 2.682 0 1 CFAF N#CN1CC[C@@H](NC(=O)Nc2ccc(Cl)cc2Cl)C1 1857616619 PKXOQIGWZSOFLZ-SECBINFHSA-N 299.161 2.670 0 1 CFAF COc1c(CC=C(C)C)c(O)c(C=O)c(O)c1C(C)=O 13307181 KWPIOSOVDGRDPO-UHFFFAOYSA-N 278.304 2.630 0 1 CFAF biogenic,in-vitro Cn1cc(-c2noc([C@@H]3CN4CC[C@@H]3C4)n2)c2ccccc21 13860830 DTXGABJYFGPQQR-DGCLKSJQSA-N 294.358 2.647 0 1 CFAF O=C(O[C@@H](c1ccccc1)C1CNC1)c1ccccc1 150049058 IIYIEZQVFYKYOZ-INIZCTEOSA-N 267.328 2.804 0 1 CFAF COc1ccc2c(c1)[C@@H](n1c(C)ccc1C)C(=O)N2C 206027601 QRXABULRPGALLG-OAHLLOKOSA-N 270.332 2.679 0 3 CFAF O[C@H]1C[C@@H]2CCCN3CCc4c(n1c1ccccc41)[C@@H]23 838 KOIGYXJOGRVNIS-KNXALSJPSA-N 268.360 2.845 0 1 CFAF in-man COc1ccc(CNc2cnc3cc(N)ccc3n2)cc1 1635249 ZQVFJCORAHGQKA-UHFFFAOYSA-N 280.331 2.833 0 1 CFAF O=C1O[C@H]([C@H]2Cc3ccccc3C2=O)c2ccccc21 1646152 ZWKQKSLGBZLXER-HOCLYGCPSA-N 264.280 2.953 0 1 CFAF Cc1nc(CN(C)Cc2cn[nH]c2-c2ccc(F)cc2)c[nH]1 55271258 SFUUKAPSSXYDHA-UHFFFAOYSA-N 299.353 2.879 0 1 CFAF COC(=O)C(=N)/C=C(\O)c1ccc(Cl)c(C)c1 28260412 KEPYKEMPRRGGHG-BHAKCINISA-N 253.685 2.740 0 1 CFAF COc1cccc2[nH]c(C(=O)Cc3cccnc3)cc12 66065866 KLXNMGVUMOUOMS-UHFFFAOYSA-N 266.300 2.997 0 1 CFAF CO[C@@]1(C)CC[C@@H]2[C@H]3[C@H](CC[C@H]2C)[C@@H](C)C(=O)N[C@@H]3O1 27560315 DXARRUAXLWZAIN-BRSZWVDUSA-N 281.396 2.530 0 1 CFAF O=C1O[C@H](Cc2ccc(O)cc2)C(c2ccc(O)cc2)=C1O 38818006 YFDAFIBRAHBXFL-CQSZACIVSA-N 298.294 2.535 0 1 CFAF Cc1cccc(CNc2nc(N3CCOCC3)ncc2C)c1 82212821 LUQNERSVEQGFBC-UHFFFAOYSA-N 298.390 2.542 0 1 CFAF CCCC/C=C/C=C/C=C/[C@H]1CC[C@H](O)[C@@H](CO)N1C 238755308 WARMWDVKZKPUTH-UZQXVHEJSA-N 279.424 2.661 0 1 CFAF Cc1ccc2c(C(=O)NCc3ccccc3)n[nH]c2c1 299838208 MGSPDHFVECFTLF-UHFFFAOYSA-N 265.316 2.801 0 1 CFAF CCc1c(C)sc2ncnc(SCC(=O)O)c12 653737669 TWARZOARNQSYJR-UHFFFAOYSA-N 268.363 2.739 0 1 CFAF COc1cc2nc(COC(F)(F)F)[nH]c2cc1OC 587125790 UZVZSHSGXLGJJQ-UHFFFAOYSA-N 276.214 2.617 0 1 CFAF O=C1CCC[C@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)CC1 586884658 RJPOTQABFRQOMN-ZETCQYMHSA-N 298.268 2.940 0 1 CFAF Nc1ccnc2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc12 586885376 BHSMJTHQIKEKJN-SJCJKPOMSA-N 276.343 2.912 0 1 CFAF Cc1nonc1[C@]1(C)c2c(F)cccc2C[C@H]2CCCN21 963086676 BTCWRXSKPFYBTO-WBMJQRKESA-N 287.338 2.801 0 1 CFAF OC1CCC(c2ccc(CN3CCOCC3)cc2)CC1 146318318 WJPVIGIOXYSXOM-UHFFFAOYSA-N 275.392 2.537 0 1 CFAF NCCn1c(C(=O)Nc2ccccc2)cc2sccc21 1772618010 VEWCSDHHGSTPIR-UHFFFAOYSA-N 285.372 2.914 0 1 CFAF COc1ccccc1CNC(=O)c1ccc2ncccc2n1 5929217 FKOZZWUMDDPKIP-UHFFFAOYSA-N 293.326 2.568 0 1 CFAF NCc1c(N)nc(-c2ccccc2)nc1-c1ccccc1 14948286 DJTMODWGQGJJLB-UHFFFAOYSA-N 276.343 2.852 0 1 CFAF O=C1NCC2=Nc3ccccc3N[C@H](c3ccccc3)[C@H]12 169691748 KCLKPPOQKQRKOU-HZPDHXFCSA-N 277.327 2.672 0 1 CFAF Cc1ccc(C2=NC[C@H](C)n3c2c2ccccc2[n+]3[O-])cc1 206061774 LUOBCXLEVSNHEM-ZDUSSCGKSA-N 291.354 2.995 0 3 CFAF CCCCN(C)C(=O)c1cn([C@H](C)c2ccccc2)nn1 203475613 RSBUYCUNSWNKIE-CYBMUJFWSA-N 286.379 2.760 0 3 CFAF COc1cc(-c2ccncc2)cc2c(C)cc(=O)[nH]c12 26498365 DLQJCFVOICAMFF-UHFFFAOYSA-N 266.300 2.907 0 1 CFAF Cc1ccc(C(=O)CN2C(=O)[C@H](C)Oc3ccccc32)cc1 1328456 MMYCUCNZEYAJPJ-ZDUSSCGKSA-N 295.338 2.992 0 3 CFAF O=C(O)[P@@](=O)(O)OC12CC3CC(CC(C3)C1)C2 3653721 ZMSQQHWYBIZGQA-UHFFFAOYSA-N 260.226 2.835 0 1 CFAF CCCC=C1OC(=O)C2=C1CC[C@@H](C(=O)CCC)[C@H]2O 2356458745 RWIPTYNGENPFSY-ZUZCIYMTSA-N 278.348 2.664 0 1 CFAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNCc1cccs1 2356316146 HXBJJCRVGBAZDO-HZSPNIEDSA-N 264.438 2.958 0 1 CFAF C[C@H](C(=O)O)c1cc(C(=O)c2cccs2)ccc1O 29399841 QUHNJEBGSOXPSD-QMMMGPOBSA-N 276.313 2.873 0 1 CFAF COc1ccc(C[C@@H](O)c2nc3ccccc3[nH]2)cc1OC 103290425 LNMSHRDMBMJEMJ-CQSZACIVSA-N 298.342 2.856 0 1 CFAF Cc1c(Cc2cnc(C(C)C)nc2N)csc1CCO 29128993 OOQRXXFASFGVQD-UHFFFAOYSA-N 291.420 2.678 0 1 CFAF O=C1NC(=O)[C@@]2(CC[C@H](c3ccccc3)c3ccccc32)N1 26479846 RJEIWZCFOOHJNR-ACJLOTCBSA-N 292.338 2.647 0 1 CFAF c1ccc2c(c1)OC[C@H](Cc1nc3ccccc3[nH]1)O2 27744736 HIZQQOPJQGUZJR-NSHDSACASA-N 266.300 2.945 0 1 CFAF CC[C@H](O)C[C@H]1CC=C[C@H](C[C@H](O)c2ccccc2)N1C 38924259 OMUMGOBALZYAGR-BDXSIMOUSA-N 289.419 2.900 0 1 CFAF CN1C[C@H]2CC[C@@H]1[C@@H](CNC(=O)c1ccc(Cl)cc1)C2 195524248 SEIHFMURBNPISA-NJZAAPMLSA-N 292.810 2.800 0 1 CFAF COc1cc(/C=C/c2cc(O)cc(O)c2)cc(OC)c1O 84707976 IGRDDAVPTHJDAG-ONEGZZNKSA-N 288.299 2.991 0 1 CFAF COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1cc3ccccc3[nH]1)O2 84614511 KOKBPPDCKPRXAM-YXAMBPQSSA-N 285.343 2.992 0 1 CFAF O=C1CS/C(=C/c2nc(-c3ccccc3)cs2)N1 95605056 ROJFLVCFGXZEJQ-AWNIVKPZSA-N 274.370 2.972 0 1 CFAF Oc1cccc(CCCCc2nc3cncnc3[nH]2)c1 586896051 HQXJBSAEFJLWEI-UHFFFAOYSA-N 268.320 2.624 0 1 CFAF Cc1nccc2[nH]c(Cc3cc(N)ccc3F)nc12 587142328 VIYDJGNAJPULFU-UHFFFAOYSA-N 256.284 2.578 0 1 CFAF Cc1ccc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2c1 587249308 GHLFIEYOFSXOLA-UHFFFAOYSA-N 281.315 2.743 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1oc(C)nc1C)O2 587394531 XFDVELFFYBYPCG-ZDUSSCGKSA-N 272.304 2.889 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccn1C)O2 587388777 ASMGZFQLGXQZII-MRXNPFEDSA-N 270.332 2.796 0 1 CFAF COc1cncc(N)c1-c1nc2c(cnc3ccccc32)[nH]1 587254947 ZMOJSKGVRPMNLW-UHFFFAOYSA-N 291.314 2.764 0 1 CFAF CCOc1cc(-c2nc3c(N)ccnc3[nH]2)ccc1C 587778730 RHDIOQJKIWAVOL-UHFFFAOYSA-N 268.320 2.914 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(CC[C@@H]1OC(C)C)[C@@H](C2)C3=O 587440931 DINOTLDITXUPCJ-JDFRZJQESA-N 288.343 2.769 0 1 CFAF Cc1nc(COc2ccc([C@H](N)N=O)cc2)cs1 958040008 DKFJFZVLPNFHGI-GFCCVEGCSA-N 263.322 2.754 0 1 CFAF CCC(=O)NCCc1c(OC)ccc2ccc(OC)cc12 13741578 SUFMDDIORSWOHT-UHFFFAOYSA-N 287.359 2.926 0 1 CFAF CN(C)C[C@@H](c1ccc(N)cc1)C1(O)CCCCC1 26742530 JCGKDKLOBKOKQH-HNNXBMFYSA-N 262.397 2.609 0 1 CFAF Cc1nc2ccc(N)cc2c(=O)n1Cc1ccc(Cl)cc1 1363130 GOEWJXSDVMFQNY-UHFFFAOYSA-N 299.761 2.989 0 3 CFAF CCC(CC)C(=O)NC[C@@H]1C[C@H]2CCN1C[C@H]2CC 2356320986 DZMBFUFMIDGEAW-KFWWJZLASA-N 266.429 2.659 0 1 CFAF Cc1ccc(C[C@@]2(O)C[C@@H](C)N(C)C[C@@H]2C)c(C)c1 4338352 WXJABLBQAGQBGM-UXLLHSPISA-N 261.409 2.937 0 1 CFAF CCc1c(C)nc2nncn2c1NCc1ccccc1OC 6743085 ADJVCFJCDABHBH-UHFFFAOYSA-N 297.362 2.616 0 1 CFAF COc1cc(C[C@@H](O)c2ccoc2)cc(OC)c1OC 26392205 QTOGKYSPYZXMGH-GFCCVEGCSA-N 278.304 2.582 0 1 CFAF C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)c1cccc[n+]1[O-] 27526943 CQKFSRKMQSKRRO-JTQLQIEISA-N 297.763 2.508 0 1 CFAF CC[C@H](C)[C@@H](O)[C@@H]1OC(=O)c2c(O)c(C)cc(C)c21 2356737634 LQLDCUDXLOCUIK-UQYDATMWSA-N 264.321 2.628 0 1 CFAF CNC(=O)CCCc1nccc2c1[nH]c1ccccc12 2356797750 OKHLNSHCOWXCRB-UHFFFAOYSA-N 267.332 2.785 0 1 CFAF COc1cc(O)c2c(c1)CCc1ccc(O)c(OC)c1-2 42919881 LCZKDANPQVRFKB-UHFFFAOYSA-N 272.300 2.881 0 1 CFAF NC(=O)c1ccccc1Nc1cccc(/C=C/C(=O)O)c1 42920310 YUSCXDGWCVLTEK-CMDGGOBGSA-N 282.299 2.627 0 1 CFAF CCOC(=O)c1cc(COc2cccc3ncccc23)on1 45367213 OCQGGBXXSXLQJZ-UHFFFAOYSA-N 298.298 2.979 0 1 CFAF COc1cc2c(=O)ccoc2c(O)c1OCC=C(C)C 238738844 XUNMNRCRXCXXNB-UHFFFAOYSA-N 276.288 2.852 0 1 CFAF COC(=O)C(C)(C)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587401787 YKYGVRIPBHTPLP-INIZCTEOSA-N 291.347 2.500 0 1 CFAF Oc1nccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c12 587090739 WVJZLPOGWNIJOW-ZETCQYMHSA-N 269.585 2.587 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)[C@H](C1CCCC1)CC3 587561720 KAFXWUHIHODEFH-JTQLQIEISA-N 271.320 2.656 0 1 CFAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3cnnc(O)c3[nH]2)C1 587968959 JMTYMHNDEKXSTL-RKDXNWHRSA-N 260.341 2.988 0 1 CFAF C[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602941 LRKDEKBIHCKSHE-NOZJJQNGSA-N 256.257 2.742 0 1 CFAF Cc1c(-c2ccnn2C)[nH]c2c(C(=O)O)cccc12 587637972 BRGPPMYTQJTBCZ-UHFFFAOYSA-N 255.277 2.575 0 1 CFAF Cc1ccc(OCc2nc3ccc(C(N)=O)cc3[nH]2)cc1 587565519 KVIXIORIQICNSO-UHFFFAOYSA-N 281.315 2.549 0 1 CFAF COc1cc(Cl)ccc1-c1nc2cc(=N)[nH]cc2[nH]1 587066575 NNPDLFYLWHBTRO-UHFFFAOYSA-N 274.711 2.699 0 1 CFAF COC(=O)c1cc(Cl)c2[nH]c([C@H]3CC[C@@H](N)C3)nc2c1 587247376 ZXQDSAWQZZFMGV-IONNQARKSA-N 293.754 2.598 0 1 CFAF CCC[C@@]1(Cc2ccco2)c2c(cnn2C)CCN1C 963954189 HLZFBQZHWSFEAN-MRXNPFEDSA-N 273.380 2.739 0 1 CFAF C/C(N)=C/[C@]1(C)c2ccc(F)cc2C[C@H]2CCCN21 963089422 HKLYHAYRZLEPSQ-RGDVIUMGSA-N 260.356 2.924 0 1 CFAF O=C(NCC1CCCCC1)n1nnc2ccccc21 1857553170 MTLGPAKWJPKDGK-UHFFFAOYSA-N 258.325 2.569 0 1 CFAF CCc1cccc2c1S(=O)(=O)c1ccc(O)cc1O2 13779768 LZALRADDNATWFE-UHFFFAOYSA-N 276.313 2.893 0 1 CFAF CC(=O)CCc1ccc(OCCCc2c[nH]cn2)cc1 13814582 QAQNNARZBJYTHU-UHFFFAOYSA-N 272.348 2.943 0 1 CFAF CCC(=O)O[C@]1(c2ccccc2)C[C@H]2CC[C@H]1N(C)C2 169333059 DNDXDAWIBUJZSQ-UNEWFSDZSA-N 273.376 2.949 0 1 CFAF Cc1ccc(NC(=O)CSCCc2ccccn2)nc1 4908721 CCEHILVGQMFMOX-UHFFFAOYSA-N 287.388 2.699 0 3 CFAF Nc1ccc(C2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 28231363 QKZZLSKHUZZWJR-DLBZAZTESA-N 274.408 2.752 0 1 CFAF CCCCCCOc1nn2c(N)nnc2c2ccccc12 64448206 YFLKYQDPCCHWNP-UHFFFAOYSA-N 285.351 2.819 0 1 CFAF O=C1NCC[C@H]2c3cc(OCc4ccccc4)ccc3N[C@@H]12 28820147 IWAQNTFYPGUTLP-WMLDXEAASA-N 294.354 2.663 0 1 CFAF Oc1n[nH]c(-c2ccncc2)c1-c1ccc(F)cc1 28390596 CZESYZNRPYCMPA-UHFFFAOYSA-N 255.252 2.983 0 1 CFAF O=C(O)C(=O)CC(=O)c1ccc(Cc2ccccc2)s1 38151735 PHCFKAVFHIELCJ-UHFFFAOYSA-N 288.324 2.565 0 1 CFAF COc1cc2c(cc1OC)OC(C)(C)C(CC(=O)O)=C2 34457166 MYUSVACFTIOJJZ-UHFFFAOYSA-N 278.304 2.733 0 1 CFAF Nc1nc(-c2ccc(Oc3ccccc3)cc2)cc(=O)[nH]1 71630209 PNLVWRDZAMFMQH-UHFFFAOYSA-N 279.299 2.811 0 1 CFAF CN(Cc1cc(O)n[nH]1)c1ccccc1Br 95580936 VPUZRQSESXFYCM-UHFFFAOYSA-N 282.141 2.514 0 1 CFAF O=C1CS[C@H](c2ccc(O)cc2)N1c1ccc(O)cc1 96915216 HTOXUNMQGLKPTQ-OAHLLOKOSA-N 287.340 2.876 0 1 CFAF Nc1cccc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)c1 261183761 WTYKEOIVVOXLGZ-BRWVUGGUSA-N 265.360 2.939 0 1 CFAF in-vitro Cc1ccc2c(c1)C(=O)N(Cc1ccc(F)cc1)C2=O 299867115 PXHZVRHUSZNNBN-UHFFFAOYSA-N 269.275 2.930 0 1 CFAF COc1cncc2[nH]c(C(=O)CCc3ccccc3)nc12 587954530 YXLJPMUKQUOFRR-UHFFFAOYSA-N 281.315 2.782 0 1 CFAF COc1cccc(O)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587399123 IQNIXKJHGXTLQV-HNNXBMFYSA-N 299.326 2.998 0 1 CFAF C[C@@H](F)[C@H](N)c1nc2ccc(Br)cc2[nH]1 587122097 BKFKAHCGVHXXIN-ANLVUFKYSA-N 272.121 2.683 0 1 CFAF Cc1ccc(C)c(-c2ccc3c(O)nc(O)nc3n2)c1 587561183 MINWDMSDWMIRGT-UHFFFAOYSA-N 267.288 2.720 0 1 CFAF CC(C)[C@H]1CCc2nc3nc(O)nc(O)c3cc2[C@H]1C 587562193 RKKSUGOZROVGLF-DTWKUNHWSA-N 273.336 2.758 0 1 CFAF Fc1cccc(-c2noc(C[C@H]3CN4CCC3CC4)n2)c1 1857556387 PKSSEVNOBATOFQ-ZDUSSCGKSA-N 287.338 2.760 0 1 CFAF c1csc(-c2noc(C[C@@H]3CN4CCC3CC4)n2)c1 1857615178 HWAUUNORMORAKE-LLVKDONJSA-N 275.377 2.682 0 1 CFAF COCC(=O)NC[C@@H]1CCc2ccc3ccc(OC)cc3c21 1857653697 QCENXOASTJWJCD-AWEZNQCLSA-N 299.370 2.641 0 1 CFAF COc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1 5889226 PGSPTCACZVPQJX-UHFFFAOYSA-N 298.371 2.954 0 1 CFAF CCCN[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 13741749 HUISJGMFDCMBAG-CYBMUJFWSA-N 256.349 2.837 0 1 CFAF C[C@H](C[N@]1[C@@H](O)C12CCCCC2)c1ccc(C=O)cc1 2356357857 LRYPDVQOINLYPR-RPVQJOFSSA-N 273.376 2.940 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2cccc(F)c2)C[C@H]2CC[C@@H]1N2C 56727970 KBWLRHKLMPNABK-APIJFGDWSA-N 277.339 2.565 0 1 CFAF c1ccc(Cc2ccc(OCCN3CCNCC3)cc2)cc1 22939567 VRPNVHVTNVFZRU-UHFFFAOYSA-N 296.414 2.561 0 1 CFAF COc1cc(C)c(OC)c2c1C[C@@H](C[C@H](C)N)CC2 27993111 QDYKNBNSVBXQTD-NWDGAFQWSA-N 263.381 2.854 0 1 CFAF N[C@H]1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1 22941710 ADWJHAQDNNETPC-SFHVURJKSA-N 296.414 2.689 0 1 CFAF CC[C@]12C=CCN3CC[C@]4(c5ccccc5N[C@@H]4C(=O)C1)[C@@H]32 2356618484 VWEIHRBYFKZAQD-YDZRNGNQSA-N 294.398 2.732 0 1 CFAF CC1(C)[C@H]2CC[C@@]3(C)[C@@H](C2)[C@H](C(=O)O)CC[C@@]13O 2356675764 DHFKAKCKGXSZQB-NCSKVMEWSA-N 252.354 2.675 0 1 CFAF C[C@]1(CO)CCC[C@]2(C)c3ccccc3[C@H](CO)[C@H]12 2356698992 YRTXVWCUOFUWAY-RKTXRCNFSA-N 260.377 2.833 0 1 CFAF CC1=CCCC(CO)=C[C@@H]2OC(=O)[C@@H](C)[C@@H]2CC1 2356745193 JWJOVYZAXACWBK-UBHSHLNASA-N 250.338 2.603 0 1 CFAF CNC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@@H]1N2C 36271133 VVUBAWQWFHXQPO-KBXIAJHMSA-N 292.810 2.652 0 1 CFAF Cc1c(Cn2ccnc2)c2ccccc2n1/C=C/C(=O)O 84409965 QASPWPGLPCVFCS-SOFGYWHQSA-N 281.315 2.750 0 1 CFAF Cc1ccc(C(=O)[C@@H]2CN=C3C=CC=CN3C2)cc1 43016011 VDSMLJONROIEHX-CQSZACIVSA-N 252.317 2.592 0 1 CFAF NC(=O)c1cc(-c2ccncc2F)[nH]c1-c1ccccc1 43174125 XLUUSCJMKRYKDU-UHFFFAOYSA-N 281.290 2.982 0 1 CFAF CC(=O)O[C@H]1[C@@H](C)CN(C)[C@@H]2Cc3c[nH]c4cccc(c34)[C@@H]12 87529825 GJSSYQDXZLZOLR-IMKJFWDFSA-N 298.386 2.689 0 1 CFAF in-vitro C1=C(c2ccc3nccnc3c2)C[C@H]2CNC[C@@H]1C2 95574646 HGGAFEZREIVLAZ-NEPJUHHUSA-N 251.333 2.643 0 1 CFAF CN(C)C(=O)Oc1ccccc1C(=O)Nc1ccccc1 299840675 YKNWSRVXXMGRCS-UHFFFAOYSA-N 284.315 2.999 0 1 CFAF NC[C@H]1C[C@@H]1c1c(OCCF)ccc(F)c1Cl 653710272 LIVNCHBFKKLLCJ-SFYZADRCSA-N 261.699 2.890 0 1 CFAF O[C@H]1CC[C@@H](c2nc3cc(Cl)ncc3[nH]2)CC1 586899601 QHNUPIDDASZPID-OCAPTIKFSA-N 251.717 2.630 0 1 CFAF Cc1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2n1 587117179 AKLXBZDOSGWDKN-UHFFFAOYSA-N 295.268 2.724 0 1 CFAF N=c1[nH]ccc2nc(-c3csc4ccc(O)cc34)[nH]c12 587031487 HRXKCMPKCLTILR-UHFFFAOYSA-N 282.328 2.958 0 1 CFAF Nc1c(CCC(=O)O)[nH]c2cc(Cl)c(F)cc12 587631359 KDSVPBZQNIDWMP-UHFFFAOYSA-N 256.664 2.560 0 1 CFAF OCc1ccc2nc(-c3cc(F)cc(F)c3O)[nH]c2c1 587134876 WBZBBQBPBMCNOV-UHFFFAOYSA-N 276.242 2.706 0 1 CFAF O=C(O)c1ccccc1-n1cc(-c2ccccc2)nn1 81102416 MFJFBWNLROGDCA-UHFFFAOYSA-N 265.272 2.633 0 1 CFAF Sc1nc2ccnc(NCc3ccccc3)c2[nH]1 1857749514 UZMDRMSMKLSFTN-UHFFFAOYSA-N 256.334 2.859 0 1 CFAF COc1cccc(CNc2ncnc(Cl)c2/C=N/O)c1 205645093 IZZDWFYNJCCHGU-CNHKJKLMSA-N 292.726 2.559 0 1 CFAF CC(=O)OCCCCCc1nc(C)c2ccc(Cl)nn12 5891787 HBAVIEHBYNXPDS-UHFFFAOYSA-N 295.770 2.967 0 1 CFAF CCc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C)cc1 13736102 UAMCGXVVAUEEEU-HZMVEIRTSA-N 287.403 2.988 0 1 CFAF C[C@@H](c1cc2ccccc2s1)N(O)C(=O)NO 13762834 QMGMGUYQDFAYML-ZETCQYMHSA-N 252.295 2.752 0 1 CFAF O=C([C@@H]1C[C@@H]2C=C[C@@H]1C2)N1CCN(c2ccccc2)CC1 169350163 XFIHTPPEWXZMBK-BFYDXBDKSA-N 282.387 2.547 0 1 CFAF Nc1cccc(Nc2nc3ccccc3nc2C(=O)O)c1 1857536384 DWGDWPYHHSGLRS-UHFFFAOYSA-N 280.287 2.654 0 1 CFAF Clc1ccc(-n2cnc(-c3cc4[nH]nnc4cn3)c2)cc1 1857649321 RTNFARMIXLCQMZ-UHFFFAOYSA-N 296.721 2.859 0 1 CFAF Cc1cccc(Nc2ncnc3cnc(N(C)C)nc23)c1 3815141 XQLOYQBOLORUIS-UHFFFAOYSA-N 280.335 2.538 0 1 CFAF Cc1ccc([C@@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2C)o1 211754 LSOYDMRQIYOIDM-UONOGXRCSA-N 285.299 2.583 0 3 CFAF CCOC(=O)c1ccc(-c2onc(C)c2Br)[nH]1 337800 ALVYVDSAWCZHQX-UHFFFAOYSA-N 299.124 2.917 0 1 CFAF O=C1Oc2ccccc2[C@@]2(O)[C@@H]3CCCCC[C@@H]3[C@@H]12 339726 CONVEVQNXBXAGL-VAECKANCSA-N 258.317 2.620 0 1 CFAF CN1[C@H]2CC[C@@H]1CC(OC(=O)N1CCc3ccccc31)C2 3778194 HRDDTYIXDSCKMA-YIONKMFJSA-N 286.375 2.811 0 1 CFAF CC[C@H](C)C(=O)C(=O)N[C@H](C)Cc1c[nH]c2ccccc12 26179781 WKNHEWXETZJFSW-NWDGAFQWSA-N 286.375 2.830 0 1 CFAF O=C(O)/C=C/c1ccc2[nH]c(-c3cccnc3)cc(=O)c2c1 66258568 SIXIHRALTQXOEA-GQCTYLIASA-N 292.294 2.688 0 1 CFAF CCOC(=O)[C@@]1(c2ccc(Cl)cc2)C[C@@H]1CN(C)C 26960354 KOBFUVWHPQUMOA-IUODEOHRSA-N 281.783 2.722 0 1 CFAF N=C(N)NCCCCNCc1ccc(-c2ccccc2)cc1 64539030 WSHUXFKJRNLNJO-UHFFFAOYSA-N 296.418 2.706 0 1 CFAF CO[C@@H]1c2ccccc2O[C@@H](c2ccc(O)cc2)[C@@H]1O 2356530908 WEUGDDZMGUAOFB-HRCADAONSA-N 272.300 2.574 0 1 CFAF COc1ccc(Oc2ccccc2Cl)c[n+]1[O-] 29047501 LAJHSKJBVMXCHZ-UHFFFAOYSA-N 251.669 2.774 0 1 CFAF Cn1ccc2c1CCc1c-2n(C)c2ccc(O)cc12 34801477 AXALKVNWVAZIMU-UHFFFAOYSA-N 252.317 2.988 0 1 CFAF NCCCCCCN1C(=O)c2cccc3cccc(c23)C1=O 96928011 DGCAXQXPUJNDSY-UHFFFAOYSA-N 296.370 2.955 0 1 CFAF CCN1CCOC[C@H]1CC(=O)Nc1ccc(C(C)C)cc1 299866997 PQSXIPXXPMZCKQ-MRXNPFEDSA-N 290.407 2.859 0 1 CFAF CC[C@H]1CCC(=O)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587446155 AHBBVNKCDOMHQC-GSDQYQHOSA-N 286.327 2.571 0 1 CFAF Cc1cccc2nc([C@H](N)Cc3cscn3)[nH]c12 587029186 KGKLCQRYJKPGSD-SNVBAGLBSA-N 258.350 2.570 0 1 CFAF COc1cc2nc(CC(C)(C)CC(=O)O)[nH]c2cc1F 587954843 BIGMYHCYDNLUDF-UHFFFAOYSA-N 280.299 2.754 0 1 CFAF COC(=O)[C@@H]1CCCc2nc3cccc4c3c(c21)CC4 587213657 JVWBSNQNRZELPJ-GFCCVEGCSA-N 267.328 2.926 0 1 CFAF C[C@@H](F)[C@@H](N)c1nc2c(Cl)c(Cl)cnc2[nH]1 587122371 DXSABZZVIGYDAX-AWFVSMACSA-N 263.103 2.623 0 1 CFAF COc1cc2nc([C@H]3CC[C@@H](O)CC3)[nH]c2cc1OC 586899112 MNXVPPUIRLWRNM-AOOOYVTPSA-N 276.336 2.599 0 1 CFAF Cc1noc2c(F)cc(N=c3[nH][nH]c4cccnc34)cc12 1857558773 ZYDFCUFZQFYWKO-UHFFFAOYSA-N 283.266 2.712 0 1 CFAF CCCCNC(=O)[C@@]1(C)CON=C1c1ccc(Cl)cc1 2462454 XTHQDYKCKPEGLE-HNNXBMFYSA-N 294.782 2.997 0 1 CFAF O=C(CNc1ccncc1)c1c[nH]c2ccccc12 3218693 ITEMLRWQBNEPFY-UHFFFAOYSA-N 251.289 2.858 0 1 CFAF CN1CCC=C(c2nsnc2SCCC[18F])C1 100060098 NQKPPQNBFQLLIZ-DWSYCVKZSA-N 272.405 2.709 0 1 CFAF in-vitro COc1ccc(-n2cc(-c3ccc(N)cc3)nn2)c(OC)c1 28567261 NQADSPMKYGTCPA-UHFFFAOYSA-N 296.330 2.534 0 1 CFAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)NC1CCCCC1 2356541197 GFXOCCWFNLHNCD-YCPHGPKFSA-N 293.455 2.739 0 1 CFAF CC1(C)C[C@@H]2C[C@](C)(O)c3cocc3[C@H](O)[C@@H]2C1 2356737784 DVUNYSPYMVWYHH-VWFAINMRSA-N 250.338 2.977 0 1 CFAF Cc1nc2ccccc2nc1COC(=O)c1cccnc1 32741535 XPESJZMMIBZLIW-UHFFFAOYSA-N 279.299 2.690 0 1 CFAF c1ccc2c(C3=c4c([nH]c5ccccc45)=NCC3)c[nH]c2c1 34057882 AMDZLOPOMKPXJU-UHFFFAOYSA-N 285.350 2.872 0 1 CFAF COc1ccc2c(c1)C(=O)C(c1ccc(C)cc1)=[N+]2[O-] 45244953 YIWDFNRKFDELQA-UHFFFAOYSA-N 267.284 2.831 0 1 CFAF CCCC(=O)NCCc1c2n(c3ccccc13)CCN(C)C2 42966185 LIYWRBNVQUGPBF-UHFFFAOYSA-N 299.418 2.546 0 1 CFAF O=C(Nc1cc[nH]c(=O)c1)c1c(Cl)cccc1Cl 96282838 JVXCQSWKORAHLL-UHFFFAOYSA-N 283.114 2.934 0 1 CFAF OCc1nc2cnc3[nH]ccc3c2n1C1CCCCC1 96270802 HMJUPPDIEBZXPQ-UHFFFAOYSA-N 270.336 2.910 0 1 CFAF COCc1ccc(-c2ccc3[nH]c(=N)sc3c2)cn1 474609312 PGBDHJBYFJSWIV-UHFFFAOYSA-N 271.345 2.917 0 1 CFAF O=C(CCc1ccccn1)c1nc2ccccc2[nH]1 653738205 RHTPCOBDNKAGHP-UHFFFAOYSA-N 251.289 2.773 0 1 CFAF CC[C@]1(C)C[C@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586893240 WZENYGPBAVTSTJ-VXJOIVPMSA-N 271.320 2.797 0 1 CFAF CCc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)n[nH]1 587395351 BMOKHEIFVZHALF-CQSZACIVSA-N 271.320 2.569 0 1 CFAF COc1cc2nc(CCOCc3ccccc3)[nH]c2cn1 587566245 CDLLNKQVAOHGDH-UHFFFAOYSA-N 283.331 2.726 0 1 CFAF COc1cc(C)c(N)c(-c2nc3c(Cl)ncnc3[nH]2)c1 587248952 GHGUJAGUJWSDCZ-UHFFFAOYSA-N 289.726 2.573 0 1 CFAF CO[C@@H]1CCCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587403835 RVSFGSIFRUBDHW-GDBMZVCRSA-N 275.348 2.870 0 1 CFAF S=C(Sn1ccc2ccccc21)N1CCOCC1 1857548436 CMRSLDLGOHXHLZ-UHFFFAOYSA-N 278.402 2.755 0 1 CFAF CC(C)[C@H]1CC[C@@H](C)[C@]2(O)CCC(C(=O)O)=C[C@H]12 1857555859 ISNQOHCTTZIKKK-BPGGGUHBSA-N 252.354 2.841 0 1 CFAF S=C1Sc2cc(Br)ccc2C2=NCCN12 1857562186 KJYDOYMIBGLEAG-UHFFFAOYSA-N 299.218 2.902 0 1 CFAF CCCOC(=O)c1[nH]cc(C(=O)OC(C)(C)C)c1C 13533444 GWWHSCNNFRBQQW-UHFFFAOYSA-N 267.325 2.845 0 1 CFAF CCNC[C@H]1COC(c2ccccc2)(c2ccccc2)O1 13453591 YUKWVXJZHKCVLV-KRWDZBQOSA-N 283.371 2.913 0 1 CFAF OC[C@H]1CCCCN1Cc1nc2ccc(Cl)cc2[nH]1 1649887 GVGACXDUCLLTDE-LLVKDONJSA-N 279.771 2.563 0 1 CFAF COc1cccc(C[C@@H]2Cc3ccccc3CC(=O)N2)c1 1653378 YYGHAFWEGACSOK-MRXNPFEDSA-N 281.355 2.521 0 1 CFAF Cc1cc(=O)[nH]c2cc(Nc3ccc(C(=O)O)cn3)ccc12 103197927 AJRCZKUOQGQOMU-UHFFFAOYSA-N 295.298 2.673 0 1 CFAF CC(C)[C@]1(C)OC(N[C@H](C)c2ccccc2)=NC1=O 28824014 ULVBIABWEWJWQK-ABAIWWIYSA-N 260.337 2.665 0 1 CFAF CCCN1CC[C@@H]2COC(=O)N2c2cc(F)ccc2C1 2356451074 SHEGFGCSPGOEOY-CYBMUJFWSA-N 278.327 2.767 0 1 CFAF C[C@H]1CCCC[C@H]1/N=c1/c(-c2ccccc2)c(O)c1=O 103535383 JXVHMSGJSXLZAA-IZBJLKLASA-N 269.344 2.774 0 1 CFAF CC(C)Cn1cnc2cc3c(cc21)[C@@H]1CNC[C@H]3C1 28527425 KTCKWEYGXKJYMD-NEPJUHHUSA-N 255.365 2.866 0 1 CFAF CO[C@]1(C)CC[C@H](C(C)C)C2=C1CC[C@](C)(O)[C@H]2O 2356759413 NWFRPVFXEBPUSC-IPOQPSJVSA-N 268.397 2.660 0 1 CFAF Cc1cc(O)cc(C)c1/C=C\c1cncc(C(N)=O)c1 72952565 WJVCASAEBZAPDS-ARJAWSKDSA-N 268.316 2.673 0 1 CFAF CCCCN1Cc2ccc(C(N)=O)cc2N=C1C1CC1 45301687 QTZQUPZVWBAACV-UHFFFAOYSA-N 271.364 2.841 0 1 CFAF CCN(CC)C(=S)Nc1sc2c(c1C(=O)O)CCC2 43067950 MSQWFYOAVTXOLY-UHFFFAOYSA-N 298.433 2.974 0 1 CFAF Cc1ccc2[nH]c(-c3ccc[nH]3)c([C@@H]3CC(=O)NC3=O)c2c1 84669720 JYNDQVFQFNNBOM-NSHDSACASA-N 293.326 2.602 0 1 CFAF COCCOC(=O)N[C@H](C)c1nc2ccc(F)cc2s1 653716367 SKRBBEFRLDTGGF-MRVPVSSYSA-N 298.339 2.869 0 1 CFAF C[C@H]1CCO[C@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)C1 586917205 NVZNTFWVAFXKTH-XPUUQOCRSA-N 286.257 2.811 0 1 CFAF c1ccc(C[C@H]2N[C@H](c3nc4cnccc4[nH]3)CS2)cc1 587040504 HPTARBGKCVBNIK-GJZGRUSLSA-N 296.399 2.904 0 1 CFAF C[C@H]1Cc2nc3cccc4c3c(c2C[C@@H]1C(=O)O)CC4 587215470 ORULGJRAAIEIKE-CABZTGNLSA-N 267.328 2.769 0 1 CFAF Nc1cccc(C(=O)O)c1-c1nc2cc(Cl)ncc2[nH]1 587248517 RQXNCTFHLFNSET-UHFFFAOYSA-N 288.694 2.559 0 1 CFAF N=c1cc2nc([C@@H]3SCCc4sccc43)[nH]c2c[nH]1 587036410 ABXDETJXHYGFHT-GFCCVEGCSA-N 288.401 2.811 0 1 CFAF Cc1ccc([C@]23CC(=O)C(=O)N2c2ccccc2N3)cc1 957743274 SPENTTYPSJFWNM-KRWDZBQOSA-N 278.311 2.579 0 1 CFAF COc1ccc(-c2cc([C@@H]3C[C@H]4CC[C@H]3N4)cnc2F)cn1 1772644020 UXWSDUYQMDZWBJ-VNHYZAJKSA-N 299.349 2.899 0 1 CFAF CC1(C)C/C=C/CC[C@H](O)[C@@H](O)CCC(C)(C)C1=O 17259692 BEWPNOHISJLCQR-YTDWTQRBSA-N 268.397 2.850 0 1 CFAF CC/C=C/C[C@@H](O)/C=C/C=C/[C@@H]1CC[C@H](O)[C@H](C)N1C 165717065 SSXVPIUBXLMMTO-FYSODIEUSA-N 279.424 2.660 0 1 CFAF COc1cc2ccccc2c2c1C[C@@H](NC(C)=O)CC2 13757223 MLJRIYOYYNNATE-ZDUSSCGKSA-N 269.344 2.842 0 1 CFAF O=C1Nc2ccccc2CN[C@@H]1Cc1c[nH]c2ccccc12 28956388 YRPMQHKNZVCUPI-QGZVFWFLSA-N 291.354 2.821 0 1 CFAF Fc1ncc([C@H]2C[C@H]3CC[C@@H]2N3)cc1Br 27526068 HREHVDXXFVARNZ-MRTMQBJTSA-N 271.133 2.591 0 1 CFAF CCC(=O)Oc1ccc(OCCCNC(C)C)cc1 27412483 XZZYYWSATDDYNN-UHFFFAOYSA-N 265.353 2.769 0 1 CFAF C[C@H]1CC(=O)N(C)N=C1/C=C/c1ccc(-n2ccnc2)cc1 27103000 IDNHHXDNCIWFGT-LJLILKBBSA-N 294.358 2.740 0 1 CFAF NCCNCc1ccc2nc(-c3ccccc3)ccc2c1 28244996 IMRAGMCSTYEGSF-UHFFFAOYSA-N 277.371 2.950 0 1 CFAF C[C@H]1CCC2=C(CO)CN(CCc3ccc(O)cc3)C=C21 2356858966 TXMLNVZMFKLSOA-ZDUSSCGKSA-N 285.387 2.853 0 1 CFAF Cc1cccc2nnc(-c3ccccc3Cn3cccn3)n12 32513781 HEDJCPXCGHSBIE-UHFFFAOYSA-N 289.342 2.950 0 1 CFAF C[C@H]1CC(c2ccc(Nc3ccncc3)cc2)=NNC1=O 34160874 QFJMEXMVLQEPQE-NSHDSACASA-N 280.331 2.685 0 1 CFAF C[C@]12CCC(=O)N[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 34164815 SXIPXKUAHBNRLJ-UCNBBQNYSA-N 291.435 2.869 0 1 CFAF CC/C=C/C1=C2N=C(N)N(C(C)=O)[C@H]3CC[C@@H](C[C@@H]1C)[C@@H]23 39173991 UVWRZPPOGHOFMI-JMEUFXAPSA-N 287.407 2.818 0 1 CFAF C[C@H](CC(=O)C[C@]1(C)C2C[C@H]3[C@@H](C2)C31C)C(=O)O 86038753 PJKNORSNWWYCMC-OZXTWLHRSA-N 250.338 2.739 0 1 CFAF endogenous,in-man COc1ccc(-c2ccc3c(c2)CNCc2cnnn2-3)cc1 95600576 PHHBKNYXGAPFHR-UHFFFAOYSA-N 292.342 2.546 0 3 CFAF COc1ccc2ccc(OC)c(/C=C/NC(C)=O)c2c1 95594201 HMYFXYOFPXZULT-CMDGGOBGSA-N 271.316 2.964 0 1 CFAF in-vitro COC(=O)c1ccc(C(=S)NCCc2ccccc2)cc1 98085604 JQOCLBDXYFWLBX-UHFFFAOYSA-N 299.395 2.981 0 1 CFAF COc1cncc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c12 587088884 UJGHOXZWTCLKGF-QMMMGPOBSA-N 294.305 2.716 0 1 CFAF COc1cc(OC)c2[nH]c(-c3cccc(CN)c3)nc2c1 587246830 PAYKNJRAHJBLEC-UHFFFAOYSA-N 283.331 2.706 0 1 CFAF CCc1cc2c(O)nc(O)nc2nc1CCc1ccccc1 587562047 XJGSTSUUILLKIQ-UHFFFAOYSA-N 295.342 2.784 0 1 CFAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc4c(cc3[nH]1)OCO4)C2 586883790 DOTKBHWYKQMIMQ-GARJFASQSA-N 296.326 2.930 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1cnc(O)c(C)c1)[C@@H](C2)C3=O 587436005 LSYVDDZPRQKXBR-BLLLJJGKSA-N 297.310 2.593 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(C1CCOCC1)[C@@H](C2)C3=O 587450116 DEQHEBYNAOBKSH-GUYCJALGSA-N 288.343 2.628 0 1 CFAF C[C@@]1([C@@H]2CCCCC2=O)c2ccsc2CCN1C(N)=O 962711715 SURIOVJOCVDNKM-MEBBXXQBSA-N 292.404 2.659 0 1 CFAF O=C(Cc1cccc(Cl)c1)c1ccc(O)c(O)c1O 147708151 HAZQRXQNHINBAP-UHFFFAOYSA-N 278.691 2.882 0 1 CFAF C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@@H](O)[C@@H]2O 5275867 PROQIPRRNZUXQM-CMURFVSUSA-N 288.387 2.580 0 1 CFAF CC(=O)OC[C@H]1CN(c2ccc(C(C)C)cc2)C(=O)O1 11524420 ZIGZFDKEVMOHIL-CQSZACIVSA-N 277.320 2.698 0 1 CFAF COc1ccc2c(c1)OC(=O)C[C@H]2c1ccc2c(c1)OCO2 13813505 YWGSWUAYVYUTFK-ZDUSSCGKSA-N 298.294 2.865 0 1 CFAF CC[C@@](C)(O)c1[nH]c2ccc(C(=O)OC)cc2c1C 15935748 VWVRVYUXFDVYQY-OAHLLOKOSA-N 261.321 2.880 0 3 CFAF Cc1nnn2c1-c1ccccc1N(c1ccccc1)C(=O)C2 1857634341 GVYLUNMYJIQLNZ-UHFFFAOYSA-N 290.326 2.932 0 1 CFAF CN(C)c1ccc2c(=O)cc(-c3ccccc3)[nH]c2n1 13579545 BEMRWFAUJDRLIY-UHFFFAOYSA-N 265.316 2.656 0 1 CFAF in-vivo O=c1ccc(-c2cccc3ccccc23)c(O)c(O)c1O 13775892 IBILKGKQLXBGID-UHFFFAOYSA-N 280.279 2.984 0 1 CFAF COc1cc2c(cc1O)CCN=C2c1ccccc1 27559821 BVUSXDVWXJHPIN-UHFFFAOYSA-N 253.301 2.794 0 1 CFAF CCCCOc1nsnc1C1=CC[C@@H](C)N(C)C1 3805980 YGJVFXOACAMRAX-SNVBAGLBSA-N 267.398 2.824 0 1 CFAF CSc1nc(NC2CC2)c2ncn(CC3CC3)c2n1 26959232 DIGAQOYEMDHJPC-UHFFFAOYSA-N 275.381 2.533 0 1 CFAF CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ccnc21 28219824 JZTWTHJFDIWAKD-WCQYABFASA-N 276.384 2.906 0 1 CFAF NCCCn1c2c(c3ccccc31)C(=O)CN1CCCC[C@H]21 29217225 NSSCUFMOMIKWCY-OAHLLOKOSA-N 297.402 2.713 0 1 CFAF Cc1cc(N(C)C)n2nc(SCc3ccccc3)nc2n1 27429975 JFGWWRTWYPQJOF-UHFFFAOYSA-N 299.403 2.791 0 1 CFAF COc1cc2c(c(OC)c1C(C)=O)C[C@H](C(C)C)O2 103183122 ONHDBGOEPVCRJR-LLVKDONJSA-N 264.321 2.866 0 1 CFAF CCN[C@H]1CCc2c(SC)ccc(OC)c2C1 29211142 YFSFCNMGAJHSHZ-JTQLQIEISA-N 251.395 2.884 0 1 CFAF CCOC(=O)c1c(N)oc2c1c(C)c(O)c1ncccc12 66073606 HOITWPCHSASYDH-UHFFFAOYSA-N 286.287 2.754 0 1 CFAF CC1=CCC[C@H](C)[C@]1(C)CCC1=C[C@H](O)OC1=O 2356808192 YOABPNKAIQIASF-NJZAAPMLSA-N 250.338 2.951 0 1 CFAF CC(=O)O[C@@H]1CC(C)(C)Oc2ccc3ccc(=O)oc3c21 39129035 WHTYOFOACKGUNH-GFCCVEGCSA-N 288.299 2.958 0 1 CFAF C[C@H]1C=C[C@H]2C[C@@](C)(O)CC[C@@H]2[C@H]1CCC(=O)O 34607212 JCBGMXDVXDFMAS-CXOVXGEYSA-N 252.354 2.841 0 1 CFAF Cc1cccc(Nc2nc(-c3ccncc3)n[nH]2)c1 72112390 ROOZRUHVOGRYPO-UHFFFAOYSA-N 251.293 2.919 0 1 CFAF COc1cnc([C@H](C)CO)c2[nH]c3ccccc3c12 238743740 XSNMUAUBDFNEIO-SECBINFHSA-N 256.305 2.821 0 1 CFAF C[C@H](C[C@H]1COC(N)=N1)c1cccc(C(F)(F)F)c1 149323571 FJRDJVPBMPIAGC-KCJUWKMLSA-N 272.270 2.913 0 1 CFAF CC[C@@H]1OCCC[C@H]1c1nc2cncc(OC)c2[nH]1 586912768 PFEGGRYNWQTTCQ-KOLCDFICSA-N 261.325 2.639 0 1 CFAF COc1ccc2nc([C@H]3CCCC(=O)CC3)[nH]c2n1 586886985 RFWRYFFWLOLKCT-VIFPVBQESA-N 259.309 2.583 0 1 CFAF Cc1nc(C)c(Cc2nc3cnc(Cl)[nH]c-3n2)s1 587012115 OGISICXLRFGJMO-UHFFFAOYSA-N 279.756 2.622 0 1 CFAF COC(=O)c1ccc2nc(CCc3ccccc3F)[nH]c2n1 587149301 KWAZVKXQPFVZEO-UHFFFAOYSA-N 299.305 2.669 0 1 CFAF CCc1ccc2nc([C@@H]3CC(=O)OC3(C)C)[nH]c2c1 586907679 IOMQYQRZGKQCDE-JTQLQIEISA-N 258.321 2.934 0 1 CFAF OCc1cccc(-c2nc3ccnc(Cl)c3[nH]2)c1 586895321 WXVKAXYNUXHYMS-UHFFFAOYSA-N 259.696 2.771 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccn1)O2 587393469 GYYLCVNJJFSRNV-MRXNPFEDSA-N 268.316 2.853 0 1 CFAF CO[C@H]1CCC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 587404369 WWGGXBXACLWRGH-ZBEGNZNMSA-N 275.348 2.870 0 1 CFAF CC(C)CC[C@@H]1CCc2cc3c(O)nc(O)nc3nc21 587562299 VQLCABHXPQKZLI-SECBINFHSA-N 273.336 2.902 0 1 CFAF C[C@H](CCc1nc2ccc(F)cc2[nH]1)CC(=O)O 587962586 GWBSNQLFJVZPRB-MRVPVSSYSA-N 250.273 2.745 0 1 CFAF Cc1c(F)ccc2c1[C@](C)(c1cscn1)NCC2 962374553 LEPBJVHRAPBRGF-AWEZNQCLSA-N 262.353 3.000 0 1 CFAF O=C(CCCCCc1ccc(O)c(F)c1)N1CCOC1=O 1857640044 JPKLFPWCXSDZOS-UHFFFAOYSA-N 295.310 2.613 0 1 CFAF C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O 5275871 PROQIPRRNZUXQM-LVZMMCSGSA-N 288.387 2.580 0 1 CFAF CCCSc1nc2cc(C)c(C)cc2n1C[C@H](O)CO 12523805 DSFZODDJZGXQPJ-LBPRGKRZSA-N 294.420 2.508 0 3 CFAF COc1cc(OC)c2[nH]c3cc(O)c(C=O)cc3c2c1 13482910 MIFULDKBOSMXIS-UHFFFAOYSA-N 271.272 2.856 0 1 CFAF CC[C@H](Cc1cc(OC)c(SC)cc1OC)NC 13641802 VDSMOAJRXWDJOF-LLVKDONJSA-N 269.410 2.966 0 1 CFAF C=Cc1ncc(OC)c2c3ccccc3n(OC)c12 15119378 IOKBUNVDGRBBPU-UHFFFAOYSA-N 254.289 2.900 0 1 CFAF COc1ccc(-c2cc(=O)c3cccnc3[nH]2)cc1 5503237 RVAMJFMMYXKWAR-UHFFFAOYSA-N 252.273 2.599 0 1 CFAF Nc1cccc([C@@H]2CN=C3c4ccccc4NC(=O)N3C2)c1 216179909 FAWPBIKASNVITL-GFCCVEGCSA-N 292.342 2.660 0 1 CFAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccccc1 2356437279 MYGQTPNBZLTNHQ-KBMXLJTQSA-N 272.392 2.537 0 1 CFAF Cc1cc(SCc2ccccc2F)[nH]c(=O)n1 4314576 AWJISCGEQZAWCW-UHFFFAOYSA-N 250.298 2.510 0 3 CFAF Cc1cc(NCc2ccc(Cl)cc2)n2cnnc2n1 6742909 HRVQHGMGBWUPRR-UHFFFAOYSA-N 273.727 2.698 0 1 CFAF COC(=O)[C@@H]1[C@H](c2ccc(C)cc2)C[C@H]2CC[C@H]1N2C 101025875 MMKZDDDDODERSJ-QKPAOTATSA-N 273.376 2.734 0 3 CFAF in-vivo COc1nn(Cc2ccccc2Oc2ccccc2)c(=O)o1 103287195 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CCC[C@@H](O)c1cc2cc(OC)c(OC)cc2c(=O)o1 36388811 RHMGNYRAESWFMA-LLVKDONJSA-N 278.304 2.644 0 3 CFAF O=c1c(-c2ccsc2)cnc2c(-c3ccccn3)c[nH]n12 137059191 NFCVIUBRVCQQHL-UHFFFAOYSA-N 294.339 2.813 0 1 CFAF N=C(NCc1ccc(F)cc1)SCCCc1c[nH]cn1 42920000 ZOGKNOVCCQKFNX-UHFFFAOYSA-N 292.383 2.939 0 1 CFAF COC(=O)C1=C(c2cccs2)C[C@@H]2CC[C@H]1O2 84604488 RQDKDYRGZLTUMC-WCBMZHEXSA-N 250.319 2.626 0 1 CFAF Cc1ccc(CNC(=O)Cc2c(C)noc2C)c(F)c1F 43177535 FDMSECPWNYUTGS-UHFFFAOYSA-N 294.301 2.737 0 1 CFAF COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@H]1c1cc3ccccc3[nH]1)O2 84614508 KOKBPPDCKPRXAM-GUYJKWIASA-N 285.343 2.992 0 1 CFAF Cc1cccc(OCCc2cc(=O)oc3cc(O)ccc23)n1 45339896 IMMLBFMULZMZKS-UHFFFAOYSA-N 297.310 2.824 0 1 CFAF NC(=O)c1cccc(-c2n[nH]c3cccc(Cl)c23)c1 299833836 ZTCSCMJRLGYLPR-UHFFFAOYSA-N 271.707 2.982 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccc(C=O)o1)[C@@H](C2)C3=O 587452633 GGQJPHNYBVEYRA-MEDUHNTESA-N 284.267 2.589 0 1 CFAF O=C(CCc1nc2cccc(O)c2[nH]1)Nc1cccc(F)c1 587164213 ZWYUENFLOLAANE-UHFFFAOYSA-N 299.305 2.979 0 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COc1ccc2c(c1)-c1c(cnn1C[C@H](C)N)C2(C)C 20870 GGPFGKIEWCRDMP-JTQLQIEISA-N 271.364 2.545 0 1 CFAF C[C@@H]1C=CN(CCc2c[nH]c3ccccc23)C(=S)N1 103200576 DVCSLUQAVGPFOK-LLVKDONJSA-N 271.389 2.803 0 1 CFAF CC(=O)N1CCc2c(c3cccc4c3n2CCS4)C1 103255625 ZSLOBZNDXCDIRE-UHFFFAOYSA-N 272.373 2.652 0 1 CFAF COc1ccc2[nH]c3c(c2c1)CCN(C(C)C)[C@H]3C(=O)O 28948091 XXOITNYOVMAEAC-OAHLLOKOSA-N 288.347 2.569 0 1 CFAF CCCCc1c(O)c2cccnc2n(-c2cccnc2)c1=O 100025806 SXVDGGWSLAXUBY-UHFFFAOYSA-N 295.342 2.829 0 1 CFAF CC(C)NC(=N)c1ccc2nc(-c3cccn3C)[nH]c2c1 28714561 LFIBWVPXIOYAQH-UHFFFAOYSA-N 281.363 2.892 0 1 CFAF C[C@H]1CCCC(=O)CCCc2cc(O)cc(O)c2C(=O)O1 2356322755 AOWCMVPFOMNSMB-JTQLQIEISA-N 292.331 2.719 0 1 CFAF COc1cc2sc(-c3c(C)n[nH]c3N)nc2cc1F 114398083 TYGJLYAMPYVJEC-UHFFFAOYSA-N 278.312 2.725 0 1 CFAF CN1[C@@H]2CCc3ccccc3[C@@]1(O)c1ccccc12 27881134 STUAGFZGFQVIOY-IAGOWNOFSA-N 251.329 2.813 0 1 CFAF C[C@H]1[C@H](O)[C@@H](C)[C@@H](C)O[C@@]12[C@@H](C)[C@@H]1OC[C@]2(C)C[C@H]1C 2356523199 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CCC(C)(C)Nc1ncnc2c1nn1ccccc21 653738173 PLEWNFVHHMWHBI-UHFFFAOYSA-N 255.325 2.878 0 1 CFAF Cc1c(F)cc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1F 587132399 FGJCOTNVLPQHJG-UHFFFAOYSA-N 295.680 2.624 0 1 CFAF CC(C)[C@@](C)(O)c1nc2ccnc(Br)c2[nH]1 586885404 BJFATXLTOOULDA-LLVKDONJSA-N 284.157 2.584 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)N(C)C[C@H]1C)O2 587396536 UHLHSMFNRRVLIO-PEBVRCNWSA-N 288.391 2.641 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccn(CC3CC3)n1)O2 587392664 VAFAXQNZWCEKDG-MRXNPFEDSA-N 297.358 2.890 0 1 CFAF Brc1c[nH]c2nc(C=C3CCC3)nc-2n1 587965401 SAVCQNUVXAEFBR-UHFFFAOYSA-N 265.114 2.634 0 1 CFAF COC(=O)c1ccc2nc(-c3cncc(F)c3)[nH]c2c1 587177303 UVEPSLXCTAKLNH-UHFFFAOYSA-N 271.251 2.551 0 1 CFAF O=C(O)c1ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2c1 586905011 XEGPUGRXWNAXAF-DOMZBBRYSA-N 294.310 2.830 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(CCC[C@@H](C)C1=O)[C@@H](C2)C3=O 587447795 VMCJUZNSVPLXOP-ZPQPFTAQSA-N 286.327 2.571 0 1 CFAF Cc1ccnc(NC(=O)c2c(C)[nH]c3cccc(F)c23)n1 587635969 VOBJMCMEXJZRTI-UHFFFAOYSA-N 284.294 2.966 0 1 CFAF COC[C@]1(C2CCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440099 OCQNOEDLVIBHFC-CXAGYDPISA-N 288.343 2.628 0 1 CFAF CC[C@]1(C2=NCCS2)CC(=O)c2cc(C)cc(N)c2O1 587415920 ZFGHDEFBFWQZOW-OAHLLOKOSA-N 290.388 2.837 0 1 CFAF CCCCN1C(=O)/C(=C/CC(=O)O)Nc2ccccc21 957698457 XNJFSSCCVWBPFU-WQLSENKSSA-N 274.320 2.604 0 1 CFAF Clc1ncc([C@@H]2C[C@H]3CC[C@H]2N3)cc1-c1cncnc1 1772599608 SNAGHARKABPOIK-MBNYWOFBSA-N 286.766 2.800 0 1 CFAF CC(=O)SC[C@@H](CCCc1ccccc1)c1nn[nH]n1 1772590731 UBDGPNCDIDTRMO-CYBMUJFWSA-N 290.392 2.586 0 1 CFAF CCc1cc(CCc2nc3c(o2)CCCC3)c(=O)[nH]c1C 5887028 VSINVLGFRQQWPG-UHFFFAOYSA-N 286.375 2.898 0 1 CFAF C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 13153779 SZNBRPRZLSIWNS-KZQCRMBDSA-N 293.366 2.801 0 1 CFAF NC(=O)N(O)[C@H]1COc2cc(Oc3ccccc3)ccc21 13760634 ONASRJDVAJUZMB-ZDUSSCGKSA-N 286.287 2.682 0 1 CFAF CCC/C=C1\OC(=O)C2=C1CC[C@H](C(=O)CCC)[C@@H]2O 14695953 RWIPTYNGENPFSY-AANRDZQQSA-N 278.348 2.664 0 1 CFAF COc1cc([C@@H]2CC(=O)Oc3cc(O)ccc32)ccc1O 148761243 KIMRZPTWCZEUBK-LBPRGKRZSA-N 286.283 2.547 0 1 CFAF CCCC=C1OC(=O)C2=C1CC[C@H](C(=O)CCC)[C@@H]2O 2356458740 RWIPTYNGENPFSY-BMIGLBTASA-N 278.348 2.664 0 1 CFAF CN1[C@@H]2CC[C@@H]1CC(NC(=O)n1ccc3ccccc31)C2 101513248 NIFHKFMTUGWEOO-HUUCEWRRSA-N 283.375 2.824 0 1 CFAF c1ccc2c(c1)OC[C@@H](Cc1nc3ccccc3[nH]1)O2 27744726 HIZQQOPJQGUZJR-LLVKDONJSA-N 266.300 2.945 0 1 CFAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCc2ncccc21 28964968 HXKSQEUAEPFHGL-CQSZACIVSA-N 293.330 2.767 0 1 CFAF C1=C(CCNc2nn3nnnc3c3ccccc23)CCCC1 20579953 VSLBHFFKHKVHHS-UHFFFAOYSA-N 294.362 2.975 0 1 CFAF Cc1ccc(-c2nc3ccc(Cl)cc3c(=O)n2N)cc1 64499250 WUZZZHMELXRJMC-UHFFFAOYSA-N 285.734 2.739 0 1 CFAF CNC(=O)c1cccc2c1O[C@@H](C)[C@H]2c1ccccc1 1911584238 VGGRZLSYFOENSF-NHYWBVRUSA-N 267.328 2.959 0 1 CFAF CNC(=O)[C@@H](Sc1cc(C)ccc1C)c1csnn1 40584323 UJRPBNHRJCKAHV-LBPRGKRZSA-N 293.417 2.734 0 1 CFAF CC(=O)N(Cc1ccc2ccccc2c1)C1CCNCC1 45254619 RQQIFQXOKVSJMS-UHFFFAOYSA-N 282.387 2.940 0 1 CFAF CO[C@H]1O[C@]23C=CC[C@@H](C)[C@]2(C)[C@@H](C(=O)CC3)[C@H]1C 238767899 FVTXNULUHYXYOE-ZZIDHEKVSA-N 264.365 2.945 0 1 CFAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCCO1)CC2=O 587494057 WTSCZQULJJNKMJ-GJZGRUSLSA-N 276.332 2.858 0 1 CFAF C[C@@H]1O[C@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586917520 RHKMYPBPAGIBMR-VXJOIVPMSA-N 280.331 2.854 0 1 CFAF COc1cncc2nc(Cc3sc(C)nc3C)[nH]c12 587011257 JAEZJVHKUXVZAA-UHFFFAOYSA-N 274.349 2.631 0 1 CFAF CC(C)(C)c1ccc2[nH]c(/C=C/C=C/C(=O)O)nc2n1 587968341 MVNRZJYNKVKJLY-YDFGWWAZSA-N 271.320 2.909 0 1 CFAF C[C@H]1C(=O)CC[C@H]1Cc1nc2cc3cn[nH]c3cc2[nH]1 587961211 DMUXZPUATMHGHW-BDAKNGLRSA-N 268.320 2.597 0 1 CFAF Cc1ccc2nc([C@@H](O)c3cccc(O)c3)[nH]c2c1 586892451 RCKZNELSGZGLFQ-AWEZNQCLSA-N 254.289 2.659 0 1 CFAF CC1(C)OC(=O)C[C@H]1c1nc2c(F)cnc(Cl)c2[nH]1 586910049 NLBVKFQQLDWZSJ-YFKPBYRVSA-N 283.690 2.560 0 1 CFAF COc1cc2c3c(c1)O[C@@H](CC(C)(C)OC)[C@@H](C2)C3=O 587439180 KGYNDESZALTJCG-YPMHNXCESA-N 276.332 2.626 0 1 CFAF COc1cncc2nc(-c3cc(F)cc(F)c3O)[nH]c12 587134027 IJSSWVNWCFJKLM-UHFFFAOYSA-N 277.230 2.617 0 1 CFAF C[C@@H]1CC(C)(C)C[C@@]2(NCCc3ccc(O)cc32)C1=O 963342071 QUKCUHXWLILEML-DIFFPNOSSA-N 273.376 2.758 0 1 CFAF O=C(c1ccc(NCCCn2ccnc2)cc1)C1CC1 1857585623 LDFRVEGXZFUMCF-UHFFFAOYSA-N 269.348 2.978 0 1 CFAF CN(C)CCNC(=O)c1cccc2c1oc1ccccc12 5957876 HOQZFYQFSSIBFM-UHFFFAOYSA-N 282.343 2.877 0 1 CFAF CN[C@@H](C)Cc1cc(OC)c(SC)cc1OC 13641781 HSFQBCBKMINXBH-VIFPVBQESA-N 255.383 2.576 0 1 CFAF Oc1nc2ccc(Cl)cc2c2nc(-c3ccoc3)nn12 13860973 GBYVBYNWLQCWMU-UHFFFAOYSA-N 286.678 2.897 0 1 CFAF Nc1nccc(-c2cc3cc(Br)ccc3[nH]2)n1 14947430 GVWACJDKQBKZIF-UHFFFAOYSA-N 289.136 2.970 0 1 CFAF CN1CC[C@]2(CCCN(CC3CCCCC3)C2=O)C1 14969805 IHNVDNKBUNWNFQ-MRXNPFEDSA-N 264.413 2.511 0 1 CFAF CC(C)[C@H]1SC(Nc2ccccc2F)=NC1=O 16052518 OJJBBNIYQKFZDK-SNVBAGLBSA-N 252.314 2.892 0 1 CFAF in-vivo c1cc(C2=NCCN2)cc(-c2noc(-c3cccs3)n2)c1 1857574894 STWBGRSXIAHZNN-UHFFFAOYSA-N 296.355 2.815 0 1 CFAF N=c1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2c[nH]1 1857577807 TZARJORQJQFHMX-UHFFFAOYSA-N 298.733 2.948 0 1 CFAF O=C(O)CCCc1nc(O)c2c3c(ccc2n1)CCCC3 1857745288 YILJMQKPLZGHFR-UHFFFAOYSA-N 286.331 2.622 0 1 CFAF COc1cc2c(cc1OC)[C@H]([C@H](O)c1ccccc1)NCC2 3589657 VJCADSFAKULTBF-QZTJIDSGSA-N 299.370 2.624 0 1 CFAF O[C@@H](C[C@H]1c2ccccc2-c2cncn21)C1CCOCC1 205774313 JXTJKNFGBORUEK-RDJZCZTQSA-N 284.359 2.631 0 1 CFAF CC(=CCC[C@]1(C)C2C[C@H]3[C@@H](C2)C31C(=O)O)C(=O)O 2356375972 MZGNQYVCSIVGIM-DKXGNROCSA-N 264.321 2.544 0 1 CFAF C[C@@H]1C=C[C@@H]2C[C@H](CO)CC[C@@H]2[C@H]1CCC(=O)O 2356334495 IEYGSRROAFACDI-POQQGIQPSA-N 252.354 2.698 0 1 CFAF CCCCNC(=O)OC[C@@H](CC)NC(=O)OCC(C)C 4957112 FFBWQEKZCKLWTB-GFCCVEGCSA-N 288.388 2.674 0 3 CFAF O=C1[C@H]2CCCN2[C@H](c2ccccc2)N1c1ccccn1 61943423 FHOUKTCDMZUIKD-ZBFHGGJFSA-N 279.343 2.591 0 3 CFAF CN(Cn1c(=O)oc2ccc(Cl)cc21)c1ccccn1 26724848 LAFKJGPSFBQBMV-UHFFFAOYSA-N 289.722 2.737 0 1 CFAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@@]1(C)[C@H]3CC[C@@](C)(O3)[C@@H]21 2356420918 RNZCIODIVSAJQF-ADHANXBXSA-N 250.338 2.532 0 1 CFAF Cn1nccc1-c1cccc2c1CC[C@H]2c1ncc[nH]1 29048230 FYRLXCDBIMGTKV-CQSZACIVSA-N 264.332 2.888 0 1 CFAF COc1ccc(C[C@@H]2OC(=O)[C@H](CCC(C)=O)[C@@H]2C)cc1 2356705817 FQDIKVIRFICCSR-MAZHCROVSA-N 290.359 2.785 0 1 CFAF C[C@@H](O)CCCCCCCCC[C@@H](O)CC(=O)O 219959292 BJMIBVYSUYJSQP-CHWSQXEVSA-N 260.374 2.714 0 1 CFAF in-vitro COC(=O)c1cccc(-n2sc3ccccc3c2=O)c1 36389230 YZRVQRVLCVYTKC-UHFFFAOYSA-N 285.324 2.839 0 3 CFAF O=C1C[C@H](c2ccccc2Br)n2nccc2N1 72176950 IJUIZNPDLJVXER-SNVBAGLBSA-N 292.136 2.577 0 1 CFAF O=C(Nc1ccccc1)c1ccc(CO[N+](=O)[O-])cc1 72175322 UEQZCAJCSPCXTE-UHFFFAOYSA-N 272.260 2.647 0 1 CFAF COC(=O)Nc1ccc2cccc(CCNC(C)=O)c2c1 71333834 SHZBHGJUHWSBAF-UHFFFAOYSA-N 286.331 2.697 0 1 CFAF O=C1N(C[C@@H]2CCCCN2)CCN1c1cccc(Cl)c1 49054316 HVSRNYNPOUFDNJ-ZDUSSCGKSA-N 293.798 2.724 0 1 CFAF Cc1c(-c2ccc3c(c2)CCC3=O)nnn1-c1cccnc1 45288937 MCWBIOWRLJBFJO-UHFFFAOYSA-N 290.326 2.767 0 1 CFAF CS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)cn2)cc1 145184409 ORBGPQIFBKGVLV-UHFFFAOYSA-N 298.367 2.943 0 1 CFAF CC(=O)OCC1=C2C=C3[C@H](C)CCC[C@]3(C)C[C@@H]2OC1=O 238768811 CZLXFQZSUNNOPS-TYFHEEPYSA-N 290.359 2.928 0 1 CFAF O=C(Cc1c[nH]c2ccccc12)[C@@H](O)Cc1ccc(O)cc1 96921634 KRSNVUPLMVRORR-KRWDZBQOSA-N 295.338 2.589 0 1 CFAF CC(C)(C)c1ccc2nc([C@@H]3CSCC(=O)N3)[nH]c2c1 587043793 MZQGJACJWCKVLY-LBPRGKRZSA-N 289.404 2.765 0 1 CFAF Cc1c(-c2ccn(C)n2)[nH]c2c(C(=O)O)cccc12 587638288 FGXRMVYPKMGGEY-UHFFFAOYSA-N 255.277 2.575 0 1 CFAF C[C@H](F)[C@@H](N)c1nc2cc(Cl)nc(Cl)c2[nH]1 587122879 GXELYZKCVGUTKO-BBIVZNJYSA-N 263.103 2.623 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1ccncc1F)[C@@H](C2)C3=O 587426981 FUNXXJHYWKWNMY-YVEFUNNKSA-N 299.301 2.892 0 1 CFAF Cc1c(F)ccc2nc(C[S@](=O)CC3CC3)[nH]c12 586959598 ODCZQOACCOFIEU-GOSISDBHSA-N 266.341 2.669 0 1 CFAF NC(=O)c1ccc2nc(/C=C\c3ccsc3)[nH]c2c1 587025707 NCJZDQDQNGKIFB-RJRFIUFISA-N 269.329 2.894 0 1 CFAF Nc1cc(-c2nc3ccc(C(=O)O)cc3[nH]2)ccc1F 587139339 HAHXURWPRWLVMT-UHFFFAOYSA-N 271.251 2.649 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1CCSC1)O2 587415631 VZUNSOAAVXRVJI-RNCFNFMXSA-N 263.362 2.664 0 1 CFAF COC(C)(C)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587398133 CFWJSQXAJIWJTO-HNNXBMFYSA-N 263.337 2.726 0 1 CFAF O=C(O)CCNC(=O)OC1c2ccccc2-c2ccccc21 71789579 LPTCTLKOAHPOTJ-UHFFFAOYSA-N 297.310 2.957 0 1 CFAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)C(=O)O)N2 958054883 ZIVIYDLAJAONBH-OJKBXMANSA-N 298.389 2.525 0 1 CFAF N=c1c2c([nH]c3ccccc13)C[C@H](C(F)(F)F)CC2=O 1772594389 YXZRHQXSDWIBGM-ZETCQYMHSA-N 280.249 2.955 0 1 CFAF Oc1ccccc1C1=CC(C(F)(F)C(F)F)=NCCN1 13126901 JJZJIGWCKSMVGL-UHFFFAOYSA-N 288.244 2.678 0 1 CFAF C/C1=C/CC(=O)[C@H](C)C[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 14453722 KLZWSNKEPLKAOS-LFLQHOCQSA-N 250.338 2.890 0 1 CFAF in-man CC(=O)c1nn(-c2ccc(C)cc2)c2c1CCc1n[nH]cc1-2 14945847 IOQPFCDWTIHSCW-UHFFFAOYSA-N 292.342 2.872 0 1 CFAF NC1=N[C@H](c2cc(Cl)ccc2C(F)(F)F)CO1 169698842 VLAXXDIHFBSRMC-QMMMGPOBSA-N 264.634 2.745 0 1 CFAF CCCNc1nc(-c2ccncc2)nc2cnccc12 1857571406 WKYHVIILYCJVBF-UHFFFAOYSA-N 265.320 2.909 0 1 CFAF COc1ccc2c(c1)OC[C@@H](Cc1ccc(O)cc1)C2=O 1857641918 VBAZQSKJSIAOCB-GFCCVEGCSA-N 284.311 2.835 0 1 CFAF CN1[C@H]2CCC[C@@H]1CC(OC(=O)c1cccc3[nH]cnc13)C2 385649 SBVUOEWNVMMLHY-FUNVUKJBSA-N 299.374 2.735 0 1 CFAF CCCC/N=c1\c(NC(C)=O)c(O)oc2ccccc12 101490778 GLMIVLGCMUCTEY-SSZFMOIBSA-N 274.320 2.798 0 1 CFAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1cc3ccccc3[nH]1)O2 101501448 KOKBPPDCKPRXAM-SHUKQUCYSA-N 285.343 2.992 0 1 CFAF Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 100626303 IGZBMAFHMCJSPF-IZKTWJBDSA-N 293.366 2.861 0 1 CFAF Cc1c[nH]c2ncnc(Nc3ccccc3-c3nc[nH]n3)c12 29047899 UBIKUVKCWZPHLD-UHFFFAOYSA-N 291.318 2.795 0 1 CFAF COc1ccccc1NC(=O)OC1C[C@@H]2CC[C@H](C1)N2C 29558193 YENAWCCCPDCCBY-FUNVUKJBSA-N 290.363 2.869 0 1 CFAF C[C@@H](Nc1ccccc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 29405673 SEHHKQQZYWVTJL-SLHHOWHOSA-N 288.391 2.655 0 1 CFAF CO[C@@H](C=C(C)C1CCC(C)(NC=O)CC1)[C@H](O)C(C)C 2356801729 RRLYPTHPAZTQAZ-VUROTCPHSA-N 297.439 2.660 0 1 CFAF c1ccc(OCc2ccccc2N2CCNCC2)cc1 45283837 WLIGTTARDYGFBV-UHFFFAOYSA-N 268.360 2.675 0 1 CFAF in-vivo CC[C@@H](C)c1nc2nc(N3CCC[C@@H]3C)ccc2[nH]c1=O 82231312 YGTGZWSSTUALBO-MNOVXSKESA-N 286.379 2.820 0 1 CFAF CC(=O)Oc1cc(C)c(O)c(OC(C)=O)c1C(C)C 238740157 FIDBMXMVNZTDHE-UHFFFAOYSA-N 266.293 2.675 0 1 CFAF CC[C@H](C)NC(=O)/C=C/C=C/c1ccc2c(c1)OCO2 238760554 AELCSTBSEIVBBX-HINGSUDXSA-N 273.332 2.899 0 1 CFAF COc1ccc2c(c1)O[C@H]1[C@@H]2COC2=C[C@H](OC)C=C[C@@H]21 238750727 YVFBXUBMCJCKQZ-KEAXFYSCSA-N 286.327 2.655 0 1 CFAF C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]21 523041434 BXRGGUXPWTWACZ-QWXWDBDGSA-N 250.338 2.579 0 1 CFAF biogenic NCC[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 473166143 DLLUAWMFPBYJKH-QGZVFWFLSA-N 283.371 2.694 0 1 CFAF CCCCN1CCC2(CC1)O[C@@H](OC)Cc1ccncc12 299838189 MAPCWTYIAFTINX-MRXNPFEDSA-N 290.407 2.718 0 1 CFAF O=C1C[C@@H](c2ncc[nH]2)Oc2c1ccc1c2CCCC1 587523014 FWEFANDDTYNWTH-AWEZNQCLSA-N 268.316 2.995 0 1 CFAF CN(C)C(=O)Cc1nc2cc(Cl)cc(Cl)c2[nH]1 587197451 PBENFIVZWRASMA-UHFFFAOYSA-N 272.135 2.500 0 1 CFAF OCc1ccc2nc(Cc3c(F)cncc3Cl)[nH]c2c1 587176138 OUPCPIZPEDNTCL-UHFFFAOYSA-N 291.713 2.834 0 1 CFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)NC1CC1 587871270 DYKGQGAASCFGCV-UHFFFAOYSA-N 289.310 2.808 0 1 CFAF CC[C@@H](C)n1cc([C@H]2NCCc3c(C(=O)O)cccc32)cn1 963119442 FCSRYDVBLXBWDP-BDJLRTHQSA-N 299.374 2.787 0 1 CFAF CN(Cc1ccccc1)n1sc2ccccc2c1=O 1857576507 QDSSTVQXSUUFND-UHFFFAOYSA-N 270.357 2.831 0 1 CFAF Nc1nccc(-c2c[nH]c3ncc(-c4cccnc4)cc23)n1 1772656710 QXLMUZJTNLPDOC-UHFFFAOYSA-N 288.314 2.664 0 1 CFAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC(=O)NC2=O 5941316 PLKNBMMJILFMCQ-BORJPKMPSA-N 299.370 2.501 0 1 CFAF O=C1c2ccccc2O[C@@]1(O)Cc1ccc(Cl)cc1 13385781 SGHMQSOFJHQKCW-HNNXBMFYSA-N 274.703 2.846 0 1 CFAF CS(=O)(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 32593082 OYZNNGHQVAYFKR-UHFFFAOYSA-N 288.328 2.866 0 1 CFAF Oc1nc2cccc3c2n1C[C@@H](c1ccccc1)NC3 6581942 UHTVNMQZJAMHQL-AWEZNQCLSA-N 265.316 2.586 0 1 CFAF CCCNc1ncnc2cc(-c3ccccc3)nn12 26501748 ATNWLZQXNIJCQX-UHFFFAOYSA-N 253.309 2.613 0 1 CFAF C[C@H]1Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O 2012675 LUDKBHINORQIBS-YFKPBYRVSA-N 289.114 2.832 0 1 CFAF CN(Cc1ccco1)c1ccnc(-c2cccnc2)n1 4264728 BZERTTFZZIXOOW-UHFFFAOYSA-N 266.304 2.768 0 1 CFAF Cc1ccc(O)c(C2=CC(C(F)(F)F)=NCCN2)c1 101514209 YCMCREDHCIIZJZ-UHFFFAOYSA-N 270.254 2.648 0 1 CFAF Nc1cccc(-c2cncc([C@H]3C[C@@H]4CC[C@@H]3N4)c2)c1 100580046 WTYKEOIVVOXLGZ-BBWFWOEESA-N 265.360 2.939 0 1 CFAF O=C(Nc1cccc2[nH]ncc12)N[C@H]1CCc2ncccc21 28964973 HXKSQEUAEPFHGL-AWEZNQCLSA-N 293.330 2.767 0 1 CFAF COc1ccc(/C=C/c2ccc3c(c2)no[n+]3[O-])cc1 28648402 FUFNMQMEVXWCNS-NSCUHMNNSA-N 268.272 2.640 0 1 CFAF c1ccc2c(c1)ccc1[n+]2Cc2ccc3ccccc3[n+]2-1 27523833 ULKAKLBYCVQQSB-UHFFFAOYSA-N 270.335 2.919 0 1 CFAF O=C(CC[C@H]1C(=O)C2CCN1CC2)c1ccc(Cl)cc1 26381791 YDRFNUPRPCZZHS-AWEZNQCLSA-N 291.778 2.966 0 1 CFAF CCCNC(=O)Nc1ncc(-c2ccccc2)n1C 15786041 WZQQYVWBYSNPHM-UHFFFAOYSA-N 258.325 2.619 0 1 CFAF CC(=O)O[C@H](CC=C(C)CO)C(C)=CCCC(C)=CCO 2356527379 FKZKSYSFWQITBQ-QGZVFWFLSA-N 296.407 2.912 0 1 CFAF CC(=O)O[C@@H]1CC[C@](C)(O)[C@@H]2[C@@H](CC(C)(C)O)CC[C@]12C 2356538704 NPBYTIHOCDRNRJ-ZJPZJRRFSA-N 298.423 2.656 0 1 CFAF CC(=O)O[C@H](C)CCCC=CC[C@@H](O)C=CC=CC(=O)O 2356595332 CFFRJDASPYBVKV-UKRRQHHQSA-N 296.363 2.613 0 1 CFAF CC[C@@](C)(O)CCCCc1cc(O)c(C)c(=O)o1 2356792290 JNXLIDJEEQRMRD-CQSZACIVSA-N 254.326 2.528 0 1 CFAF C[C@@H](N)Cc1ccc(OC(=O)c2ccccc2)cc1 27865417 OXMWBOHHPNEKHR-GFCCVEGCSA-N 255.317 2.796 0 1 CFAF CN1CCOc2cc(COC3CCCCC3)cnc21 66097296 WCXABTLZPMLWGG-UHFFFAOYSA-N 262.353 2.760 0 1 CFAF O=C(N[C@H]1CN2CCC1CC2)c1ccc2sccc2c1 34063562 VHAJPVHGNQXFSO-AWEZNQCLSA-N 286.400 2.725 0 1 CFAF C[C@@]1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1C1CCC1 40972792 IGZLGFQFXDRWON-KRWDZBQOSA-N 298.390 2.525 0 1 CFAF NCCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2 49808025 YFBLNYYKYOEZMC-UHFFFAOYSA-N 297.745 2.860 0 1 CFAF Cc1nc2c(s1)Cc1cccc(OCP(=O)(O)O)c1-2 45387395 DLAWXUQOWZHAQZ-UHFFFAOYSA-N 297.272 2.537 0 1 CFAF O=C(Cc1ccc(Cl)cc1)N[C@H]1COc2ncccc21 146548008 DREODSJJQSOXGJ-ZDUSSCGKSA-N 288.734 2.527 0 1 CFAF C[Si](C)(C)C[C@](O)(Cn1cncn1)c1ccccc1F 195821969 VHAFEHKEYRMGCO-CQSZACIVSA-N 293.418 2.643 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CN1CCCCC1)O2 587397945 CSGMJOPCEJIVAR-KRWDZBQOSA-N 288.391 2.787 0 1 CFAF O=C1C[C@H]([C@H]2CCOC2)Oc2c1ccc1c2CCCC1 587529984 AFYXEVKPDDWWCR-BLLLJJGKSA-N 272.344 2.936 0 1 CFAF COC(=O)Nc1ccc(-c2nc3cc(CO)ccc3[nH]2)cc1 587243703 PMMYDAOGGCXQBL-UHFFFAOYSA-N 297.314 2.901 0 1 CFAF C[C@@H](F)[C@@H](N)c1nc2cc(Cl)c(Cl)nc2[nH]1 587126068 VOEXAODBZAKMLE-AWFVSMACSA-N 263.103 2.623 0 1 CFAF Cc1ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c2n1 586899963 XOKNRRTVVCQLDG-UHFFFAOYSA-N 271.364 2.851 0 1 CFAF N=c1[nH]c2c(s1)-c1nc3cccc4c3c(c1CC2)CC4 587361156 RUVJBAMNGDNIBF-UHFFFAOYSA-N 279.368 2.968 0 1 CFAF COc1cc(C)ccc1OCc1nc2ccc(CO)cc2[nH]1 587563405 DATKYPXOQBPHDF-UHFFFAOYSA-N 298.342 2.951 0 1 CFAF CN1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587514882 PYWMCNFEEIVGIW-KRWDZBQOSA-N 271.360 2.605 0 1 CFAF Cc1nc(Br)sc1-c1nc2cnncc2[nH]1 587012237 VCKTVFKOTXVUNY-UHFFFAOYSA-N 296.153 2.547 0 1 CFAF CSc1nnc(CCCO)n1-c1cccc(Cl)c1 1857569776 CUZSUUQIBJEZHR-UHFFFAOYSA-N 283.784 2.568 0 1 CFAF CCCCCNC1=NCCN1OCc1cccc(C)c1 13539080 IZYCTKHWHJBYDW-UHFFFAOYSA-N 275.396 2.878 0 1 CFAF CC1=C[C@H](CC2=CC(=O)O[C@H]2O)[C@@H](C(C)C)CC1 169371271 XSUQCIIWOCZPHC-UXIGCNINSA-N 250.338 2.807 0 1 CFAF C[C@@H](C(=O)O)S(=O)(=O)c1ccc(-c2ccccc2)cc1 3600371 HHAXEJZXVILWHM-NSHDSACASA-N 290.340 2.600 0 1 CFAF c1ccc(N2CCN([C@H]3C[C@@H]4CC[C@H]3C4)CC2)cc1 1229355 MVECBLIDFXQFDF-VYDXJSESSA-N 256.393 2.997 0 1 CFAF COc1ccc([C@H]2OC(c3ccncc3)=NN2C)cc1F 1643566 OLGDESGVPRPAQJ-OAHLLOKOSA-N 287.294 2.552 0 1 CFAF COC(=O)c1c(OC(C)=O)ccc2c1C=CC(C)(C)O2 2356283985 JKIDZMUUZVNDRQ-UHFFFAOYSA-N 276.288 2.583 0 1 CFAF C[C@H]1CCCN(C(=O)Nc2cn(C)c(=O)c3ccccc23)C1 6931878 DXZFTDAREKDSMM-LBPRGKRZSA-N 299.374 2.802 0 1 CFAF CCN1CC[C@@H]2C[C@@H]1c1ccc(OC(=O)NC)cc12 100736913 SMRNNJFLKGLSBA-QMTHXVAHSA-N 260.337 2.659 0 1 CFAF COc1ccc([C@](O)(c2cncnc2)C(C)(C)C)cc1 28768804 YRQBTOVKTWVFOC-INIZCTEOSA-N 272.348 2.767 0 1 CFAF Cc1nc2cccc(CCCNC(=O)C3CC3)c2o1 27216673 PCMHFEOUQIISFM-UHFFFAOYSA-N 258.321 2.595 0 1 CFAF O=C1NC(=O)[C@H](Sc2ccc3cc(O)ccc3c2)S1 29215469 NVHFRSHAUQAENH-GFCCVEGCSA-N 291.353 2.947 0 1 CFAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O 34164816 SXIPXKUAHBNRLJ-KLIQYNMKSA-N 291.435 2.869 0 1 CFAF NC(=O)c1cnc(N2CCCC2)c2c1[nH]c1ccc(F)cc12 72123491 SJSWGFWLFRARFJ-UHFFFAOYSA-N 298.321 2.554 0 1 CFAF Cc1cc(Nc2cnc3ccccc3c2)n2ncnc2n1 40380539 PDEKHLCWCRSPIL-UHFFFAOYSA-N 276.303 2.725 0 1 CFAF CCCSc1nc(SCc2ccccc2)nc(=O)[nH]1 72123184 ZSMPACFXQJXISL-UHFFFAOYSA-N 293.417 2.959 0 1 CFAF N=C(N)NCCCCN(Cc1ccccc1)c1ccccc1 45190876 CJEOGUBOZXCIIN-UHFFFAOYSA-N 296.418 2.956 0 1 CFAF CC(C)(O)c1cncc(-n2ncc3ccc(F)cc32)c1 221352807 QVIUOFLLJBPKMI-UHFFFAOYSA-N 271.295 2.787 0 1 CFAF CC[C@H](c1cc2c3c(c1)CCN3C(=O)CC2)n1ccnc1 95555696 JBKXXMSSWRLLLV-OAHLLOKOSA-N 281.359 2.718 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](C1CCNCC1)CC2=O 587487525 VYIVYHNANOCBPX-INIZCTEOSA-N 289.375 2.678 0 1 CFAF Oc1nccc2[nH]c(-c3ccc(OC(F)F)cc3)nc12 587130785 QUBNXQBFHJKQFQ-UHFFFAOYSA-N 277.230 2.932 0 1 CFAF FC(F)(F)CCc1ocnc1-c1nc2cncnc2[nH]1 587091944 JWHCJSIITUIOLT-UHFFFAOYSA-N 283.213 2.503 0 1 CFAF C[C@@H](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)N(C)C 587190630 IYLTUCBJYAOQJE-QMMMGPOBSA-N 287.285 2.954 0 1 CFAF CC(=O)c1ccc2nc(-c3cc(N)c(N)cc3F)[nH]c2c1 587137404 YPJPPPCGJZKWIL-UHFFFAOYSA-N 284.294 2.736 0 1 CFAF C[C@H](Sc1ncccn1)c1nc2ccc(CO)cc2[nH]1 586962832 BAAHVMOSHQPOJH-VIFPVBQESA-N 286.360 2.699 0 1 CFAF C=C(NC(C)=O)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587202929 INRXKMWKTOORJY-UHFFFAOYSA-N 271.654 2.601 0 1 CFAF CS(=O)(=O)/C=C\c1nc2cc(Cl)cc(Cl)c2[nH]1 586923731 SUIWEVKSTMAGLU-IHWYPQMZSA-N 291.159 2.885 0 1 CFAF COc1cnc(-c2nc3ncc(F)cc3[nH]2)cc1Cl 587065204 VRGQFTWCTRMREE-UHFFFAOYSA-N 278.674 2.821 0 1 CFAF Cc1ccnc2[nH]c(C(F)(F)c3ccccn3)nc12 587090725 WOHPCOUGBLUHHL-UHFFFAOYSA-N 260.247 2.801 0 1 CFAF COc1cc2c3c(c1)O[C@H](C(=O)c1ccccc1)[C@@H](C2)C3=O 587445528 KRAIBWRRLHENKI-UGSOOPFHSA-N 294.306 2.694 0 1 CFAF CCSC[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587454486 ZZJZSEICOMRJDA-JQWIXIFHSA-N 264.346 2.564 0 1 CFAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](C2CC3(CC3)C2)N1 962896174 JFODZEPBBUQEAG-KBPBESRZSA-N 275.323 2.656 0 1 CFAF Oc1cccc(C2=C[C@@H](O)c3c(O)cccc3O2)c1 1857583645 ICNPNFUKWHAYLR-GFCCVEGCSA-N 256.257 2.565 0 1 CFAF CCCc1nc2[nH]cnc2c2nc(-c3ccccc3)nn12 13475504 PLBAAFYUPQVOCF-UHFFFAOYSA-N 278.319 2.620 0 1 CFAF C[C@@H]1C(=O)O[C@H]2[C@@H]3[C@](C)(CC[C@H]12)[C@H]1CC[C@@]3(C)O1 2356420921 RNZCIODIVSAJQF-WKBKPIFPSA-N 250.338 2.532 0 1 CFAF CCC1(CC)OC(N[C@@H](C)c2ccccc2)=NC1=O 28824009 YJASHHQSZYMJHT-NSHDSACASA-N 260.337 2.809 0 1 CFAF COc1ccc2c(c1)O[C@H](c1ccccn1)CC2=O 103175443 GKXHARSVJHSQKL-HNNXBMFYSA-N 255.273 2.797 0 1 CFAF Cc1ccc(C(=O)c2ccccc2CN(C)C)c(N)c1 28571665 BJJMXMMHXNEXRL-UHFFFAOYSA-N 268.360 2.870 0 1 CFAF Cc1nc(-n2cc(C#N)c3ccccc32)sc1C(=O)O 113276370 OZUXZYCXHAPCDX-UHFFFAOYSA-N 283.312 2.965 0 1 CFAF c1csc(-c2nc(CNC[C@@H]3CCCO3)co2)c1 72183128 VJWQSWKVYGVLPJ-NSHDSACASA-N 264.350 2.672 0 1 CFAF O=C1NC(=O)/C(=C/c2ccc(-c3cccc(O)c3)o2)S1 35786654 NIGGPHOUZYQQAL-GHXNOFRVSA-N 287.296 2.976 0 1 CFAF CNC[C@@H](O)[C@H](c1ccccc1)c1ccc(C)cc1 39245458 JJBATQZWEQQLMU-IAGOWNOFSA-N 255.361 2.707 0 1 CFAF CCc1ccccc1N(Cc1ccccc1)C(=O)C(=O)O 35260770 NOGGEPBGZGPLDL-UHFFFAOYSA-N 283.327 2.867 0 1 CFAF COc1ccc2cc(CF)cc(CCNC(C)=O)c2c1 73197174 BKRSGUOHAVKIQX-UHFFFAOYSA-N 275.323 2.997 0 1 CFAF CCC[C@H](C)Nc1nc(N2C[C@H](C)O[C@H](C)C2)ncc1C 82203131 LXXSBFNXCICVHQ-MELADBBJSA-N 292.427 2.999 0 1 CFAF COc1ccc(-c2cnc3c(-c4cn[nH]c4)cnn3c2)cc1 96270775 IIYOBXCNRFSCBH-UHFFFAOYSA-N 291.314 2.795 0 1 CFAF CC(=O)Nc1cccc(Cc2nc3cccc(O)c3[nH]2)c1 587242464 MAAGCKOWYXOGNF-UHFFFAOYSA-N 281.315 2.818 0 1 CFAF Cc1ccc2nc([C@@H](O)C3CCOCC3)[nH]c2c1C 586913889 SEHUGXQYRSXGON-AWEZNQCLSA-N 260.337 2.640 0 1 CFAF COC1CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2 587402664 GHKWSZHWZDGIIY-UHFFFAOYSA-N 275.348 2.870 0 1 CFAF CC(C)[C@@](C)(O)c1nc2ccc3ncccc3c2[nH]1 586885338 BEFFGQCUKGWWDJ-OAHLLOKOSA-N 255.321 2.975 0 1 CFAF COc1cccnc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587393961 OOOAMHLJUCHWTB-QGZVFWFLSA-N 298.342 2.861 0 1 CFAF CC[C@@H]1OCCC[C@@H]1c1nc2ccc(C(=N)N)cc2[nH]1 586914056 UFGNDDSZISJNLL-GWCFXTLKSA-N 272.352 2.520 0 1 CFAF COc1ccc([C@H](O)[C@@H](C)c2nc3cnccc3[nH]2)cc1 587935204 HCSXHBRUDCDGMA-MEBBXXQBSA-N 283.331 2.804 0 1 CFAF Cc1ccnc2[nH]c(C[C@H]3CCc4occc4C3=O)nc12 586906372 CBHRCPWUFHWWCG-SNVBAGLBSA-N 281.315 2.847 0 1 CFAF Brc1c[nH]c2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)nc-2n1 587966256 BYPYQNFCYCFXEA-XLPZGREQSA-N 291.152 2.747 0 1 CFAF Oc1nc(O)c2ccc(-c3cccc4cc[nH]c34)nc2n1 587556182 UJJLWLAIGXGEIJ-UHFFFAOYSA-N 278.271 2.584 0 1 CFAF Cc1cccc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c12 587249972 UZELQVVQTBNCEZ-UHFFFAOYSA-N 267.288 2.819 0 1 CFAF CCCCC/C=C(\NC(=O)[C@@H]1CC1(C)C)C(=O)O 5819948 WIESNNVNXBYTFK-DFYQSJSGSA-N 253.342 2.698 0 1 CFAF Cc1ccccc1C[C@]1(CO)CCCN(Cc2cc[nH]n2)C1 12433336 CQPZCTDIKXZYMD-GOSISDBHSA-N 299.418 2.535 0 3 CFAF c1ccc(-c2nnc([C@@H]3CC(c4ccncc4)=NO3)o2)cc1 12726767 QRBNIPXWAZBCKK-AWEZNQCLSA-N 292.298 2.997 0 3 CFAF O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccccc1F 13154565 KXJNSCPKVVKJJK-DHPDLVEQSA-N 271.291 2.527 0 1 CFAF COc1cc2c(cc1O)O[C@H]1c3ccc(O)cc3OC[C@H]21 14820538 NYGZYUAVZPIKBZ-BZNIZROVSA-N 286.283 2.716 0 1 CFAF CO[C@@H]1C=C(CCC=C(C)[C@H](O)CC=C(C)C)C(=O)O1 2356464450 KWJDQWGBHWFRJA-CABCVRRESA-N 280.364 2.886 0 1 CFAF CN1CCN(c2cc(-c3ccccc3Cl)ncn2)CC1 4239278 NLHILVMUFIBNJF-UHFFFAOYSA-N 288.782 2.549 0 1 CFAF CO/C(O)=C1\C(C)=NC(C)=C([N+](=O)[O-])[C@H]1c1cccnc1 27559332 AUIZEGZTKOEYTR-SEVUAYLXSA-N 289.291 2.564 0 1 CFAF CCCNC(=O)[C@H](Cc1ccc(O)cc1)c1ccc(O)cc1 27426998 RHAHPNHJDTVNNB-QGZVFWFLSA-N 299.370 2.950 0 1 CFAF C/C=C/c1ccc([C@H]2[C@H]3CN(Cc4cocn4)C[C@@H]2N3)cc1 100106166 LVMTZFVNEICWDV-CXJOXEPESA-N 295.386 2.648 0 1 CFAF O=C(c1cc2c(cn1)sc1ccccc12)N1CCOCC1 26840010 FGHBVZQFENUTPG-UHFFFAOYSA-N 298.367 2.922 0 1 CFAF NC(=O)CNc1ccc(OCc2cccc(Cl)c2)cc1 27655838 BYHQKKQXFQDXIA-UHFFFAOYSA-N 290.750 2.816 0 1 CFAF O=C1NC(=O)[C@@H](Cc2ccc3ccccc3c2)S1 29214797 OLOOKIQNTSJZJH-GFCCVEGCSA-N 257.314 2.734 0 1 CFAF CCCN(C(C)C)[C@@H]1COc2cccc(C(=O)OC)c2C1 26721093 FQVJYXWHSJKBKK-ZDUSSCGKSA-N 291.391 2.897 0 1 CFAF CC(=O)[C@H](C)[C@H](O)[C@@H](C)c1ccc(C)cc1C=CCO 2356628051 FTTQBBNJVTYJPS-DCGLDWPTSA-N 276.376 2.690 0 1 CFAF COP(=O)(OC)[C@@H](C)NC(=O)OCc1ccccc1 35654731 ZSMIGAVXKKRMRJ-JTQLQIEISA-N 287.252 2.745 0 3 CFAF Cc1nnc(SCc2cc(=O)c3ccccc3o2)o1 96911306 MURBMOBHCUOMEP-UHFFFAOYSA-N 274.301 2.777 0 1 CFAF Cc1ccc(Nc2ncc3c(n2)C[C@H](C)CC3=O)cn1 96282184 LNVIBVCDBGTKOO-VIFPVBQESA-N 268.320 2.689 0 1 CFAF Cc1ccc(-c2nc(=O)c3nn(-c4ccccc4)cc3[nH]2)o1 653767636 NJNILLUPVYYOGU-UHFFFAOYSA-N 292.298 2.677 0 1 CFAF N=c1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c[nH]1 587079757 GNJJYDGRWYPSQA-LBPRGKRZSA-N 286.722 2.700 0 1 CFAF N=c1[nH]ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c12 586891013 RRHPBQPCGBTTIU-SJKOYZFVSA-N 276.343 2.742 0 1 CFAF C[C@H](Sc1ncccn1)c1nc2cccc(O)c2[nH]1 586964225 ZKQUCHAJEPXTBI-QMMMGPOBSA-N 272.333 2.912 0 1 CFAF O=C(O)c1cccc2nc(CCc3cccc(O)c3)[nH]c12 586895818 AHAFMFLEXSEEET-UHFFFAOYSA-N 282.299 2.752 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccc(O)cc1O)[C@@H](C2)C3=O 587448875 HNSPAOLJIUJHBB-SJCJKPOMSA-N 298.294 2.595 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nccs1)O2 587413535 PDBSJODMCHNPDQ-CQSZACIVSA-N 274.345 2.914 0 1 CFAF Oc1ccc2nc(C(F)(F)c3ccccn3)[nH]c2c1 587090666 USSAVROYNUMYAK-UHFFFAOYSA-N 261.231 2.804 0 1 CFAF NC(=O)Nc1ccc(-c2nc3c(F)cc(F)cc3[nH]2)cc1 587244149 XMUKMDBIPHIOOT-UHFFFAOYSA-N 288.257 2.999 0 1 CFAF CC(=O)SCCC[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587408428 GJDUUWVBOHJCGV-NSHDSACASA-N 293.388 2.971 0 1 CFAF Cc1ccc(C(=O)Nc2cc3nccnc3nc2C)cc1 1772644383 ODMNOYCXTREBSL-UHFFFAOYSA-N 278.315 2.894 0 1 CFAF C[C@]12CC[C@@]3(CO)CO[C@H](c4ccccc4O1)[C@@H]2C3 12654214 JPABUXDNLBKOTH-LCGIIJARSA-N 260.333 2.688 0 1 CFAF O[C@@]1(c2ccc(-c3nccs3)cc2)CN2CCC1CC2 13757112 QUTGJRIRGTXYKW-MRXNPFEDSA-N 286.400 2.723 0 1 CFAF CN1C=CN(COC/C=C/C(C)(C)C)C1=CN=O 1857539384 UUFKGOHHOOXTQR-FCOILQGYSA-N 251.330 2.847 0 1 CFAF COC(=O)CC=C1c2ccccc2OC[C@@H](OC)[C@@H]1C 1857622632 APVLMEMJLXYXSR-IAQYHMDHSA-N 276.332 2.677 0 1 CFAF Fc1cccc(-c2noc(C[C@@H]3CN4CCC3CC4)n2)c1 1857556386 PKSSEVNOBATOFQ-CYBMUJFWSA-N 287.338 2.760 0 1 CFAF CCN1c2ncccc2C(=O)N(C)c2ccc(Cl)nc21 6385161 YSEMEGXOKULCML-UHFFFAOYSA-N 288.738 2.878 0 1 CFAF in-vivo CCCCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN 29127618 XAFDYZFDMXIOPG-DOTOQJQBSA-N 274.408 2.552 0 1 CFAF Cc1cc2c(cc1O)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1[C@@H](O)C2 2356393210 CRCGZPVGNSFIDX-ZVZYQTTQSA-N 288.387 2.881 0 1 CFAF CC(=CCOc1c2occc2cc2ccc(=O)oc12)CO 2356617835 SYEZZRGTJNNHEL-UHFFFAOYSA-N 286.283 2.857 0 1 CFAF CO[C@@H]1OCC2=C3CC(C)(C)[C@H](O)[C@@H]3[C@@H](C)CC[C@H]21 2356813271 CFFMFQWHVUGANZ-HFTJKPBSSA-N 266.381 2.739 0 1 CFAF O=C1CCc2cc(-c3ccncc3)cc3c2N1CC3 71316170 NIQTXFWYMYCJFB-UHFFFAOYSA-N 250.301 2.584 0 1 CFAF CC(C)Cc1nc2nc(N)nc(N)c2cc1C(C)C 45202351 WZKOSBUPWGZZMQ-UHFFFAOYSA-N 259.357 2.511 0 1 CFAF O=C1c2ccccc2-c2cnn(-c3ccc(O)cc3)c21 1911582002 VMLJIZKQTBMLEI-UHFFFAOYSA-N 262.268 2.789 0 1 CFAF COC(=O)/C(C)=C1/OC(=O)C(/C=C/c2ccccc2)=C1O 40404707 CWZHLZUGVHZPQJ-ANVLWLQNSA-N 286.283 2.516 0 1 CFAF CCOC(=O)c1c(N2CCCC2)[nH]c2ccc(O)cc12 40566774 NGGKXGZQIYRBOB-UHFFFAOYSA-N 274.320 2.650 0 1 CFAF O=C(Oc1cccc2oc(=O)[nH]c12)c1ccccc1Cl 95604218 YIWHBVFDBIFBIT-UHFFFAOYSA-N 289.674 2.994 0 1 CFAF CC[C@@]1(C)C[C@H]1c1nc2cc(C(=O)OC)ncc2[nH]1 586892675 VKYIYOMFFYUDRN-RTHLEPHNSA-N 259.309 2.648 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(COC(C)C)O2 587398408 CODMQBHUKACYGT-OAHLLOKOSA-N 263.337 2.726 0 1 CFAF CC(C)(C)[C@H](N)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587257564 GOEJMSMIRRPROC-CYBMUJFWSA-N 287.342 2.934 0 1 CFAF Cc1nc(C)c(Cc2nc3ccc(CO)cc3[nH]2)s1 587013154 XWSIROJCDDMKHM-UHFFFAOYSA-N 273.361 2.719 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(O)c1N)O2 587389902 MWLNUBOOALHGSQ-QGZVFWFLSA-N 298.342 2.746 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(CCSC)[C@@H](C2)C3=O 587453834 ULVOQKAWDXMJRO-XHDPSFHLSA-N 278.373 2.954 0 1 CFAF N=c1[nH]ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 587161417 NRCRJIGVRBCSBO-GHMZBOCLSA-N 268.295 2.781 0 1 CFAF CCN1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@H](C)C1 587395481 MUPRSARJCMQMLT-YVEFUNNKSA-N 288.391 2.643 0 1 CFAF CCCC[C@@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963490519 KKFRFUUXKUAFMS-STQMWFEESA-N 263.337 2.531 0 1 CFAF Cc1sc2c(c1C)CCN[C@]2(C)c1ccncc1N 963020940 IQGJSJKGXBGENT-OAHLLOKOSA-N 273.405 2.751 0 1 CFAF Cc1ccnc2c1CCN[C@@H]2c1nccn1-c1ccccc1 963070666 PNXNXWIDOKDVTD-KRWDZBQOSA-N 290.370 2.811 0 1 CFAF Cc1c(F)ccc2c1[C@]1(CC[C@H]3CC[C@H]1N3C)NCC2 962095916 YHRJAXAQMBFFPF-FRFSOERESA-N 274.383 2.732 0 1 CFAF Cc1nn(-c2cc(C(=O)O)ccn2)c(O)c1-c1ccccc1 146641514 VMLMHVMQZCMCBR-UHFFFAOYSA-N 295.298 2.647 0 1 CFAF NC(=O)[C@@]1(c2ccccc2)Nc2ccccc2S1 5593593 MPXTUOXGMAPEPQ-AWEZNQCLSA-N 256.330 2.543 0 1 CFAF CCN(CC)CCOC[C@H]1CCCN2CCCC[C@H]12 5833069 NVHIJVKEEILZGK-HZPDHXFCSA-N 268.445 2.609 0 1 CFAF COc1ccc(-c2cc(=O)c3cc4c(cc3[nH]2)OCO4)cc1 5503235 NDNZFEQAUOGRDA-UHFFFAOYSA-N 295.294 2.932 0 1 CFAF COc1cc(/C=C\C=C\C(=O)N2CCCCC2)ccc1O 13409173 IUGIGWWOEYFTDM-KYPMKJFLSA-N 287.359 2.983 0 1 CFAF endogenous,in-man CCCN(CCC)[C@@H]1CCn2c(ccc2CN(C)C)C1 13642187 ZJULUTHVMWQMLJ-OAHLLOKOSA-N 277.456 2.987 0 1 CFAF C/C1=C/C[C@H](O)[C@H](C)C[C@@H]2OC(=O)[C@@H](C)[C@@H]2CC1 14453716 LAOQYXNUSDEVJK-GTHADRQJSA-N 252.354 2.681 0 1 CFAF endogenous,in-man COC(=O)c1cc2c(cc1OC)ncn2-c1ccccc1 3832267 AIARRPNZZRCXGD-UHFFFAOYSA-N 282.299 2.821 0 1 CFAF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1nc2ccccc2s1 101055360 GXTJRDCRVROIFI-RQSQLSILSA-N 296.351 2.608 0 1 CFAF COc1ccc2c(c1)O[C@H]1C[C@]1(c1ccccc1OC)C2=O 100068757 NITQIVCVKLRJDP-FUHWJXTLSA-N 296.322 2.989 0 1 CFAF in-vitro CCC=CC[C@H](O)C=CC=C[C@@H]1CC[C@@H](O)[C@@H](C)N1C 2356486453 SSXVPIUBXLMMTO-WCXIOVBPSA-N 279.424 2.660 0 1 CFAF C[C@@H]1CC(=O)NN=C1c1ccc(N(C)c2ccncc2)cc1 40503797 OEKLJQOELHPUMX-GFCCVEGCSA-N 294.358 2.710 0 1 CFAF C[C@H]1NCCCN(c2ccc(Cl)c(Cl)c2)C1=O 143971168 RMMLIJYUEZXTDN-MRVPVSSYSA-N 273.163 2.708 0 1 CFAF COc1cc2ccc(=O)oc2c2c1C=CC(C)(C)O2 238785628 NKMCEBFLLLXBLJ-UHFFFAOYSA-N 258.273 2.986 0 1 CFAF CC1=CCC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 299810087 GSVWPONNFJXHJL-XOBFJNJYSA-N 250.338 2.842 0 1 CFAF COc1cc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2cn1 586900447 CBXFCSQOWMGFAU-RISCZKNCSA-N 281.315 2.536 0 1 CFAF CC[C@H]1OCCC[C@@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 586910330 HTRUVXVMVAJJII-ISVAXAHUSA-N 286.335 2.817 0 1 CFAF CC[C@@H]1OCCC[C@H]1c1nc2cnc(Cl)[nH]c-2n1 586912271 NPAKCGQTPKZJPD-APPZFPTMSA-N 266.732 2.631 0 1 CFAF Cc1cncc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c12 586906320 LBJNPEPYIBBZBE-MLPAPPSSSA-N 277.283 2.935 0 1 CFAF C=C(NC(C)=O)c1nc2ccc(Br)c(C)c2[nH]1 587202965 JGGLOPAOWVGKPL-UHFFFAOYSA-N 294.152 2.741 0 1 CFAF N[C@]1(c2nc3cccc(O)c3[nH]2)C[C@H]1c1ccccc1F 587156677 PBARAHKLLUZGKT-MGPLVRAMSA-N 283.306 2.749 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C)on1)O2 587394409 GMBKJOGTOSMNOC-OAHLLOKOSA-N 272.304 2.754 0 1 CFAF CN1C=CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587519337 ZHDXFBASJTUTQQ-GOSISDBHSA-N 297.354 2.645 0 1 CFAF CC(C)Oc1ccc2nc(C[C@@H](C)N(C)C)[nH]c2c1 587190615 IUFWHRGBFONBNN-LLVKDONJSA-N 261.369 2.843 0 1 CFAF O=C1C[C@H](c2cc[nH]n2)Oc2c1ccc1c2CCCC1 587528447 ZXNXUKVQEGJWSE-OAHLLOKOSA-N 268.316 2.995 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1ccncc1)[C@@H](C2)C3=O 587436329 NYQFJPSPLJOBLS-GUYCJALGSA-N 281.311 2.753 0 1 CFAF Cc1cc2c(cc1F)[C@]1(CCCCn3nccc31)NCC2 962381420 YDTIXKGPCXLAGV-KRWDZBQOSA-N 285.366 2.904 0 1 CFAF c1ccc(-c2cnc(NCc3ccco3)n3cnnc23)cc1 1772601409 SOAAMBFMHFMYFB-UHFFFAOYSA-N 291.314 2.996 0 1 CFAF Clc1ncc([C@H]2C[C@H]3CC[C@H]2N3)cc1-c1cncnc1 1772599609 SNAGHARKABPOIK-YRGRVCCFSA-N 286.766 2.800 0 1 CFAF CC1=C[C@H](C)[C@@H](C)N(CC2=NCCN2)c2ccccc21 5551466 JPTHAHKJDYSVKJ-GXTWGEPZSA-N 269.392 2.936 0 1 CFAF O=C(NCCc1ccccc1)[C@H]1CCCC[C@@H]1CCO 5836332 SNNRJVVVYCOTCE-CVEARBPZSA-N 275.392 2.534 0 1 CFAF CCN1CC=C(c2c[nH]c3ccc(NC(C)=O)nc23)CC1 13523821 CINLYSVVMFMYQH-UHFFFAOYSA-N 284.363 2.630 0 1 CFAF CC1=C[C@H]2Cc3nc(O)ccc3[C@]3(C1)NCCC(C)=C23 13442451 OBAHRUDJHVVJQM-SJCJKPOMSA-N 268.360 2.815 0 1 CFAF Cc1coc2cc3c(cc12)C(=O)O[C@H]([C@H](C)O)C=C3 15148254 AXXZXNFRMSHHDP-ZANVPECISA-N 258.273 2.674 0 1 CFAF O[C@@]12CC[C@]3(O)c4ccccc4[C@@H]3[C@@H]1c1ccccc12 17220221 IBFYXVGIKWIZIM-FZDBZEDMSA-N 264.324 2.750 0 1 CFAF CCOC(=O)[C@H]1C(C)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 169700204 NCBIHQLXQNNRPV-NWDGAFQWSA-N 294.738 2.745 0 1 CFAF CCC[C@]1(C(=O)OCC)CC[C@@]2(c3ccccc3)O[N@]21 1857579615 KRKSCNCTBHZUGE-IKGGRYGDSA-N 275.348 2.982 0 1 CFAF Cc1ccccc1OCC(=O)Nc1ccc2cncnc2c1 1857600477 ATQVXQRNULONIM-UHFFFAOYSA-N 293.326 2.956 0 1 CFAF COc1cc(Cl)ccc1-c1nc2cnncc2[nH]1 59162169 LWGOJPCUGYOILV-UHFFFAOYSA-N 260.684 2.682 0 1 CFAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1OCC2=O 26975743 FANDDLFIYCQQPS-HDEZJCGLSA-N 272.344 2.806 0 1 CFAF O=c1c2c(nc3n1Cc1cc4ccccc4nc1-3)CCCC2 26173535 ALTRIBDAHXVMAQ-UHFFFAOYSA-N 289.338 2.699 0 1 CFAF C[C@@]1(C(F)(F)F)OC(NC2CCCCCCC2)=NC1=O 28823987 GRTMACKGPNIOMO-GFCCVEGCSA-N 292.301 2.923 0 1 CFAF CO[C@@](C)(C=C[C@@H](O)C(C)C)C1CCC(C)(NC=O)CC1 2356677627 GWYOMVLIZRMWIS-MYBQVCMBSA-N 297.439 2.660 0 1 CFAF C[C@]1(c2ccccc2)C(=O)Nc2ccccc2C1=O 28976883 YUZYUJAXSZJRBF-MRXNPFEDSA-N 251.285 2.779 0 1 CFAF COC(=O)[C@@]1(NC(=O)c2ccccc2)C[C@@H]1c1ccccc1 39378575 LGIDKESKAMWAIV-CRAIPNDOSA-N 295.338 2.516 0 1 CFAF CC(=O)[C@]12C[C@@]3(C)CCCN(C(=O)N[C@@H]1c1ccccc1)[C@@H]32 72136054 ONTKFHSXUVMCCB-CYGHRXIMSA-N 298.386 2.901 0 1 CFAF C[C@@H]1Oc2cc(Cl)ccc2C(=O)[C@H]1n1ccnc1 40556624 RWXITOGGVCCDOC-UFBFGSQYSA-N 262.696 2.741 0 1 CFAF CC(=O)Cc1cc2cccc(O)c2c(O)c1C(C)=O 83924392 SGSNFWBUTGZVOW-UHFFFAOYSA-N 258.273 2.585 0 1 CFAF in-vitro COc1cc(C=O)ccc1C1=NO[C@H](c2ccccn2)C1 96142522 MDETVMGSFKMJIV-INIZCTEOSA-N 282.299 2.768 0 1 CFAF Cc1cc(Cl)cc2nc(C3(O)CCOCC3)[nH]c12 586912291 BPFREZLNBSDNQL-UHFFFAOYSA-N 266.728 2.523 0 1 CFAF COc1cc(OC)c2[nH]c(C3CCC(N)CC3)nc2c1 587257093 ZAGXPFAUGJBBJH-UHFFFAOYSA-N 275.352 2.565 0 1 CFAF Oc1nc(O)c2ccc(-c3ccc4ncccc4c3)nc2n1 587556180 UHCPLWIUDOMILW-UHFFFAOYSA-N 290.282 2.651 0 1 CFAF Clc1c[nH]c2nc(-c3ncccc3Cl)nc-2n1 587064757 FUPUXNIYJORAQW-UHFFFAOYSA-N 266.091 2.673 0 1 CFAF COc1ccc(-c2nc3ccc(O)cc3[nH]2)c(Cl)n1 587083703 HBOZWZRWCXXVLX-UHFFFAOYSA-N 275.695 2.993 0 1 CFAF COc1cc2nc(-c3cnc(N(C)C)nc3C)[nH]c2cc1C 587194635 KNMPAHYRMLZEJM-UHFFFAOYSA-N 297.362 2.711 0 1 CFAF COC(=O)Nc1ccc(-c2nc3c(OC)nccc3[nH]2)cc1 587244095 WOIIDEVTHOCCND-UHFFFAOYSA-N 298.302 2.812 0 1 CFAF Cc1c(F)ccc2c1[C@H](c1ccnn1C(F)F)NCC2 962148798 UYKHWYXKLOKRAF-ZDUSSCGKSA-N 281.281 2.961 0 1 CFAF COc1ccc(C2=Nc3ncnn3[C@@H](c3ccco3)C2)cc1 13123341 YLDHFGHKBFGQCE-CQSZACIVSA-N 294.314 2.994 0 1 CFAF COc1ccc2c(c1)[C@@H](c1ccc3c(c1)OCO3)CC(=O)O2 13813854 SEBBCXCYEUCLQV-GFCCVEGCSA-N 298.294 2.865 0 1 CFAF Cc1nc2ncnn2c2c1CCN2[C@@H](C)c1ccccc1 13972165 KLHJCRXZKQLXFF-LBPRGKRZSA-N 279.347 2.556 0 1 CFAF CCCC[C@H](C)Nc1ncnc2c(C(N)=O)cccc12 167020753 WZESJDUPZOHZCU-JTQLQIEISA-N 272.352 2.719 0 1 CFAF c1ccc(Nc2cc3[nH]c(-c4cccnn4)nc3cn2)nc1 1857638812 ZSXIGHJCZSXQJT-UHFFFAOYSA-N 289.302 2.554 0 1 CFAF Oc1ccc2c(c1)O[C@H](CNCc1ccccc1)CC2 13775957 DWUAAOIZQFTYQP-INIZCTEOSA-N 269.344 2.876 0 1 CFAF CC1=Nc2ncnn2[C@H](c2ccccn2)/C1=C(\O)OC(C)C 101829955 YWSARRPFFSFLNM-MNWMYKRDSA-N 299.334 2.563 0 1 CFAF aggregator CCCCNC(=O)[C@@]1(C)CCN1C(=O)c1sccc1C 61896965 PHKPJHGUCXFDEL-OAHLLOKOSA-N 294.420 2.577 0 3 CFAF OCC[C@]12N[C@H](Cc3ccccc31)c1ccccc12 27883311 RMUFJRNMXTXAFQ-SJORKVTESA-N 251.329 2.513 0 1 CFAF O=Cc1ccc2c(c1)N(O)c1ccc(O)cc1N2O 2356835667 KTYVTQGOQPBSQY-UHFFFAOYSA-N 258.233 2.573 0 1 CFAF COc1ccccc1C[C@@H](c1ccccc1)N1CCNCC1 36093206 PFTJCYRHNKTTTO-SFHVURJKSA-N 296.414 2.884 0 1 CFAF in-vivo C[C@]12CC[C@H]3[C@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O 34801422 DOFRSNSWULWZJS-CVVPBNBXSA-N 289.419 2.645 0 1 CFAF CCCCCCN1C(=O)CS[C@H]1C1=CCCN(C)C1 45299266 GMGVHBZHWKUYNH-HNNXBMFYSA-N 282.453 2.730 0 1 CFAF COc1ccc2nc(COc3ccc(C)cc3OC)[nH]c2n1 587564036 FSVBLHMOFFMFKM-UHFFFAOYSA-N 299.330 2.863 0 1 CFAF Cc1ccc2nc(-c3ccc(CC(=O)O)c(N)c3)[nH]c2c1 587250308 RKUUHMLVKHSAQA-UHFFFAOYSA-N 281.315 2.748 0 1 CFAF CC(=O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587523283 KSTSMXKTHZVUMD-INIZCTEOSA-N 258.317 2.878 0 1 CFAF CC(=O)Nc1ccc(Cl)c(-c2nc3cncnc3[nH]2)c1 587050798 QXWRTODDCMMRRL-UHFFFAOYSA-N 287.710 2.632 0 1 CFAF CC1=C(C)[C@]2(CC1)N[C@H](C(=O)O)Cc1cccc(F)c12 962904415 VSUHGTDLLNOQGS-BBRMVZONSA-N 275.323 2.750 0 1 CFAF CC(C)=CCCC(C)=CCN1C(=O)CN(C)C1=O 1857742274 TWMCIHUWAQTNFP-UHFFFAOYSA-N 250.342 2.573 0 1 CFAF Cc1c(-c2c[nH]c3nccc-3c2)ccc2c1CCNC2=O 1857562435 LYFUXNHZMYVIPT-UHFFFAOYSA-N 277.327 2.776 0 1 CFAF Fc1cccc(OCc2cc(OC[C@@H]3CCCN3)no2)c1 1857575172 ACVNPIMZEQGLQW-LBPRGKRZSA-N 292.310 2.524 0 1 CFAF CC(C)c1cccc([C@@H](C)C(=O)NCCCN(C)C)c1 13646277 GFBROZZPAXQPMO-CQSZACIVSA-N 276.424 2.981 0 1 CFAF O=C1c2ccccc2OC[C@@]12O[C@]21C=CC(Cl)=CC1 1658167 CRBUDKIYSKYRSV-LSDHHAIUSA-N 274.703 2.852 0 1 CFAF C[C@@H]1COc2ccccc2N1C1=NC(=O)C(C)(C)S1 103182513 NJVSRTWKLOMJJC-SECBINFHSA-N 276.361 2.682 0 1 CFAF COc1cccc2c(=O)n(C3C[C@@H]4CC[C@@H](C3)N4C)ccc12 101755849 YTLYUJYDNPACCC-STQMWFEESA-N 298.386 2.808 0 1 CFAF O=C(OCC12CCN(CC1)CC2)c1c[nH]c2ccccc12 59185276 ACPBVAMJRNJOFH-UHFFFAOYSA-N 284.359 2.811 0 1 CFAF O=[n+]1cc(-c2cccc3ccccc23)n(O)c2c1CCC2 103676648 WTZPIZAJWINCAN-UHFFFAOYSA-N 279.319 2.949 0 3 CFAF C[C@H]1Cc2c(c3cccnc3n(-c3ccccc3)c2=O)O1 28762098 WEWRTHHBZZTDFM-NSHDSACASA-N 278.311 2.709 0 1 CFAF COc1ccc2c(c1)[C@]13CCN(C)[C@H](C2)[C@H]1[C@H](C)CC(=O)C3 29476077 FVZCKWRBLLZDHV-HAFFEQERSA-N 299.414 2.808 0 1 CFAF Cc1ccc(Cl)c(NC(=O)[C@](C)(O)C(F)(F)F)c1 26383109 WTOCWDCTZLTROO-JTQLQIEISA-N 281.661 2.900 0 1 CFAF CC1=C[C@@H]2[C@H](CC1)C(C(=O)O)=C[C@@H](O)[C@@H]2C(C)C 2356543848 ZLYNIGWZDMTJTK-OIMNJJJWSA-N 250.338 2.617 0 1 CFAF CN(C)[C@H]1CCN(c2ncnc3c2sc2ccccc23)C1 73196949 FVILIXGYXCFRAO-NSHDSACASA-N 298.415 2.985 0 1 CFAF O=P(O)(O)/C=C\CCSc1cc(F)ccc1O 31260506 UXOYJQMPYTYCMG-KTAJNNJTSA-N 278.241 2.705 0 1 CFAF in-vitro COc1ccc(-c2c(-c3ccc(OC)cc3)c(=O)c2=O)cc1 34528702 KCYKOJYPEZFWGR-UHFFFAOYSA-N 294.306 2.634 0 1 CFAF COc1cccc(C[C@@H](c2ccccc2)N2CCNCC2)c1 34184513 CTAHXNUPBZTDFO-IBGZPJMESA-N 296.414 2.884 0 1 CFAF in-vivo CCC(=O)NC[C@H](C)c1cn(C)c2ccc(OC)cc12 35786157 HYYGFBAJUJYMSD-NSHDSACASA-N 274.364 2.817 0 1 CFAF CNc1ncc(-c2nc3ccc(O)cc3s2)cn1 49525749 XWIYHNUKKMYQKU-UHFFFAOYSA-N 258.306 2.501 0 1 CFAF COc1c(O)cc(O)c(C(=O)CCc2ccccc2)c1O 149616659 ZJTBMANLFWYXGB-UHFFFAOYSA-N 288.299 2.628 0 1 CFAF Cc1ccc2c(c1)[C@@](O)(c1c[nH]c3ccc(C)cc13)C(=O)N2 299829150 KROPNVSRGIBZJE-GOSISDBHSA-N 292.338 2.973 0 1 CFAF C[C@@H](Cc1nc2ccc(Br)cc2[nH]1)N(C)C 587189749 DPKMALNILDARJX-QMMMGPOBSA-N 282.185 2.818 0 1 CFAF CNC(=O)[C@@H]1C[C@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1 587234659 HVKTVZUEVIJMDN-GHMZBOCLSA-N 271.364 2.710 0 1 CFAF CC(=O)c1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n(C)c1 587390290 LVZRDIMSVFYRBS-INIZCTEOSA-N 298.342 2.825 0 1 CFAF COc1ccc(OC)c(-c2nc3c(C)nccc3[nH]2)c1OC 587926122 HSGVJONVDSGGEB-UHFFFAOYSA-N 299.330 2.959 0 1 CFAF O[C@H]1C[C@H](c2nc3nc(Cl)c[nH]c-3n2)c2ccccc21 586902818 MMEGISGIAPCBJI-UWVGGRQHSA-N 286.722 2.527 0 1 CFAF Cc1cncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587393890 BIKUYSVVXDIKEW-OAHLLOKOSA-N 268.316 2.987 0 1 CFAF Cc1nc[nH]c1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587876356 RGOOQTQTEJQJPL-UHFFFAOYSA-N 284.250 2.515 0 1 CFAF CCCCCN(CCCCC)C(=O)[C@@H](N)CCCCN 168389429 FARNAWALVYSTAV-HNNXBMFYSA-N 285.476 2.652 0 1 CFAF COc1cc(/C=C/c2ccccc2)oc(=O)c1OC 13434413 ABRZDKKKCLXJFO-CMDGGOBGSA-N 258.273 2.827 0 1 CFAF CCC(=O)NCCc1cccc2ccc(OC)cc12 13650487 AGFPIMUSQHDOJP-UHFFFAOYSA-N 257.333 2.917 0 1 CFAF COc1c2c(c(OC)c([C@@H](C)O)c1OC)C=CC(C)(C)O2 14811174 UBNAMJCLZOWSTQ-SECBINFHSA-N 294.347 2.950 0 1 CFAF COC(=O)CC=C1c2ccc3c(c2[C@@H](OC)[C@@H]1C)OCO3 1857623242 ZQDNTSRZBRBSHA-PSLIRLAXSA-N 290.315 2.699 0 1 CFAF CCCCCC[C@H](CF)n1cnc2c(N)ncnc21 12405464 BZGBGVHPKHFDDM-SNVBAGLBSA-N 265.336 2.890 0 1 CFAF CC[C@@](O)(C(=O)NCCc1ccccc1)c1ccccc1 13586429 YTAXBENGUQQEEQ-SFHVURJKSA-N 283.371 2.643 0 1 CFAF COc1cccc2c1C[C@H](Cc1ccncc1)C2=O 13736287 XENHQKHMSKWYCD-LBPRGKRZSA-N 253.301 2.688 0 1 CFAF O=C(O)c1cccc(OCc2ncc3ccccc3n2)c1 26493733 QQPTVHISUSQTAD-UHFFFAOYSA-N 280.283 2.907 0 1 CFAF CC1=C[C@H](CO)[C@H](C(C)C)C[C@H]1Cc1nnc(C)o1 2356320816 ORKBQXNJEYEYHX-MJBXVCDLSA-N 264.369 2.767 0 1 CFAF NCC1CN(C2c3ccccc3CCc3ccccc32)C1 1995647 NIJTYTBBOAANFT-UHFFFAOYSA-N 278.399 2.765 0 1 CFAF COc1cccc(CCNc2ncnc3ccc(N)cc23)c1 3629253 FDVSUOPMXSTSLG-UHFFFAOYSA-N 294.358 2.875 0 1 CFAF COC(=O)C1=C[C@H]2[C@@H](CC1)[C@H](C)CC[C@H]2[C@H](C)CO 2356430047 CFSREXCFEGBBPB-MFHWUAJNSA-N 266.381 2.787 0 1 CFAF Clc1ccc(/N=c2\nc3n(s2)CCS3)cc1 103181376 OEDQNXHODSTLFC-FMIVXFBMSA-N 269.782 2.936 0 1 CFAF CCc1ccc(N[C@H]2N=C3C=C(C)NN3S2)cc1 100475360 BGINRLICKFVLEV-ZDUSSCGKSA-N 260.366 2.729 0 3 CFAF COc1c2c(c3oc(=O)ccc3c1OC)C(C)(C)[C@@H](C)O2 2356524643 MGFFZNKRBBPGSK-MRVPVSSYSA-N 290.315 2.869 0 1 CFAF C[C@@H]1C(=O)O[C@@H]2C[C@@H]3C(=O)CC[C@H](C)[C@@]3(C)C[C@H]12 2356801275 RLDRZSAZEAWMSP-SLBWMWDQSA-N 250.338 2.579 0 1 CFAF Cc1nc(NCc2ccc(C)o2)cc(C2CCNCC2)n1 39542330 FGZACOMIXKSQMI-UHFFFAOYSA-N 286.379 2.766 0 1 CFAF CCCn1c(C)c2c(c1C)[C@@](C)(C(N)=O)CC2(C)C 39215394 INCRYIDJWMKLLT-INIZCTEOSA-N 262.397 2.939 0 1 CFAF Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCC1 34802267 FXPSOZQCBXDQGT-UHFFFAOYSA-N 258.369 2.837 0 1 CFAF CCOC(=O)/C(=C\NC(C)(C)C)c1nc2ccccc2[nH]1 31905324 JTRAJTYBRPARLC-KHPPLWFESA-N 287.363 2.855 0 1 CFAF O=Cc1nccn1Cc1coc(-c2ccc(F)cc2)n1 72103570 ZKCQBJWZKRJFTM-UHFFFAOYSA-N 271.251 2.538 0 1 CFAF CCC[C@@H](C)Nc1ncnc2cnc(N(C)C)cc12 40973098 ITXSJSUWVPCLHX-SNVBAGLBSA-N 259.357 2.691 0 1 CFAF CC(=O)N[C@@H](c1ccccc1)c1ccc(OC(C)=O)cc1 138714565 JWAHINDJAZEICB-KRWDZBQOSA-N 283.327 2.837 0 1 CFAF CC(C)(O)c1cncc(-n2ncc3cc(C#N)ccc32)c1 221340783 BIWXIDYEYCQZEV-UHFFFAOYSA-N 278.315 2.520 0 1 CFAF CN(C)CCCCOC(=O)c1coc(-c2cccs2)n1 82086413 FRSACNUCIXKVIW-UHFFFAOYSA-N 294.376 2.902 0 1 CFAF CCCc1c(C)nn2c(=O)cc(-c3ccc(OC)cc3)[nH]c12 653631974 BYSWJWQTNFTSNG-UHFFFAOYSA-N 297.358 2.959 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cnccc1C)[C@@H](C2)C3=O 587435872 JOVVUYLXYKOESY-YVEFUNNKSA-N 281.311 2.887 0 1 CFAF COC(=O)c1ccnc2[nH]c(CCc3ccccc3F)nc12 587151438 YMRXYTNKXLSUBL-UHFFFAOYSA-N 299.305 2.669 0 1 CFAF CC[C@@H]1OCCC[C@@H]1c1nc2c(Cl)ncnc2[nH]1 586912406 OMKPPHGEBOBCDI-YUMQZZPRSA-N 266.732 2.679 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@H](CC(=O)O)C1)O2 587410137 YHFYBXHTRGBUHR-QFYYESIMSA-N 289.331 2.556 0 1 CFAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccc(Cl)nc2[nH]1 587961120 DHFMMJDZEQQYLC-HTQZYQBOSA-N 263.728 2.769 0 1 CFAF Cc1cc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)no1 587875594 RSPMAGLOPGXFQP-UHFFFAOYSA-N 285.234 2.780 0 1 CFAF O=C(/C=C/c1nc2ccc(CO)cc2[nH]1)Nc1ccccc1 587244568 PPROSTBWQYGNBG-CMDGGOBGSA-N 293.326 2.707 0 1 CFAF CCCOC(=O)C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397950 CGNCUAGOEJTQCA-MRXNPFEDSA-N 291.347 2.644 0 1 CFAF Nc1ncccc1Cc1nc2cc(Cl)cc(F)c2[nH]1 587254783 ZJIAGAXHWNZOOQ-UHFFFAOYSA-N 276.702 2.923 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1csc(C)n1)[C@@H](C2)C3=O 587450928 MEJVHAWTNSCRSO-ZUZCIYMTSA-N 287.340 2.949 0 1 CFAF COC(=O)[C@H]1CC[C@@H](C(C)C)[C@@]12CC=C(C)[C@@H](O)C2 143195639 UOWPRQGHXKLWDQ-FQLMCAECSA-N 266.381 2.929 0 1 CFAF C[C@@H]1C(=O)CC[C@]2(C)CC[C@@H]3[C@@H](C)C(=O)O[C@H]3[C@@H]12 13143015 BXRGGUXPWTWACZ-TVDWPHIXSA-N 250.338 2.579 0 1 CFAF endogenous,in-man CCCCSC1=N/C(=C\c2ccccc2O)C(=O)N1 6379455 CDTMJWQVQDLPGK-LUAWRHEFSA-N 276.361 2.752 0 1 CFAF O=C(N[C@H]1CN2CCC1CC2)c1cccc2ccccc12 6000220 UANSQQFYKHHDJM-KRWDZBQOSA-N 280.371 2.664 0 1 CFAF NC1=N[C@@H](c2ccc(Cl)cc2C(F)(F)F)CO1 113977543 FTJTYSRRHYGDNG-MRVPVSSYSA-N 264.634 2.745 0 1 CFAF CC(=O)N(C)/C=C/c1cccc(Br)c1 28705457 OFZNRBLTUUPATB-VOTSOKGWSA-N 254.127 2.898 0 1 CFAF CC1=CC=CC2=NC[C@@H](C(=O)c3ccc(C)cc3)CN12 43016017 SGAZRZRRCAVLNJ-OAHLLOKOSA-N 266.344 2.982 0 1 CFAF CCCCNc1ccc(F)c([C@]2(C)COCC(N)=N2)c1 143028191 FMVKCRWWNAQUEF-HNNXBMFYSA-N 279.359 2.640 0 1 CFAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)OC[C@@H](C)O 95626051 FLYJSXDJKBHQAU-FVCCEPFGSA-N 258.358 2.981 0 1 CFAF in-man O=C(Cc1ccccc1)OCCc1ccc(O)cc1 142664885 LEHFWRIESDDBMM-UHFFFAOYSA-N 256.301 2.721 0 1 CFAF CCCC[C@H](N)[P@](=O)(O)[C@H](O)[C@H](C)c1ccccc1 253992257 URWFEJMYAFQRIB-BNOWGMLFSA-N 285.324 2.854 0 1 CFAF Cc1cncc2nc(-c3cc(=N)[nH]c4ccccc34)[nH]c12 587254452 UGJDRHVIERNYKF-UHFFFAOYSA-N 275.315 2.894 0 1 CFAF O=C(O)/C=C/c1ccccc1-c1nc2ccc(CO)cc2[nH]1 586878543 FYWPKRFGJUGAEH-SOFGYWHQSA-N 294.310 2.820 0 1 CFAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(N)c(N)cc2[nH]1 587195820 NYSNORKLLOHKLX-JTQLQIEISA-N 295.390 2.945 0 1 CFAF O=C(O)[C@H]1CCc2c(nc3cccc4c3c2CC4)C1 587215765 UWAQLFCWPCGSRM-JTQLQIEISA-N 253.301 2.523 0 1 CFAF CN(C)c1ncccc1-c1nc2ncc(Cl)cc2[nH]1 587195217 DWJKAYQYGOBTHG-UHFFFAOYSA-N 273.727 2.739 0 1 CFAF C[C@@]1([C@H]2CCCCC2=O)NCCc2ccc(O)cc21 963328204 DZIWRKHWVMXGAH-BBRMVZONSA-N 259.349 2.512 0 1 CFAF C[C@@H]1CC[C@]2(C1)NCCc1ccc(C(=O)N(C)C)cc12 962932534 QQGKRLQFBINTMK-SJKOYZFVSA-N 272.392 2.549 0 1 CFAF CO[C@@H]1CCCc2[nH]c(=Nc3cccnc3)sc21 1857769504 LTJQUYOAMHHLEB-LLVKDONJSA-N 261.350 2.727 0 1 CFAF COc1ccc2ccc(OC)c(CCNC(=O)C3CC3)c2c1 13741579 XFLRJXFELAMQAW-UHFFFAOYSA-N 299.370 2.926 0 1 CFAF O[C@H]1C[C@H]2[C@@H](c3ccccc3)Nc3cc(F)ccc3[C@H]2[C@H]1O 1857753258 CUCCIMURKYGDPG-DEORAPPZSA-N 299.345 2.818 0 1 CFAF O[C@@]1(c2ccccc2)c2cc(Cl)ccc2C2=NCCN21 13491091 TXMKWLMXNSUAPQ-INIZCTEOSA-N 284.746 2.609 0 1 CFAF NC(=O)[C@]1(c2ccccc2)Nc2ccccc2S1 1633808 MPXTUOXGMAPEPQ-CQSZACIVSA-N 256.330 2.543 0 1 CFAF CSc1nncc(-c2cc3c(c(SC)n2)CCC3)n1 1863717 DTZBOGHULNJXNW-UHFFFAOYSA-N 290.417 2.866 0 1 CFAF CC1=C2[C@H](/C=C(\C)C(=O)O)CC[C@@H](C)[C@@H]2[C@@H](O)C1 8586437 XJNQXTISSHEQKD-SPRMCFMFSA-N 250.338 2.761 0 1 CFAF in-man CCNCCCNCCCNC1CCCCCCC1 26577128 AOWSTODVFZXIOV-UHFFFAOYSA-N 269.477 2.668 0 1 CFAF CN(C)CCN1CC[C@@H](C2C3CC4CC(C3)CC2C4)C1 26267534 BIWRXSBRVYMAOD-NGBNYADNSA-N 276.468 2.942 0 1 CFAF CN(C)C(=O)N[C@H]1c2ccccc2Oc2ncccc21 28006515 BUQDAMKQADEIFI-ZDUSSCGKSA-N 269.304 2.548 0 1 CFAF Cc1cn([C@@H](c2ccccc2)[C@@H](O)CN)c2ccccc12 38213467 SNORKSVJXFFHHB-ROUUACIJSA-N 280.371 2.859 0 1 CFAF COc1ccc(C2=C(c3ccc(OC)cc3)C(=O)NC2)cc1 198771780 OYXUHXMHWMFUQL-UHFFFAOYSA-N 295.338 2.744 0 1 CFAF O=C(Nc1cccc(O)c1)C(=O)c1c[nH]c2ccccc12 45289345 GXOSDKYKGXSMTB-UHFFFAOYSA-N 280.283 2.695 0 1 CFAF CCOc1ccc(-c2cc(NCCOC)ncn2)cc1 82160308 JLQQVIAOGCAKJV-UHFFFAOYSA-N 273.336 2.601 0 1 CFAF COc1ccc2cc(-c3ccc(C(N)=O)cn3)oc2c1 49036551 DTLXNCUZLRAQRW-UHFFFAOYSA-N 268.272 2.602 0 1 CFAF CCCC1CCC2(CCC(=O)N2CCOC)CC1 96019308 AJLJGZPYFSMRNK-UHFFFAOYSA-N 253.386 2.984 0 3 CFAF Cc1cc2c(O)nc(O)nc2nc1[C@H](C)c1ccccc1 587560379 AWWOMFQAXJQMSE-SNVBAGLBSA-N 281.315 2.896 0 1 CFAF COc1cccc(-c2nc3ccnc(Cl)c3[nH]2)c1O 587787672 XOKOYAKVZMGHJG-UHFFFAOYSA-N 275.695 2.993 0 1 CFAF CC[C@H]1OCCC[C@H]1c1nc2ccc(C(=O)O)cc2[nH]1 586913753 SDCYTJDOSUBEKJ-ZWNOBZJWSA-N 274.320 2.934 0 1 CFAF CC1(C)[C@@H]2CC[C@@]1(C)c1nc3nc(O)nc(O)c3cc12 587562419 ZSOJIRUDWPBHGD-PSLIRLAXSA-N 271.320 2.611 0 1 CFAF COc1ccc2nc(Cc3ccc(CC(=O)O)cc3)[nH]c2c1 587961620 MBWGDUGZRQLFSP-UHFFFAOYSA-N 296.326 2.789 0 1 CFAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2c(O)ncnc2[nH]1 587933143 UIIXKFNPGJMLOD-QLJPJBMISA-N 296.330 2.512 0 1 CFAF NNCCCc1ccc(OCc2ccccc2)cc1 149265900 LNTNRDLLLQFSKU-UHFFFAOYSA-N 256.349 2.662 0 1 CFAF CC(=O)c1ccc(OCCCN2CCCCC2)cc1O 1772625005 LVJGPYVZOMLTSN-UHFFFAOYSA-N 277.364 2.850 0 1 CFAF CCN1c2ncccc2C(=O)N(C)c2ccc(C)nc21 5841756 INDZSXVDVYMLEE-UHFFFAOYSA-N 268.320 2.533 0 1 CFAF COc1ccc(-c2cc(=O)oc3cc(O)cc(O)c23)cc1 13328267 RVVQWGLEXIDBKI-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF CC(C)N(C[C@H](O)[C@]12CC[C@H](CC1=O)C2(C)C)C(C)C 169333692 RZTGNPULPMLTRT-KMFMINBZSA-N 281.440 2.862 0 1 CFAF CC(=O)N1CCc2cc(-c3cncc([C@H](C)O)c3)ccc21 169348881 LYJHVNQTZSAXBH-NSHDSACASA-N 282.343 2.711 0 1 CFAF C[C@@H]1CC[C@@H]2C(C)(C)C(=O)O[C@H]3O[C@]4(C)CC[C@@H]1[C@@]32O4 169364661 DETKYIOHRCKRIT-QLNNMBRKSA-N 280.364 2.853 0 1 CFAF Fc1ccccc1OCc1cc(OC[C@@H]2CCCN2)no1 1857605446 QKXVTZJUZOYJLT-NSHDSACASA-N 292.310 2.524 0 1 CFAF O=C1CC[C@]2(c3ccc(Cl)cc3)OCCCN12 3636662 ARVSFTLWQNLALI-CYBMUJFWSA-N 251.713 2.536 0 1 CFAF C[n+]1cccc2ccc(OC(=O)c3ccccc3)cc21 1648556 VHGLWZYDUCTHIV-UHFFFAOYSA-N 264.304 2.884 0 1 CFAF CC(C)=CC(=O)N[C@H]1CCCN(C=Cc2ccccc2)C1=O 2356347501 TUILJXOIOFNOER-INIZCTEOSA-N 298.386 2.731 0 1 CFAF Nc1ccc(-c2cncc([C@@H]3C[C@@H]4CC[C@@H]3N4)c2)cc1 100580098 KEUJFPCKMLEDQK-ULQDDVLXSA-N 265.360 2.939 0 1 CFAF CC[C@@H](C)CC(=O)Nc1cnn(Cc2c(C)noc2C)c1 116673993 WRUSTDDIUIVJFE-SNVBAGLBSA-N 290.367 2.911 0 1 CFAF CC(C)=CCc1ccc(O)c2c1[C@H](C[C@@H](O)[C@@H](C)O)OC2 2356475608 JUJNVXXKTUEQPG-LYRGGWFBSA-N 292.375 2.604 0 1 CFAF CC(=O)OCC=C(C)CCC=C(C)[C@@H](O)CC=C(C)CO 2356616231 SWPAEWHRBNFTCX-KRWDZBQOSA-N 296.407 2.912 0 1 CFAF CCCCN(C(C)=O)[C@H](CC)C(=O)NC1CCCCC1 2356849216 PTXYUQCTWNHEEB-OAHLLOKOSA-N 282.428 2.863 0 1 CFAF C[C@H](O)CCCCC[C@@H]1OC(=O)Cc2cc(O)cc(O)c21 45347740 LWACOKGHBDKWPN-HZMBPMFUSA-N 294.347 2.570 0 1 CFAF COC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)OC 238761787 FEEYFHHPQRBHGK-PXNMIUTMSA-N 274.316 2.670 0 1 CFAF COc1cc(C)cc(Oc2cc(O)cc(OC)c2O)c1O 95588272 ZKZCWGWIXYCVNO-UHFFFAOYSA-N 292.287 2.921 0 1 CFAF CN(C)C1N2Cc3ccccc3N1Cc1ccccc12 299822659 AWXCAVLMOYWZTL-UHFFFAOYSA-N 265.360 2.872 0 1 CFAF O=C(NC12CC3C[C@@H](C1)O[C@@H](C3)C2)C1CCCCC1 473099695 HDXYAJXEBHUFHE-JNHKXMDRSA-N 263.381 2.783 0 1 CFAF COc1cccc(CCc2nc3cc(F)cnc3[nH]2)c1 587932376 WZGWQKNUXHWGDR-UHFFFAOYSA-N 271.295 2.891 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1oc(C)nc1C)[C@@H](C2)C3=O 587435657 HYWKIEDYJVOGEF-MEDUHNTESA-N 285.299 2.789 0 1 CFAF Nc1ncccc1Cc1nc2ccc(Cl)cc2[nH]1 587253260 DZMAFKYSURKISU-UHFFFAOYSA-N 258.712 2.784 0 1 CFAF N[C@@]1(c2nc3cccc(O)c3[nH]2)C[C@H]1c1ccccc1F 587156679 PBARAHKLLUZGKT-QFYYESIMSA-N 283.306 2.749 0 1 CFAF COc1cc2c3c(c1)OC1(C[C@@H]4CC[C@H](C1)O4)[C@@H](C2)C3=O 587454733 WNDVYERNERMKJM-UAZHICGTSA-N 286.327 2.523 0 1 CFAF C[C@@H]1CNCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527724 WDVDRXZIATZADT-KZULUSFZSA-N 285.387 2.899 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C=O)ccc1O)O2 587403870 MALBQTKAWKKCKM-MRXNPFEDSA-N 297.310 2.802 0 1 CFAF COc1ccc(-c2nc3ccnc(OC)c3[nH]2)c(Cl)n1 587084254 VQUBVTDREPNIIW-UHFFFAOYSA-N 290.710 2.691 0 1 CFAF N=c1ccc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)c[nH]1 587253340 IGISQNCABFBAHP-UHFFFAOYSA-N 294.145 2.663 0 1 CFAF CCOc1cc(-c2cccc(F)c2)nn1CCCCO 587871629 LMBRIUBVOUUXBJ-UHFFFAOYSA-N 278.327 2.860 0 1 CFAF Cc1cc(C)n(C(=O)c2coc(-c3ccc(F)cc3)n2)n1 1772633063 AIQSBYGDGNLYMU-UHFFFAOYSA-N 285.278 2.983 0 1 CFAF CCCc1nn(C)c2c1NC1(CCCCCC1)NC2=O 1772650615 ZEWAJAYBLYHNST-UHFFFAOYSA-N 276.384 2.578 0 1 CFAF CC(C)CCSC(=S)NCCCC[S@](C)=O 1857771519 OXPZZHTXADJIQX-INIZCTEOSA-N 281.512 2.799 0 1 CFAF CS(=O)(=O)Nc1ccncc1Oc1ccc(Cl)cc1 13586672 KUEAEXWZVKGDAE-UHFFFAOYSA-N 298.751 2.899 0 1 CFAF COc1c(O)cc2c(c1OC)CCc1cc(O)cc(O)c1-2 14650672 MMXRNRQNOAKVBD-UHFFFAOYSA-N 288.299 2.586 0 1 CFAF biogenic,in-vitro CCN1C(=N)S[C@@H](Cc2c[nH]c3ccccc23)C1=O 169315700 DDPCZJIOGKPNMQ-LBPRGKRZSA-N 273.361 2.609 0 1 CFAF CC[C@@]12CC[C@H]3[C@H](C)CC[C@@H]4CC(=O)O[C@@H](O1)[C@@]34O2 169340297 QNOOEARUAZQAMK-GMMWVKMPSA-N 266.337 2.607 0 1 CFAF C[C@H]1CCc2sc3[nH]c(=S)n(C)c(=O)c3c2C1 1660820 LKHXBFOQKPAJRO-LURJTMIESA-N 266.391 2.782 0 1 CFAF O=C1c2ccccc2-n2c1nc1ccc(Cl)cc1c2=O 1655226 GGZWZZOEBSZAML-UHFFFAOYSA-N 282.686 2.584 0 1 CFAF CC(=O)[C@H](C)[C@@H](O)[C@H](C)c1ccc(C)c(C=CCO)c1 2356441886 HNLMCZDKGJJNMG-OGHNNQOOSA-N 276.376 2.690 0 1 CFAF CSCCc1nc(-c2cccc(NC(=N)N)c2)oc1C 103299389 LDACHIYNXYKRLR-UHFFFAOYSA-N 290.392 2.861 0 1 CFAF CC(C)C(=O)N1[C@@H]2CC[C@@H]1CC(O)(c1ccc(F)cc1)C2 100464042 WHNVESPNUXYRTO-HUUCEWRRSA-N 291.366 2.823 0 1 CFAF CC(=O)c1c(C)nn(-c2nc3ccccc3s2)c1O 103542274 LARASLPSJOVUCE-UHFFFAOYSA-N 273.317 2.699 0 1 CFAF C[C@@H]1Oc2cc(O)cc(O)c2N=C1c1ccc(O)cc1 34219920 LIEZHLXUCGSNOU-QMMMGPOBSA-N 271.272 2.705 0 1 CFAF COc1ccc(/C=C/[C@H]2CC=CC(=O)O2)c(OC)c1 84725758 WLBIAPYFENGDQE-WAFBPQNNSA-N 260.289 2.589 0 1 CFAF O=c1cc(-c2ccc(-c3nnn[nH]3)cc2)oc2ccccc12 44602347 CDSSKRNFCDQPBZ-UHFFFAOYSA-N 290.282 2.640 0 1 CFAF in-vitro CCCCC(=O)Nc1cc(C(=O)O)c(F)cc1NC(C)=O 42920052 QXGCIJALVTYRGX-UHFFFAOYSA-N 296.298 2.611 0 1 CFAF COc1ccccc1-c1cc(=O)[nH]c2cc3c(cc12)OCO3 96915484 WOZAMDLTLYDIOY-UHFFFAOYSA-N 295.294 2.932 0 1 CFAF COC(=O)/C(C)=C\[C@H](C)C[C@H](C)C[C@@](C)(O)C[C@H](C)O 238765626 IQQFJADQXWBZGX-MLDAXVEWSA-N 286.412 2.680 0 1 CFAF COc1cc2c3c(c1OC)-c1ccc(O)cc1C[C@@H]3NCC2 238772879 WQYRUUGIYJHJNM-AWEZNQCLSA-N 297.354 2.819 0 1 CFAF Fc1cc(-c2nc3cccnc3[nH]2)cc(N2CCCC2)n1 587177516 KZVQGAZLTKHNOJ-UHFFFAOYSA-N 283.310 2.759 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(Cc3ccccc31)O2 587409816 WUNHDLLYLIQVEE-KRWDZBQOSA-N 265.312 2.994 0 1 CFAF CN1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC1=O 587515924 XQAQAHFQNMHPNU-GOSISDBHSA-N 299.370 2.522 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1nccs1)[C@@H](C2)C3=O 587450707 HNKDPUBQIJKSSD-TVQRCGJNSA-N 273.313 2.640 0 1 CFAF C[C@@H](F)[C@@H](N)c1nc2cccc(OC(F)(F)F)c2[nH]1 587122024 BFAQKKDSMYYSDL-SVGQVSJJSA-N 277.221 2.819 0 1 CFAF CN(C)c1ccc(-c2nc3cc4[nH]ncc4cc3[nH]2)nc1 587195287 SVEKNUMGTHLXOF-UHFFFAOYSA-N 278.319 2.567 0 1 CFAF CCOCCOCc1nc2cc(C(F)(F)F)cnc2[nH]1 587778062 GNZLVEAOADNRSV-UHFFFAOYSA-N 289.257 2.530 0 1 CFAF NC(=O)N1CCc2sccc2[C@H]1C[C@@H]1CCCOC1 962701694 BYLYFBDZVSIQJQ-CMPLNLGQSA-N 280.393 2.543 0 1 CFAF COc1cccc2cc3c(nc12)[C@H](CC[C@@H]1CCO1)NCC3 963059769 UPCFJUKMGRHVPN-CABCVRRESA-N 298.386 2.999 0 1 CFAF O=C(NC1CC1)c1n[nH]c2cc(-c3ccc(O)cc3)ccc12 1772579714 CURFHKRBBYDPJC-UHFFFAOYSA-N 293.326 2.828 0 1 CFAF Cc1nn(-c2cccc(O)c2)c2[nH]c3ccccc3c(=O)c12 12405814 VEGLUZRENCEMLC-UHFFFAOYSA-N 291.310 2.881 0 1 CFAF COc1ccc(-c2cc(OC)c3c(c2)OCO3)cc1O 13377060 VONRCGMJFIHOPV-UHFFFAOYSA-N 274.272 2.805 0 1 CFAF CC(=O)Nc1n[nH]c2ncc(-c3ccccc3)cc12 13489636 OGLXQFQATMRTEA-UHFFFAOYSA-N 252.277 2.583 0 1 CFAF N=C(NCCCN1CCCC1)Nc1ccc(Cl)cc1 13809070 SSZRWJLVUUGOGZ-UHFFFAOYSA-N 280.803 2.762 0 1 CFAF O=C(O)[C@@H]1[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H]1C(=O)O 16928425 QVNDSQQNODQYJM-CAOSSQGBSA-N 296.322 2.969 0 1 CFAF O=C(OC[C@H]1CCCN2CCCC[C@@H]12)c1cccnc1 1650225 MSQYOYUITDERLP-CABCVRRESA-N 274.364 2.503 0 1 CFAF CC1=C[C@@H]2OC(=O)[C@H](C)[C@H]2CC[C@H](C)C(=O)CC1 2356311522 XGVLEFRYWCUHGZ-SFTQSGBHSA-N 250.338 2.890 0 1 CFAF Cc1ccc(O)c2[nH]c(Cc3ccc(O)cc3)nc12 26290049 GYOTZWPNPDWTMB-UHFFFAOYSA-N 254.289 2.873 0 1 CFAF Cc1ccc(OC[C@H](O)[C@H](C)NC(C)(C)C)cc1C 28226974 DGCQKEMTEFKFRH-ZFWWWQNUSA-N 265.397 2.820 0 1 CFAF COc1cc(C)cc(C)c1S(=O)(=O)c1ccc(N)cc1 26483167 KRKSLKBYRAGNTG-UHFFFAOYSA-N 291.372 2.727 0 1 CFAF COc1c2c3c(c4c1OCO4)-c1ccccc1C[C@H]3NCC2 29041592 TYZKUSBTFHNPMV-CYBMUJFWSA-N 295.338 2.834 0 1 CFAF biogenic,in-vivo O=Cc1cc(C=Cc2cc(O)cc(O)c2C=O)ccc1O 2356734698 KSVVDMJECFEDLH-UHFFFAOYSA-N 284.267 2.599 0 1 CFAF COc1ccccc1NC1=NC(=O)[C@H](C(C)C)S1 28826731 CXIBKYNNOLIPLG-NSHDSACASA-N 264.350 2.761 0 1 CFAF CO[C@@H]1OCC2=C3CC(C)(C)[C@H](O)[C@@H]3[C@H](C)CC[C@@H]21 2356813273 CFFMFQWHVUGANZ-QFWNWRTJSA-N 266.381 2.739 0 1 CFAF Cc1ccc2cc(NC(=O)[C@]3(C)CCN(C)C3)ccc2n1 61902226 PTDQCOQTJPZNHL-QGZVFWFLSA-N 283.375 2.824 0 3 CFAF CCOC(=O)c1nc(O)c2cc(C(C)C)sc2n1 39240745 WSBSNMSWIFSZCH-UHFFFAOYSA-N 266.322 2.697 0 1 CFAF C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@@H](O)[C@@H]2O 33980397 PROQIPRRNZUXQM-ZCVDQKGDSA-N 288.387 2.580 0 1 CFAF NCCOC(=O)c1csc(-c2ccc(Cl)cc2)n1 82086310 SKFBSTAADSKDKO-UHFFFAOYSA-N 282.752 2.579 0 1 CFAF CC(C)C1=C2[C@H](O)[C@](C)(O)CC[C@H]2[C@@](C)(N=S)CC1 84597165 ZCUIYTSIBRUOPC-UQOMUDLDSA-N 283.437 2.744 0 1 CFAF O=c1c(-c2ccc(O)cc2)coc2cc3c(c(O)c12)OCC3 238786867 QADJIZHFYNXOLP-UHFFFAOYSA-N 296.278 2.806 0 1 CFAF Clc1c[nH]nc1-c1nc(-c2ccc3c(c2)OCO3)no1 473152718 VSMJCJFAIHOXJD-UHFFFAOYSA-N 290.666 2.509 0 1 CFAF COC(=O)c1ccc2[nH]c(-c3cc4c(s3)CCC4)nc2n1 587036604 HCXAQRGRMQGZGG-UHFFFAOYSA-N 299.355 2.962 0 1 CFAF NC(=O)Nc1cccc(-c2nc3ccc(F)c(F)c3[nH]2)c1 587242018 LNCUCYVKESDASL-UHFFFAOYSA-N 288.257 2.999 0 1 CFAF C[C@H](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)N(C)C 587189476 CMOBOPIBVPLFJJ-MRVPVSSYSA-N 287.285 2.954 0 1 CFAF CN(C)c1ncccc1-c1nc2nc(Cl)ccc2[nH]1 587195472 IAEGGJRMFXVIQS-UHFFFAOYSA-N 273.727 2.739 0 1 CFAF COc1cc2[nH]c(-c3ccc(N(C)C)cn3)nc2cc1F 587194416 FTBFPEDBPWMUNI-UHFFFAOYSA-N 286.310 2.839 0 1 CFAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cccnc3[nH]1)C2 586885605 NANOZPAVCDDOFC-DCAQKATOSA-N 253.305 2.597 0 1 CFAF CN(C)[S@](C)(=O)=Nc1ccc(C(F)(F)F)cc1 1772641873 DJDQVWHUIUGEGT-QGZVFWFLSA-N 266.288 2.911 0 1 CFAF CC(=O)Nc1ncc(SCc2ccncc2)s1 13490961 LGYDSXCVDFBIET-UHFFFAOYSA-N 265.363 2.789 0 1 CFAF Cc1c(OCC(=O)O)cc2c(c1C)C(=O)[C@H](C(C)C)C2 169343367 QUDUOTMBPBERLA-LBPRGKRZSA-N 276.332 2.778 0 1 CFAF C[C@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)OCC4=C3C=C[C@@]21C 169366580 NZWFKVWCAKLIHV-IKICRFKJSA-N 286.371 2.913 0 1 CFAF CN(C)C[C@@H](O)[C@@H](c1ccccc1)c1ccc(F)cc1 39245440 BOOFCMWAWAGGRA-SJORKVTESA-N 273.351 2.880 0 1 CFAF CC[C@@H](C)NC(=O)NCc1noc2ccc(C)cc12 6865917 PLJAGJZLERFYEK-SNVBAGLBSA-N 261.325 2.734 0 1 CFAF c1coc(CNc2ncnc3c2nc2n3CCCCC2)c1 6932599 GITLYEKLLJXWHV-UHFFFAOYSA-N 283.335 2.758 0 1 CFAF CC(C)(C)NC1=NCCNC(c2ccc(F)cc2F)=C1 101074651 ITNZIQZSAYHIMY-UHFFFAOYSA-N 279.334 2.696 0 1 CFAF O=C(c1cccc(Cl)c1)c1ccc2n1CC[C@H]2C(=O)O 25997022 QBMAHFSKIZFSGO-LLVKDONJSA-N 289.718 2.944 0 1 CFAF Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)c1 101118623 ANWBTHZJZAMBJU-UXOAXIEHSA-N 267.328 2.615 0 1 CFAF OC1=NC(=S)S/C1=C\c1ccc2nonc2c1 84671412 WCWLATGESMBOJN-YWEYNIOJSA-N 263.303 2.552 0 1 CFAF Nc1ccc(-c2ccc(C3CCC3)c(O)c2F)nn1 224561088 ZCQQOZXDYUSQFN-UHFFFAOYSA-N 259.284 2.838 0 1 CFAF COc1cc(/C=C/CO)cc(OC)c1OC(=O)CC(C)C 238788413 HECMRIDJJHPGEL-AATRIKPKSA-N 294.347 2.661 0 1 CFAF C/C=C(/C(=O)OCC)[C@@H](O)c1ccccc1Cl 299839546 SLJQEDCPKMZFCM-AHAUYKDXSA-N 254.713 2.883 0 1 CFAF Cc1ccc(-c2nc3nc(O)nc(O)c3cc2C)cc1 587561652 UCKNDRSDZZDZMP-UHFFFAOYSA-N 267.288 2.720 0 1 CFAF CCCc1c(O)ccc2c1O[C@]1(CCN[C@H](C)C1)CC2=O 587484778 NPMWQBDPKFHDGA-DIFFPNOSSA-N 289.375 2.821 0 1 CFAF CCn1nccc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587391170 LGXPTWUEXVYVOC-MRXNPFEDSA-N 285.347 2.674 0 1 CFAF OC1(c2nc3cc4ccccc4cc3[nH]2)CCOCC1 586914217 XDLOGSWCICNUPK-UHFFFAOYSA-N 268.316 2.714 0 1 CFAF N=c1cc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2c[nH]1 587951015 IGOQZXKQRZWTFM-UHFFFAOYSA-N 280.331 2.969 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)-c1cc(F)ccc1CCC3 587368924 BMVLULRBFQOJAL-UHFFFAOYSA-N 297.289 2.731 0 1 CFAF N=c1[nH]ccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc12 587950843 GHDVLLNQRHXFEI-UHFFFAOYSA-N 280.331 2.969 0 1 CFAF COc1ccc(O)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587401874 ZLRZJUGXDUZUDG-INIZCTEOSA-N 299.326 2.998 0 1 CFAF O=C1CCC[C@@H](c2nc3nc(Cl)c[nH]c-3n2)CC1 586883640 FASBAODWQYIPSL-SSDOTTSWSA-N 264.716 2.575 0 1 CFAF CS(=O)(=O)/C=C\c1nc2cc3ccccc3cc2[nH]1 586925844 JQMOPTCOPGBVLG-SREVYHEPSA-N 272.329 2.731 0 1 CFAF COc1ccc(OC(=O)Oc2ccc(CN)cc2)cc1 220475762 VGPOILHBJZVOAQ-UHFFFAOYSA-N 273.288 2.732 0 1 CFAF CCOC(=O)N1CCC(=CC#Cc2cccc(C)n2)CC1 141226873 SKIWDLQLZWSHPQ-UHFFFAOYSA-N 284.359 2.920 0 1 CFAF O=C1C[C@H](c2ccc3c(c2)OCO3)c2cc(O)ccc2O1 13814640 ZRFBKIHTJKSSEK-LLVKDONJSA-N 284.267 2.562 0 1 CFAF CC/C(=C\c1ccc(OCC(=O)O)c(Cl)c1)[N+](=O)[O-] 169340541 AMLJTWHGEVKMDZ-WEVVVXLNSA-N 285.683 2.831 0 1 CFAF COc1cnc2c3c(nccc13)-c1ccccc1C2=O 8117 PMNDIQAJNAFXTJ-UHFFFAOYSA-N 262.268 2.850 0 1 CFAF biogenic O=C1NCCc2c(-c3ccccc3O)[nH]c3cccc1c23 13491945 YZBWCLUYSPOXFH-UHFFFAOYSA-N 278.311 2.826 0 1 CFAF O=c1[nH]c2cc(F)ccc2n1-c1nc2ccc(F)cc2o1 21903 KBVJZOBCOIANOX-UHFFFAOYSA-N 287.225 2.738 0 1 CFAF CC(=O)Oc1ccccc1-c1nnc(-c2ccncc2)o1 58512716 XIAXXDDLXSJIHL-UHFFFAOYSA-N 281.271 2.724 0 1 CFAF Oc1ccccc1C(=S)NCc1ccc(F)cc1 58487630 OCPRFZOIFPHKSA-UHFFFAOYSA-N 261.321 2.997 0 1 CFAF O[C@H](CCN1CCc2ccccc2C1)COc1ccccc1 29482108 GVMAUBYWZFWPQQ-GOSISDBHSA-N 297.398 2.875 0 1 CFAF CNC(=O)N(C)[C@@H]1c2ccccc2Oc2ccncc21 28017986 BPNJFIPRXWDNIO-CQSZACIVSA-N 269.304 2.548 0 1 CFAF C[C@H](Nc1cccc(C(=O)c2ccccc2)c1)C(=O)O 53064436 VSLOHNFBBSHFKP-NSHDSACASA-N 269.300 2.803 0 1 CFAF CCCC[C@H](O)C[C@@H]1CCC[C@H](C[C@@H](O)CC)N1 2356395561 RXJHXBORQMLXBV-QPSCCSFWSA-N 257.418 2.599 0 1 CFAF COC(=O)c1[nH]c2cc(F)ccc2c1[C@H]1CNCC[C@H]1F 29348298 CJPSOUOLAPMNQT-WDEREUQCSA-N 294.301 2.509 0 1 CFAF CCC(=O)N1CC[C@@]1(C)C(=O)Nc1ccc(C)c(C)c1 61907800 NJYXJLNOBSVHIO-INIZCTEOSA-N 274.364 2.643 0 3 CFAF C[C@H]1CN=C(N(C)C)N1CCCCc1ccccc1 36386719 WEMLTTQFQGMDFL-AWEZNQCLSA-N 259.397 2.631 0 3 CFAF COC1=CCC2=C(CCN[C@@H]2Cc2cccc(O)c2)C1 32203945 FQAUPMMXILHXTE-QGZVFWFLSA-N 271.360 2.917 0 1 CFAF C1=C[C@H]2C[C@@H]3N(CC[C@]34CNc3ccccc34)C[C@@H]2CO1 38792167 SSEMHSZOXZYLBH-IHETXDGRSA-N 282.387 2.604 0 1 CFAF in-vitro CN1C=CN(COC2CCCCCC2)/C1=C\N=O 136886059 SEXRBMQJOVLAOR-RAXLEYEMSA-N 251.330 2.967 0 1 CFAF CCC[C@H]1c2cc(O)c(OC)cc2CCN1C(C)=O 40894956 JBLCPUVUDIOMPM-ZDUSSCGKSA-N 263.337 2.647 0 1 CFAF Cc1c(C(=O)CC(C)C)oc2c1CC[C@](C)(O)[C@@H]2O 238774870 GYHLSYICWPZCBR-CABCVRRESA-N 266.337 2.547 0 1 CFAF COC(=O)CCCCc1oc(CCC(=O)OC)c(C)c1C 238761204 DROOUHNYXACVFU-UHFFFAOYSA-N 296.363 2.888 0 1 CFAF CC(=O)N1CCCc2nc(COc3ccccc3)oc21 473152667 UZGXLHRQVSILLA-UHFFFAOYSA-N 272.304 2.553 0 1 CFAF COc1cccc(CC(=O)n2sc3ccccc3c2=O)c1 299827941 PBRJUWKZXWXZNB-UHFFFAOYSA-N 299.351 2.955 0 1 CFAF C[C@H](CCc1nc2ccc(Cl)nc2[nH]1)CC(=O)O 587961556 URWZQVJROYVFAP-SSDOTTSWSA-N 267.716 2.655 0 1 CFAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(C1CC1)CC2=O 587478698 BLHWAULPMTXEKY-INIZCTEOSA-N 290.315 2.543 0 1 CFAF Cc1ccc(-c2ccc3c(O)nc(O)nc3n2)c(F)c1 587367941 CAEYMMLZYWHLKB-UHFFFAOYSA-N 271.251 2.551 0 1 CFAF Cc1ccnc2[nH]c([C@H](C)n3cc(Cl)cn3)nc12 587082798 WUJJDQGBAFYLEW-QMMMGPOBSA-N 261.716 2.726 0 1 CFAF COc1nccc2nc(Cc3c(F)cncc3Cl)[nH]c12 587175836 IKDULRUTISLRTO-UHFFFAOYSA-N 292.701 2.745 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)([C@]1(C)CCCO1)[C@@H](C2)C3=O 587455933 RBEJPLKBMREUCW-AFAVFJNCSA-N 288.343 2.770 0 1 CFAF Cc1cnc2[nH]c(-c3cccc(NC(N)=O)c3C)nc2c1 587238516 BOXXBDWUTHEAEN-UHFFFAOYSA-N 281.319 2.732 0 1 CFAF Oc1ccc2c(c1)[C@H](c1cn(-c3ccccc3)cn1)NCC2 963354652 XSHSPTIWGKBJLW-GOSISDBHSA-N 291.354 2.813 0 1 CFAF Cc1sc2c(c1C)CCN[C@@]21CCCc2ncncc21 963019636 HZMGSDDLWIASTH-MRXNPFEDSA-N 285.416 2.881 0 1 CFAF COC(=O)CC=C1c2ccc(OC)cc2[C@H](OC)[C@H]1C 1857623457 LEYPXOBPYVCVHC-MGPLVRAMSA-N 276.332 2.979 0 1 CFAF CO[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC 5963866 DDIJCQQECYDBJB-HUUCEWRRSA-N 290.315 2.667 0 1 CFAF CCCCCNC1=NCCN1OCc1ccc(C)cc1 13539095 NANIAMUABWKWDQ-UHFFFAOYSA-N 275.396 2.878 0 1 CFAF COc1cc(-c2ccc3c(c2)CCO3)cc(C=O)c1O 169699572 QPACVKDAIWVNGH-UHFFFAOYSA-N 270.284 2.815 0 1 CFAF CCCc1cc(C(C)=O)c(O)cc1OCCCCN 13650580 WVISNBCQSDUSKA-UHFFFAOYSA-N 265.353 2.665 0 1 CFAF CC(C)c1cc(SCC(=O)O)nc(-c2ccccn2)n1 101352687 NAVGHSZFAVZQDP-UHFFFAOYSA-N 289.360 2.839 0 1 CFAF COc1ccc2c(c1)C(=O)[C@H](O)[C@H](/C=C/c1ccccc1)O2 100770634 ZUVYPUCXQZJIJC-QJWRSFSASA-N 296.322 2.713 0 1 CFAF Cc1nnc(S)c2nn(-c3ccccc3F)c(C)c12 8677788 JUHZXNZQUIPTPX-UHFFFAOYSA-N 274.324 2.860 0 3 CFAF Nc1ncc2cc(-c3ccccc3)c(N3CC=CC3)nc2n1 100036409 QFWNOFXQNCLFBC-UHFFFAOYSA-N 289.342 2.650 0 1 CFAF in-vivo Nc1c(CC(=O)O)cccc1C(=O)C1CCCCC1 26385674 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298.386 2.851 0 1 CFAF Cc1cccnc1C[S@@](=O)c1nc2cscc2[nH]1 13448559 KPJAGCXNZIJJSY-SFHVURJKSA-N 277.374 2.636 0 1 CFAF Cc1c(O)ccc2c1CCc1c(C)c(O)cc(CO)c1-2 13461625 XMOXXHLEPGXDBW-UHFFFAOYSA-N 270.328 2.973 0 1 CFAF C[C@@H](NC(=O)OCCCc1c[nH]cn1)c1ccccc1 13747097 VJLNCFYXBMIHAV-GFCCVEGCSA-N 273.336 2.830 0 1 CFAF O[C@]1(c2ccc(-c3nccs3)cc2)CN2CCC1CC2 13757114 QUTGJRIRGTXYKW-INIZCTEOSA-N 286.400 2.723 0 1 CFAF CC(=O)O[C@@H]1[C@H]2CC[C@H](N3CCCCC3)[C@H]1CC2 169312418 WAAWXHBKTWLHRM-APIJFGDWSA-N 251.370 2.593 0 1 CFAF COc1cc2cc(N[C@H](C)CCCN)cnc2cc1OC 169320037 ORVSZODLENZMBZ-LLVKDONJSA-N 289.379 2.791 0 1 CFAF CSc1nnc(-c2cnccn2)n1Cc1ccccc1 1332874 YTQMSHGZQQCTLV-UHFFFAOYSA-N 283.360 2.505 0 3 CFAF c1nc(N2CCC[C@H]3CCCC[C@@H]32)c2nc[nH]c2n1 6753082 VEHOAXRWERIIOY-MNOVXSKESA-N 257.341 2.512 0 1 CFAF COc1ccc2c(c1)C(=O)C(NNc1ccccc1C)=N2 103991203 QGHQNFIRQRVOJW-UHFFFAOYSA-N 281.315 2.847 0 3 CFAF Cc1ccc(N)c(C[S@](=O)c2nc3ccccc3[nH]2)c1 28230195 LXQZSOAYUXMJNY-HXUWFJFHSA-N 285.372 2.761 0 1 CFAF 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2.998 0 1 CFAF in-vivo O=C1OCC(N2CCCC2)=C1c1cccc(Cl)c1 66098571 UHNCNNMTNPAAJU-UHFFFAOYSA-N 263.724 2.704 0 1 CFAF CC(=O)CC[C@H](C=C[C@]1(C)C[C@@H](O)CO1)C(C)C 2356479889 HNZVGCPOGGNFAH-RBSFLKMASA-N 254.370 2.724 0 1 CFAF C[C@@H]1CCC[C@H](O)CCCc2cc(O)cc(O)c2C(=O)O1 2356623904 NXDFAIFYSGMTLP-PWSUYJOCSA-N 294.347 2.511 0 1 CFAF C[C@H](C(=O)O)[C@H]1CC[C@@H](C)[C@H]2CCC(CO)=C[C@@H]12 2356632329 JTUOWRWJSXCKMC-BJKGOZRQSA-N 252.354 2.698 0 1 CFAF CC(=CCC[C@H](C)CO)c1ccc(C(=O)O)cc1O 2356797536 OBFGWJDPNCOFSV-JTQLQIEISA-N 264.321 2.902 0 1 CFAF CCCCCCc1cc2c(=O)[nH]c(C(=O)O)nc2s1 39240752 IOJSOHHVNPYBOF-UHFFFAOYSA-N 280.349 2.806 0 1 CFAF Cc1ccc2c3c(c(O)c(C(C)(C)O)cc13)OC2=O 1579296 NRYQRYXWSGRVBE-UHFFFAOYSA-N 258.273 2.614 0 1 CFAF biogenic CN(Cc1ccccc1)C(=O)C1=CC(C)(C)NC1(C)C 33611329 VBRTYSSQBYPBBM-UHFFFAOYSA-N 272.392 2.732 0 1 CFAF C[C@@H](Nc1ccc(C2=NNC(=O)CC2)cc1)c1ccncc1 40466960 DSWLPASKKGPJKB-GFCCVEGCSA-N 294.358 2.869 0 1 CFAF Oc1ccccc1C[C@H](c1ccccc1)N1CCNCC1 49111665 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586884086 KAPSDSIYUBIATM-UHFFFAOYSA-N 270.380 2.582 0 1 CFAF Cc1cc2[nH]c([C@@H](N)c3ccsc3)nc2c(C)n1 587024951 CYIAUIZIYBVZOG-NSHDSACASA-N 258.350 2.684 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)C[C@H](c1ccccc1)CC3 587561174 DUXJDDRZEOKIEF-LLVKDONJSA-N 293.326 2.709 0 1 CFAF COc1ccc(O)n1-c1cccc(C2=NC(C)(C)CO2)c1 587934084 AUCAGSLSCXLAFQ-UHFFFAOYSA-N 286.331 2.747 0 1 CFAF N=c1cc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2c[nH]1 587175068 PJRPRCMVEGBZFD-UHFFFAOYSA-N 281.294 2.582 0 1 CFAF Oc1cc([C@H]2NCCc3cc(Cl)ccc32)c(F)cn1 963390400 IZSXRRKBKXJYDL-AWEZNQCLSA-N 278.714 2.815 0 1 CFAF CCCC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 1857655048 JDUHWWLOCQLXHQ-CQSZACIVSA-N 281.306 2.634 0 1 CFAF O=[S@](Cc1ncccc1Cl)c1nc2cscc2[nH]1 13448624 MPPYJIOIACXFSV-SFHVURJKSA-N 297.792 2.981 0 1 CFAF CC(=O)c1ccc(OCCCc2c[nH]cn2)c(C)c1 13814608 GGGHHELUDRDUHD-UHFFFAOYSA-N 258.321 2.932 0 1 CFAF Nc1nccn1C[C@@H](O)c1cccc(Cl)c1Cl 169351080 GJJKFZWOGWBJDN-SECBINFHSA-N 272.135 2.506 0 1 CFAF CCC(=O)NCCc1c(OC)ccc2cc(OC)ccc12 13761217 ASOUBCXJTJZCRL-UHFFFAOYSA-N 287.359 2.926 0 1 CFAF CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2c1ccc(Cl)nc1 16953 PNXFGWLSNKMJSP-UTUOFQBUSA-N 250.729 2.602 0 1 CFAF COc1ccc([C@H](O)[C@@H]2c3ccc(OC)cc3CN2C)cc1 2356402091 YFIREVBFRVUNCE-ROUUACIJSA-N 299.370 2.924 0 1 CFAF O=C(N1CCc2ccccc21)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 101667734 ZYYJHMAXCTYOMG-CXTCDGGRSA-N 297.398 2.907 0 1 CFAF c1ccc(N2c3ccccc3C[C@H]2C2=NCCN2)cc1 28016694 KJJIMWHJDMEMPM-INIZCTEOSA-N 263.344 2.751 0 1 CFAF O=C1N=C2C(=Nc3ccccc32)N1c1ccc(O)cc1 27078418 HTEBNZVRKLJTAL-UHFFFAOYSA-N 263.256 2.865 0 1 CFAF Cc1ccc([S@](N)(=O)=NC(=O)Nc2ccccc2)cc1 25980046 UYVLSCZFHCXCIY-HXUWFJFHSA-N 289.360 2.928 0 1 CFAF CCCC[n+]1cccc2c1CC[C@H]1[C@H](O)CCC[C@@H]21 26285265 AMVOCAFZNUMROI-YSVLISHTSA-N 260.401 2.965 0 1 CFAF NC1=N[C@@H](c2ccc(F)cc2)Cc2cc(F)ccc21 25976308 PZUJYUAPVWDTTH-CQSZACIVSA-N 258.271 2.968 0 1 CFAF Cc1c2c(c(C)n1CC1CC1)[C@](C)(C(N)=O)CC2(C)C 39215405 NETVNSSISGOCFR-QGZVFWFLSA-N 274.408 2.939 0 1 CFAF O=C(/C=C/c1ccc(O)cc1)OCCc1ccc(O)cc1 35298383 ZCFLGZLKECDZFW-BJMVGYQFSA-N 284.311 2.897 0 1 CFAF OCCSc1nc2c(Cl)cc(Cl)cc2[nH]1 34520287 FMYJSWSTFZYBPH-UHFFFAOYSA-N 263.149 2.954 0 1 CFAF CC1=C[C@H](c2ccccc2)N=C(n2cc(C)c(C)n2)N1 45283804 QMTQSPMSNQHEHM-OAHLLOKOSA-N 266.348 2.952 0 1 CFAF O=c1c2cnc3ccccc3c2[nH]n1-c1cccs1 137880019 KWEAVNDMFHXACO-UHFFFAOYSA-N 267.313 2.929 0 1 CFAF CCC[C@H]1OC(=O)[C@@H](Sc2ccccc2)[C@@H]1CCO 40424379 DRBXULBAIXTMCP-MCIONIFRSA-N 280.389 2.871 0 1 CFAF COc1ccc(OCc2cccn3ccnc23)c(C=O)c1 146116652 AJERFTOKIJSSNV-UHFFFAOYSA-N 282.299 2.734 0 1 CFAF O=C1C(=O)N(Sc2ccccc2)c2ccccc21 95597136 AOSJSCNKHOWBAE-UHFFFAOYSA-N 255.298 2.923 0 1 CFAF Cn1cc(-c2cnc3ccnc(NCC4CC4)c3c2)cn1 473106881 YQTVRRWUGJLJIX-UHFFFAOYSA-N 279.347 2.852 0 1 CFAF Clc1ccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)cc1 587069407 JZZCKHFNRDUQFX-UHFFFAOYSA-N 296.721 2.859 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1nc(C)cs1)[C@@H](C2)C3=O 587449023 CZQKBNNEVIGMSL-HZMBPMFUSA-N 287.340 2.949 0 1 CFAF CCC1([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)COC1 587411373 IPXFCWIICXZDHD-HNNXBMFYSA-N 275.348 2.728 0 1 CFAF O=c1ccc2cc(-c3nc4nc(Cl)ncc4[nH]3)ccc2o1 586916664 QPMFUCFLDKAEQJ-UHFFFAOYSA-N 298.689 2.780 0 1 CFAF N=c1[nH]ccc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c12 587161419 NRCRJIGVRBCSBO-QWRGUYRKSA-N 268.295 2.781 0 1 CFAF Cc1c(F)ccc2nc(-c3nnn(C)c3C(F)F)[nH]c12 587129182 SSOBTOMTXSZNMC-UHFFFAOYSA-N 281.241 2.744 0 1 CFAF Cc1nn(C)cc1[C@@]1(C)NCCc2c1sc(C)c2C 963013868 SFIQNLOOHXWMHW-OAHLLOKOSA-N 275.421 2.816 0 1 CFAF Cc1cc2c(cc1F)C1(CC3(CC(C(=O)O)C3)C1)NCC2 962146278 NQZZLVNEJDNEJP-UHFFFAOYSA-N 289.350 2.750 0 1 CFAF O=C(c1coc(-c2ccc(Cl)cc2)n1)n1cccn1 1772583406 LESKGVYPXMDPHA-UHFFFAOYSA-N 273.679 2.880 0 1 CFAF CC(C)CC(=O)C[C@]1(C)CC[C@@H]([C@@H](C)CCO)O1 14556682 NQUGBBCWSQRMST-QEJZJMRPSA-N 256.386 2.948 0 1 CFAF endogenous,in-man COc1cc2c(c(OC)c1[C@@H](C)O)C=CC(C)(C)O2 13327671 MCAXVBIFXBGDNX-SECBINFHSA-N 264.321 2.941 0 1 CFAF biogenic,in-vitro CC(C)CNc1cc(NC(=O)c2ccccc2)ncn1 169303836 ZSAARVYYVJUEEM-UHFFFAOYSA-N 270.336 2.797 0 1 CFAF CCOC(=O)c1c2n(c3cc(Cl)ccc3c1=O)CCC2 201712 GCHFPRMNAMXXRQ-UHFFFAOYSA-N 291.734 2.778 0 1 CFAF CO[C@@H]1C(=O)N(SC)[C@@H]1c1ccccc1Cl 1663368 DOFBRCXRLYRBHR-ZJUUUORDSA-N 257.742 2.516 0 1 CFAF O=C1/C(=C2\C(=O)c3ccccc3[N+]2=O)N(O)c2ccccc21 6576029 JDXQAJMADFDZGH-YPKPFQOOSA-N 293.258 2.597 0 1 CFAF COc1ccc(C(=O)c2c(C)cc3n2CC[C@@H]3C(=O)O)cc1 27894992 INHATMCOMRCALJ-ZDUSSCGKSA-N 299.326 2.608 0 1 CFAF Cc1[nH]n(C2CCCCC2)c2nc(-c3cncn3C)nc1-2 103598129 WAYPIWSISRQHMF-UHFFFAOYSA-N 284.367 2.925 0 1 CFAF CN1CC=C(c2c[nH]c3ccc([C@@H]4COCCO4)cc23)CC1 28763939 OTHCNVXZGXFCNW-SFHVURJKSA-N 298.386 2.975 0 1 CFAF CC(=O)O[C@H]1[C@@H]2CCC[C@@H]1[C@H](N1CCCCC1)CC2 100741109 KSJDJOYKEJTGAN-FPCVCCKLSA-N 265.397 2.983 0 1 CFAF CCc1nc(CC)n2nc(-c3ccc(OC)cc3)cc2n1 26503626 TZNZGTKNAFMMOY-UHFFFAOYSA-N 282.347 2.925 0 1 CFAF Clc1ccc(-n2nncc2-c2cccnc2)cc1 26157978 VWVOOTWFRFMDJT-UHFFFAOYSA-N 256.696 2.983 0 1 CFAF Cc1cc(O)c2c(=O)c(C3=CC=C[CH]N3C)coc2c1 2356825147 PBIWZBQHDUDZNG-UHFFFAOYSA-N 268.292 2.811 0 1 CFAF CCO[C@H]1OC[C@]2(C)c3c(ccc(C)c31)C(C)(C)[C@H]2O 40935660 WVMUFKGZUAMWJW-ZMSDIMECSA-N 276.376 2.970 0 1 CFAF CCn1c2noc(=O)c-2c(O)c2cc(F)c(Cl)cc21 40394908 GOKWYLQQNCJARE-UHFFFAOYSA-N 282.658 2.612 0 1 CFAF Fc1cc2c(cc1-c1cccnc1)CCc1nncn1-2 141841692 LHINEESNXCGXGR-UHFFFAOYSA-N 266.279 2.567 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(=N)[nH]c1)CC2=O 587472729 LVKFYQSFYKYBKO-OAHLLOKOSA-N 298.342 2.859 0 1 CFAF CC[C@H]1C[C@H](C)Cc2cc3c(O)nc(O)nc3nc21 587561252 GKMOIGXANIXENP-YUMQZZPRSA-N 259.309 2.512 0 1 CFAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(Cl)ncc2[nH]1 587963334 MZUBLALLEMHMAH-JGVFFNPUSA-N 263.728 2.769 0 1 CFAF FC(F)(F)Oc1ccc2nc([C@@H]3CCOC3)[nH]c2c1 586911351 HLNIJGLQULQYDW-SSDOTTSWSA-N 272.226 2.965 0 1 CFAF COc1cc2c3c(c1)O[C@]1(C[C@H]4CC(=O)C[C@H]4C1)[C@@H](C2)C3=O 587447397 RJDADFCLZWXOLA-UCZOEHHZSA-N 298.338 2.571 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1cccnc1)O2 587394602 IPATYNPPZAABSK-QGZVFWFLSA-N 282.343 2.939 0 1 CFAF Cc1c(F)ccc2nc(-c3cc(N)c(N)cc3F)[nH]c12 587137422 ZNYDARUBEMDXBS-UHFFFAOYSA-N 274.274 2.981 0 1 CFAF CC(C)(CO)[C@@H](O)c1nc2cc(Cl)cc(Cl)c2[nH]1 586901532 RLHDSSQPBYKXCA-JTQLQIEISA-N 289.162 2.922 0 1 CFAF Clc1cccc2c1C1(CC(n3cccn3)C1)NCC2 963389598 CFADXVDJQCIIAQ-UHFFFAOYSA-N 273.767 2.913 0 1 CFAF CCOC(=O)c1c[nH]c(/C=C2\C(=O)Nc3ccccc32)c1C 13780165 FRFBYLIZAQERFO-WQLSENKSSA-N 296.326 2.993 0 1 CFAF CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)nccc21 13821002 DAWSASDELFSMFB-NEPJUHHUSA-N 276.384 2.906 0 1 CFAF COCCc1ncc(OC)c2c1[nH]c1c(OC)cccc12 14655501 VXIBHGSYBDCYKB-UHFFFAOYSA-N 286.331 2.922 0 1 CFAF Oc1ccc([C@H]2CCc3c(O)cc(O)cc3O2)cc1 14806135 MDDPZOZWEZNMTK-CQSZACIVSA-N 258.273 2.870 0 1 CFAF COc1ccc2c(c1)[C@]13C[C@@H](OC)C=CC1=CCN3CC2 14929119 IHGAFCLLUGHOCJ-WMZOPIPTSA-N 283.371 2.664 0 1 CFAF O=Cc1c(O)cc(O)c2c1O[C@H](c1ccccc1)CC2=O 15217420 UDAHPMHAXHYMTM-AWEZNQCLSA-N 284.267 2.617 0 1 CFAF Cc1nn(C)c2nc3ccccc3c(NCCCC(=O)O)c12 169340355 XTDGEGQAMGOVBF-UHFFFAOYSA-N 298.346 2.707 0 1 CFAF CCN(CC)c1nc(-c2ccncc2)nc2cnccc12 1857586722 PGOCRNZIASOKRK-UHFFFAOYSA-N 279.347 2.933 0 1 CFAF CC[C@@](CCN(C(C)C)C(C)C)(C(N)=O)c1ccccn1 27521969 YQUJDTFGZWYRHS-KRWDZBQOSA-N 291.439 2.724 0 1 CFAF Clc1ccc(-n2ncnc2-c2ccccn2)cc1 229219 SMUUMRYPVJGDBG-UHFFFAOYSA-N 256.696 2.983 0 1 CFAF CC1=C(C(=O)Nc2ccncc2)C2(CCCCC2)OC1=O 6746393 AWNUEWCURVJWFW-UHFFFAOYSA-N 286.331 2.596 0 1 CFAF Cc1ccc(O)c(Nc2c(Nc3ccccc3)c(=O)c2=O)c1 101113507 OZWMUKTYXLGPAX-UHFFFAOYSA-N 294.310 2.784 0 1 CFAF COc1ccc(Nc2nccc(-c3cc[n+](C)cc3)n2)cc1 26651592 KVRZJEJTNQHTFZ-UHFFFAOYSA-N 293.350 2.720 0 1 CFAF CCC(=O)N1[C@@H]2CC[C@@H]1CN(C/C=C/c1ccccc1)C2 100014815 RKNSPEOBXHFNTD-QOCAVEGASA-N 284.403 2.785 0 1 CFAF COc1ccc(Cl)c(NC(=O)[C@@](C)(O)C(F)(F)F)c1 26377458 NDGPOWPTGXJLKB-SNVBAGLBSA-N 297.660 2.600 0 1 CFAF Nc1nc2ccc(Cl)cc2c2nc(-c3ccoc3)nn12 25971660 MQNCTZYKXLETQP-UHFFFAOYSA-N 285.694 2.773 0 1 CFAF O=C(NCCCCCCO)NC12CC3CC(CC(C3)C1)C2 28712031 FUMIBHNYGFMWPI-UHFFFAOYSA-N 294.439 2.807 0 1 CFAF in-vivo O=C(O)C1=C(c2ccccc2)C=C[C@H]2CCCCN12 2356818841 DXBIYSXQHXOMOK-CYBMUJFWSA-N 255.317 2.907 0 1 CFAF C=C1OC(=O)[C@H](C(=O)CCCCCCCCC)C1=O 1888420 YRADUEJUACRQEZ-CYBMUJFWSA-N 266.337 2.952 0 1 CFAF biogenic CCCN1CNc2c(c(=O)[nH]c(=S)n2CCC(C)C)C1 36380759 LOIOOZOPOCKBEI-UHFFFAOYSA-N 296.440 2.547 0 1 CFAF CC1=C[C@@H]2[C@@H](C(C)(C)O)CC=C(C(=O)O)[C@@H]2CC1 49049415 GOAYTHWKOQUNGK-DRZSPHRISA-N 250.338 2.761 0 1 CFAF Nc1ccc(F)c(-c2ccc3ncnc(N)c3c2)c1 148975104 QJZVASMOYAVXOA-UHFFFAOYSA-N 254.268 2.600 0 1 CFAF CC(=O)O[C@H]1C[C@@H]2[C@@H]([C@H](C(C)C)CC[C@@]2(C)O)[C@H]1C(C)=O 238737583 YNNDVHBDEXCUNO-RHJCGQNESA-N 296.407 2.576 0 1 CFAF Cc1cc(C(=O)C(C)C)c2c(c1O)OC(=O)C[C@@H]2C 238747087 WAXFSCBPKDNRDM-QMMMGPOBSA-N 262.305 2.952 0 1 CFAF COC(=O)c1cccc(-c2cc3c(O)nccc3o2)c1 263620866 OVTGPKXYLOQTEQ-UHFFFAOYSA-N 269.256 2.987 0 1 CFAF in-vitro CC(C)=CCC/C(C)=C/c1nc2c(O)nc(=N)[nH]c2[nH]1 587967138 HNINAQCRAFYFMD-VQHVLOKHSA-N 273.340 2.621 0 1 CFAF Oc1nc(O)c2ccc(-c3ccc4ccccc4n3)nc2n1 587554212 GMPCKAXUGUALJY-UHFFFAOYSA-N 290.282 2.651 0 1 CFAF N=c1cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c[nH]1 586889289 MDOCZWHLGXZHGG-YVEFUNNKSA-N 276.343 2.742 0 1 CFAF FC(F)(F)[C@H]1C[C@@H]1c1nc2cc3c(cc2[nH]1)OCO3 587092321 DAAVYPAOGCTQPS-WDSKDSINSA-N 270.210 2.957 0 1 CFAF O=C(O)/C=C/C=C/c1nc2c(Cl)nc(Cl)cc2[nH]1 587968124 KYHLZQHAWGJUNT-ZPUQHVIOSA-N 284.102 2.919 0 1 CFAF Oc1cccc([C@@H](O)c2nc3ccc4ncccc4c3[nH]2)c1 586892008 QQKDTQNGJJPJBZ-MRXNPFEDSA-N 291.310 2.898 0 1 CFAF CCCC/C=C/c1nc2ccc(-n3cnnn3)cc2[nH]1 587966065 RNJJBYHGIASCEX-AATRIKPKSA-N 268.324 2.742 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCCN(C)C)O2 587387110 NEXNQGQDHYHOHH-INIZCTEOSA-N 276.380 2.643 0 1 CFAF Cc1cccc2nc(CS(=O)(=O)C3CCCC3)[nH]c12 586925407 ZDSDTBIEHOINMW-UHFFFAOYSA-N 278.377 2.729 0 1 CFAF C=C1NC(=O)c2cc(Cl)c(Br)cc2N1 957575750 CVEOLFVBEPBDLK-UHFFFAOYSA-N 273.517 2.729 0 1 CFAF c1ccc(CCc2[nH]nc3ccc(-c4nn[nH]n4)cc23)cc1 164785775 APVAKEVHXQUQCI-UHFFFAOYSA-N 290.330 2.528 0 1 CFAF O[C@@H](C[C@@H]1c2ccccc2-c2cncn21)c1cccnc1 203789653 JNVJGLYGJXLWMV-WBVHZDCISA-N 277.327 2.972 0 1 CFAF O=C1C(Cl)=CCCN1C(=O)[C@H]1C[C@H]1c1ccccc1 1772651137 UTOYUGQIPNRCGJ-RYUDHWBXSA-N 275.735 2.672 0 1 CFAF COc1ccccc1Sc1cccc2nc(N)nc(N)c12 5889821 QVUKASGTDFRHBU-UHFFFAOYSA-N 298.371 2.954 0 1 CFAF Oc1c2ccccc2nn1Cc1ccc(Cl)nc1 13820731 NUUGSVZRUOJGAL-UHFFFAOYSA-N 259.696 2.839 0 1 CFAF CCO[C@@]12CC[C@H]3C[C@@H]4CC[C@@](OCC)(O1)[C@@H]4[C@@H]32 17259547 SORQIKMJIKCAHH-VMCMIOBHSA-N 252.354 2.938 0 1 CFAF c1cc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)ccn1 168354874 DZUJRYCKJKNKKG-BZUAXINKSA-N 251.333 2.752 0 1 CFAF CC[C@H]1[C@H]2C[C@H]3C[C@@H](CC[C@@]3(C)N1C)[C@]2(C)NC(C)=O 1857655743 CGOIOMBXLARGSJ-IKIFYQGPSA-N 278.440 2.800 0 1 CFAF NC(=O)c1ccc(-c2ccc(-n3ccnc3)cc2)cc1 1239870486 IWLGLUAFCCBFSF-UHFFFAOYSA-N 263.300 2.638 0 1 CFAF CC1=CCS(=O)(=O)[C@H]1[C@H](O)C1=C(C)CCCC1(C)C 1652908 QFXAVRIMIVBVLD-ZIAGYGMSSA-N 284.421 2.617 0 1 CFAF CNC(=O)[C@H](OC)c1cccc(COc2ccccc2)c1 103183297 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2.566 0 1 CFAF COc1oc(C2=CCCN(C)C2)nc1Cc1ccccc1 29415948 DABJXZZHVCQCEY-UHFFFAOYSA-N 284.359 2.993 0 1 CFAF N=C(N)Nc1nnc(-c2ccc(Cl)c(Cl)c2)s1 27997958 MRBKXWDNZANBAS-UHFFFAOYSA-N 288.163 2.817 0 1 CFAF CC[C@H]1CCC2=C[C@H]3C(C(F)(F)F)=CC(=O)N[C@H]3C=C2N1 195032240 CBBKASYECJYSCB-KWBADKCTSA-N 298.308 2.576 0 1 CFAF C[C@@]12C[C@@H](O)C[C@@H]1[C@@H]1CC[C@H]3CC(=O)CC[C@@H]3[C@H]1[C@H](O)C2 255204715 CXNZCFVPMJZWJF-QALPSOFBSA-N 292.419 2.540 0 1 CFAF CC1(C)CCn2nc(COc3ccccc3)cc2[C@@H]1O 299837188 JMNBTPRXPPRKRR-HNNXBMFYSA-N 272.348 2.925 0 1 CFAF N=c1[nH]ccc2nc(/C=C\c3ccc(F)cc3F)[nH]c12 587152151 ZOSAPQBAPSEODN-RQOWECAXSA-N 272.258 2.819 0 1 CFAF Clc1ccc2nc(Cc3csc4nccn34)[nH]c2n1 587041472 ZSFKFMAERPYDMK-UHFFFAOYSA-N 289.751 2.911 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1nc(C)oc1C)[C@@H](C2)C3=O 587436862 VANHOUDMMBIMMT-MEDUHNTESA-N 285.299 2.789 0 1 CFAF NC(=O)c1ccc2nc(C3(F)CCCCC3)[nH]c2c1 587132194 MNILSVFVHIVRSO-UHFFFAOYSA-N 261.300 2.791 0 1 CFAF Cc1ccc(Cc2nc3nc(O)nc(O)c3cc2C)cc1 587560814 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Cc1cc2nc(-c3ccc(Cl)cc3)sc(=O)n2n1 103281109 SFPPPOIGLRVDMC-UHFFFAOYSA-N 277.736 2.780 0 1 CFAF c1c2c(cc3c1CC[C@@H]1[C@@H]3OCCN1CC1CC1)OCC2 27991395 SEMJDPGTUJSAEG-SJLPKXTDSA-N 285.387 2.720 0 1 CFAF CCCC=C[C@H]1CC(=O)c2c(CC(=O)O)cc(O)cc2O1 2356602470 ARPNPDSBSVFTDI-LBPRGKRZSA-N 290.315 2.709 0 1 CFAF COC(=O)/C(C)=C/[C@H](C)C[C@H](C)C[C@](C)(O)C[C@@H](C)O 73129322 IQQFJADQXWBZGX-ZMESLASWSA-N 286.412 2.680 0 1 CFAF Oc1ccc2c(c1)CCNCCc1ccccc1C2 40393797 UVIMYNCSQBPMNG-UHFFFAOYSA-N 253.345 2.671 0 1 CFAF Cc1ccc(C2=NN[C@]3(C2)C(=O)Nc2ccc(F)cc23)cc1 84633935 GSXNAWDOLGYTOC-KRWDZBQOSA-N 295.317 2.679 0 1 CFAF O=C1c2ccccc2-c2c3c(cc4c2[C@@H]1NC=C4)OCO3 238758247 UUXILKDYTNRSMT-HNNXBMFYSA-N 277.279 2.894 0 1 CFAF COc1cccc2[nH]c3c(-c4ccnc(N)n4)nccc3c12 238748684 VQDGAHFATHVVCS-UHFFFAOYSA-N 291.314 2.764 0 1 CFAF COc1ccc(-c2cccc3c2CC(=O)[C@H](N)CC3)cc1 473083218 NGWUMXOIXJFYMK-QGZVFWFLSA-N 281.355 2.747 0 1 CFAF COc1c(F)ccc(F)c1-c1nc2nc(Cl)c[nH]c-2n1 587132380 DGGMXZNEZTZNCL-UHFFFAOYSA-N 296.664 2.912 0 1 CFAF Cc1ccc(C)c(Cc2nc3ccnc(O)c3[nH]2)c1 587960238 ZQPPEQHVRZEMJN-UHFFFAOYSA-N 253.305 2.871 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1scnc1C)[C@@H](C2)C3=O 587454504 XTQOVMRJXILQGW-IINYFYTJSA-N 287.340 2.949 0 1 CFAF OCc1ccc2nc(CCc3ccccc3F)[nH]c2c1 587148323 BEAFXBWFZGQNFJ-UHFFFAOYSA-N 270.307 2.980 0 1 CFAF COc1ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2n1 586902716 MDMILZQZXVVAHW-AAEUAGOBSA-N 281.315 2.536 0 1 CFAF OCCOCn1c(Cl)nc2c(Cl)c(Cl)ccc21 5932936 NQWJYYUAUKZMRH-UHFFFAOYSA-N 295.553 2.963 0 1 CFAF CC(C)c1ccc(CNc2nc(O)c3c[nH]nc3n2)cc1 13518222 JDTNNJYCFSSUSO-UHFFFAOYSA-N 283.335 2.794 0 1 CFAF Fc1ccc2nc(-c3cncnc3)n(C3CC3)c2c1 1250668288 VYFSVAOAAMFMJF-UHFFFAOYSA-N 254.268 2.967 0 1 CFAF CCN1CC[C@@H](C)c2cc(Cc3cnc(N)nc3N)ccc21 29554484 BVTLYXPJXLFKHC-LLVKDONJSA-N 297.406 2.565 0 1 CFAF Cc1nn(-c2ccc(Cl)cc2F)c(=O)n1C(F)F 103181329 WPCDJTIPGVMACI-UHFFFAOYSA-N 277.633 2.530 0 1 CFAF CSc1cc(C)n2cc(C(=O)c3ccccc3)nc2n1 28231783 LKKOKEJLKPMPHJ-UHFFFAOYSA-N 283.356 2.991 0 1 CFAF O[C@@]1(Cc2ccc(F)cc2)c2ccccc2C2=NCCCN21 28954231 USNNIQTWYBYMPE-SFHVURJKSA-N 296.345 2.679 0 1 CFAF C/C=C(\NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)O 26024635 MWFDSMPNYHPMHB-SILLCRNTSA-N 277.364 2.698 0 1 CFAF COC(=O)[C@H](C)CCC[C@](C)(O)[C@@H]1CC[C@](C)(O)[C@@H]1C 2356793995 HRHABFVVFDETJB-UVQHHTHUSA-N 286.412 2.514 0 1 CFAF Cc1cc2c(cc1C)[n+](=O)[nH]n2Cc1ccccc1 377849467 DDFRSFYVJUPTKZ-UHFFFAOYSA-N 254.313 2.549 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cncs1)O2 587415174 YBHASZUVKJGXKX-NSHDSACASA-N 260.318 2.740 0 1 CFAF Clc1ccccc1NCc1nc2ncc[nH]c-2n1 587061084 AEMJZBPTARVDGB-UHFFFAOYSA-N 259.700 2.570 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3nonc13)O2 587396321 ZGYYZSTVFPQELD-AWEZNQCLSA-N 295.298 2.820 0 1 CFAF Cc1cncc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c12 586907005 IMJZQCYDGYAJDA-JTQLQIEISA-N 281.315 2.847 0 1 CFAF N=c1ccc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c[nH]1 587254510 KNCYBXDWMYKGBP-UHFFFAOYSA-N 296.227 2.518 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1cnoc1C)[C@@H](C2)C3=O 587437350 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275.355 2.588 0 3 CFAF C[C@H]1[C@H]2C3=CC=CC[C@@H]3[C@@H](Cc3ccccc32)N1CCO 100931779 YTSBJXNNZPIKFL-PTKHLAPESA-N 281.399 2.894 0 1 CFAF c1c[nH]c2cc(-c3ccc(C4OCCO4)cc3)nc-2n1 100827620 KYVIHBIWHGZGNY-UHFFFAOYSA-N 267.288 2.622 0 1 CFAF CCc1cc2n(c1C(=O)c1ccccc1)CC[C@H]2C(=O)O 27903942 VHFOHRWLWQSGMY-CYBMUJFWSA-N 283.327 2.853 0 1 CFAF CCOC(=O)C(=O)Nc1cccc(/C=C/c2ccccc2)n1 28262471 WLOQTAUWEVEZOC-VAWYXSNFSA-N 296.326 2.754 0 1 CFAF CC(C)(C)c1ccc(CC(=O)N2CC[C@@]2(C)C(=O)O)cc1 61926375 GJWHRSAKGNULFF-KRWDZBQOSA-N 289.375 2.602 0 3 CFAF CCCC[C@H](N)[P@](=O)(O)[C@H](O)CCc1ccccc1 49087946 KOZNLOGJETUNMK-KGLIPLIRSA-N 285.324 2.683 0 1 CFAF COc1ccc(CO)c2c1Nc1c(cccc1C(=O)O)N2 49051737 LKWZTZKJBSXFNQ-UHFFFAOYSA-N 286.287 2.686 0 1 CFAF C[C@@H]1OC(=O)[C@@H]1NC(=O)CCCCCCc1ccccc1 84689714 QDEOKQNSXNQTMN-XJKSGUPXSA-N 289.375 2.610 0 1 CFAF Cc1nn(-c2ccccc2)c2[nH]c(=O)c3c(c12)CCC3 40955839 OFCHNKYGEUCALL-UHFFFAOYSA-N 265.316 2.511 0 1 CFAF Cc1ccc2c(c1C)O[C@@]1(OC(=O)c3ccccc31)C2=O 95587407 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Cn1nc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)c(F)c1O 587156138 WCROLLAIINNNBL-UHFFFAOYSA-N 289.314 2.501 0 1 CFAF Fc1cccc2c(-c3nc4ccncc4[nH]3)n[nH]c12 587177557 MUBQBOOPMFFYNQ-UHFFFAOYSA-N 253.240 2.640 0 1 CFAF Oc1nc(-c2nc3cc(F)c(F)c(F)c3[nH]2)cs1 587016961 GBLSHPXAZQIUQE-UHFFFAOYSA-N 271.223 2.809 0 1 CFAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3nc(Cl)c[nH]c-3n1)C2 586888861 YYOGGSWKJUZELV-XHNCKOQMSA-N 288.738 2.597 0 1 CFAF C[C@H](F)[C@H](N)c1nc2cccc(OC(F)(F)F)c2[nH]1 587122027 BFAQKKDSMYYSDL-XNCJUZBTSA-N 277.221 2.819 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)C[C@@H](c1ccccc1)CC3 587561175 DUXJDDRZEOKIEF-NSHDSACASA-N 293.326 2.709 0 1 CFAF CN1CC[C@@](C)(O)[C@@H](c2cc3c4c(cccc4n2)CC3)C1 587212316 NBGRVGFVWDMRLV-RDTXWAMCSA-N 282.387 2.504 0 1 CFAF Cc1nc(COc2ccc([C@@H](N)N=O)cc2)cs1 958040009 DKFJFZVLPNFHGI-LBPRGKRZSA-N 263.322 2.754 0 1 CFAF Cn1c(O)nc2ccc(OCc3cccc(F)c3)cc21 1857607820 CLDDRIOTMQZSIL-UHFFFAOYSA-N 272.279 2.997 0 1 CFAF CCN1c2cc(C)c(C)nc2N(C)C(=O)c2cccnc21 5842481 RNAGXXMTORDUQK-UHFFFAOYSA-N 282.347 2.841 0 1 CFAF O=C(O)Cn1ccc(C(=O)c2ccc(C(F)(F)F)cc2)c1 13493076 SBSBKXGUNCSKSU-UHFFFAOYSA-N 297.232 2.823 0 1 CFAF Cc1c(O)c(C=O)c(O)c2c(=O)cc(-c3ccccc3)oc12 14825739 IGNBNJUVMNCTNB-UHFFFAOYSA-N 296.278 2.992 0 1 CFAF NC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 205404290 PUIHHNZZMDYEMR-UHFFFAOYSA-N 252.277 2.721 0 1 CFAF Oc1ncn(Cc2ccc(Cl)c(Cl)c2)c2ncnc1-2 101474928 ZSMHXCBXITXJLV-UHFFFAOYSA-N 295.129 2.839 0 1 CFAF OC12C[C@@H]3CC(C[C@H](C3)C1)N2CCc1cccc(F)c1 101437600 PQOYWDUBENTMOM-JCAIJIATSA-N 275.367 2.951 0 1 CFAF Nc1ccc(C2=C[C@H](c3ccc(O)cc3)NC(S)=N2)cc1 103209876 MNOZVNQIJXOAIO-OAHLLOKOSA-N 297.383 2.946 0 1 CFAF COc1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2N(C)C)c1 27624012 NBUGICWZAWRVES-HOTGVXAUSA-N 290.407 2.640 0 1 CFAF CC(C)N[C@H](C)[C@@H](O)COc1ccc2ccccc2c1 28766245 PZPAJMWFOHJPAQ-DYVFJYSZSA-N 273.376 2.966 0 1 CFAF CCOC(=O)[C@]1(C)CCCN1C(=O)c1ccc(C)cc1 61905189 PTHDOGRMOIXNIT-INIZCTEOSA-N 275.348 2.553 0 3 CFAF CC(=O)O[C@H](C)/C=C/c1cc2ccccc2c(=O)o1 40828362 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101033619 SMQDAAJROOZQEQ-SECBINFHSA-N 292.285 2.814 0 1 CFAF COC(=O)[C@@H]1[C@@H](Cc2ccccc2)C[C@H]2CC[C@H]1N2C 101649972 YHWZJYKIOUHJGH-ZJIFWQFVSA-N 273.376 2.501 0 1 CFAF C[C@H](N/C(=C\[N+](=O)[O-])Nc1cccnc1)C(C)(C)C 100025110 JAXRVIXTMJVICB-LZAIMSLLSA-N 264.329 2.593 0 1 CFAF C[C@@H]1[C@H](O)CC(=O)[C@]2(C)CC[C@H]3[C@H]4[C@H](C)CC[C@]4(O)C[C@@]132 2356803950 XPMDRPZFPBRXLT-YTTAGTBOSA-N 292.419 2.540 0 1 CFAF CCOC(=O)[C@@H]1Cc2c(sc3ccccc23)CN1C 26832477 VDEGSCDQEWFPSL-LBPRGKRZSA-N 275.373 2.821 0 1 CFAF CCCc1cc(=O)oc2cc3c(c(O)c12)C(=O)C[C@@H](C)O3 40939904 OMSVDZFJLVKJSP-MRVPVSSYSA-N 288.299 2.805 0 1 CFAF COC(=O)C1=C[C@H]2C(=C(C)CC[C@H]2[C@H](C)CO)CC1 238757289 XRCMEOXEWNTAPL-UGFHNGPFSA-N 264.365 2.851 0 1 CFAF COc1cc(OC)c2[nH]c([C@H](C(C)C)N(C)C)nc2c1 587198534 IZIGNUIMBWFCSE-AWEZNQCLSA-N 277.368 2.839 0 1 CFAF COc1nccc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c12 586905794 CFYRIDHUJDWRKA-XYOKQWHBSA-N 293.282 2.635 0 1 CFAF NC(=O)Cc1cnc(-c2ccccc2)c2ccccc12 169315949 FWOMQCSLXBOMDV-UHFFFAOYSA-N 262.312 2.930 0 1 CFAF O=C(c1ccccc1)[C@@H](Cc1ccccc1)OC[C@@H]1CO1 84403385 BBJQHTPVRVZKSU-DLBZAZTESA-N 282.339 2.896 0 1 CFAF CCOC1=C(C)[C@@]2(CC1)NCCc1c(C(=O)O)cccc12 963132667 RRUATTDVILFNMG-QGZVFWFLSA-N 287.359 2.830 0 1 CFAF Cc1ccc(-c2cnc(N)c(-n3cc(C)nn3)c2)cc1 1857743660 SRJNTNYYXFMJJU-UHFFFAOYSA-N 265.320 2.528 0 1 CFAF COC(=O)c1cc(CCCCCCCO)sc1N 1772631956 SGDXWARJRSQRSZ-UHFFFAOYSA-N 271.382 2.602 0 1 CFAF O=c1onc(Nc2ccccc2)n1-c1ccccc1 5939115 QPXGYDFOMJKJGU-UHFFFAOYSA-N 253.261 2.569 0 1 CFAF COc1cc(-c2ccccc2)nc2c1ccc(=O)n2C 13579534 ZTDDTJJCIKYWRC-UHFFFAOYSA-N 266.300 2.609 0 1 CFAF Cc1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)o1 13685578 XPJZJQJSNDPYHU-UHFFFAOYSA-N 282.299 2.568 0 1 CFAF Cc1nccn1-c1ccc2[nH]cc(CCN(C)C)c2c1 13741365 FKWIKKLASAZVLL-UHFFFAOYSA-N 268.364 2.766 0 1 CFAF Fc1ccoc1CCNC(=S)Nc1ccc(Cl)cn1 13759884 FJELSMKNWJAVBM-UHFFFAOYSA-N 299.758 2.996 0 1 CFAF Oc1ccc(OCCNCCCOc2ccccc2)cc1 13766780 KNRRIHFTWQMRNB-UHFFFAOYSA-N 287.359 2.830 0 1 CFAF C[C@H]1CCC[C@@H](NC(=O)CNCc2ccccc2F)[C@@H]1C 58444875 NOHHYXJOLYVXCJ-WOSRLPQWSA-N 292.398 2.856 0 1 CFAF CC[C@@H](C)[C@@](O)(c1ccc(OC)cc1)c1cncnc1 28767770 IHQMZHLUUURIOZ-MLGOLLRUSA-N 272.348 2.767 0 1 CFAF COC(=O)[C@H]1[C@@H](c2ccc(SC)cc2)C[C@H]2CC[C@H]1N2 101281270 YDNOASAJYGOBQG-NGFQHRJXSA-N 291.416 2.806 0 1 CFAF O=C(COC(=O)[C@@H]1C[C@H]2C=C[C@@H]1C2)Nc1ccccc1F 104103651 GZMPFMLWRQFUSU-QJPTWQEYSA-N 289.306 2.520 0 1 CFAF CC1(C)N=C(N)N=CN1c1ccc(Cc2ccccn2)cc1 29473279 OGSXEMOVJZFEEM-UHFFFAOYSA-N 293.374 2.572 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2cccc(F)c2)C[C@H]2CC[C@H]1N2C 100739486 KBWLRHKLMPNABK-KBUPBQIOSA-N 277.339 2.565 0 1 CFAF CCOC(=O)c1cc2c(Br)cccc2oc1=O 29132042 VFDDEAPBGGOEPR-UHFFFAOYSA-N 297.104 2.732 0 1 CFAF O=C1NC(=O)/C(=C/c2ccc3[nH]c4ccccc4c3c2)N1 29328254 WQZRDRQVCNQXLT-ZSOIEALJSA-N 277.283 2.501 0 1 CFAF Cn1cc(-c2cccc3c2CC[C@@H]3c2ncc[nH]2)cn1 29048232 RGODJQWSYIQDDR-HNNXBMFYSA-N 264.332 2.888 0 1 CFAF COc1cc2oc(=O)ccc2cc1CC=CC(C)(C)O 2356479725 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COc1cc(C)c(N)c(-c2nc3ccc(O)cc3[nH]2)c1 587250544 YLJAUYKDBAPQFU-UHFFFAOYSA-N 269.304 2.835 0 1 CFAF Cc1nccc2[nH]c(-c3cnc(-c4cnn(C)c4)s3)nc12 587020938 DFMZJOYNAWNCIZ-UHFFFAOYSA-N 296.359 2.790 0 1 CFAF Cc1cc2nc(CS(=O)(=O)C3CCCC3)[nH]c2cc1F 586923933 APNAUXSAGWJAOX-UHFFFAOYSA-N 296.367 2.868 0 1 CFAF O=C(c1ccccc1)n1ncc2ccc(Cl)cc2c1=O 587652053 KHBRPNQNHQZLKQ-UHFFFAOYSA-N 284.702 2.738 0 1 CFAF COc1nccc2[nH]c(-c3ccc(CN=O)cc3)nc12 587191309 YEGQLDOEPOFOAR-UHFFFAOYSA-N 268.276 2.900 0 1 CFAF COc1cc2nc([C@@H](N)c3ccsc3)[nH]c2cc1F 587025756 QDXNSRLMPWGJAB-LBPRGKRZSA-N 277.324 2.820 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN3CCC[C@@H]3C1)O2 587395294 PNHHDPWWMOHVPA-SJKOYZFVSA-N 286.375 2.539 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](C1[C@H]3COC[C@H]13)CC2=O 587492637 RLXWUMFVSJIOAT-HUBLWGQQSA-N 288.343 2.571 0 1 CFAF Oc1nccc2[nH]c(-c3ccc(Br)o3)nc12 587006823 PWECJWFMGPAQHS-UHFFFAOYSA-N 280.081 2.686 0 1 CFAF O[C@H](c1nc2nc(Cl)c[nH]c-2n1)c1ccccc1Cl 587059746 UZMRRBRJHWFTIZ-VIFPVBQESA-N 295.129 2.693 0 1 CFAF CC(=O)OC[C@@](C)(O)[C@H]1/C=C/[C@](C)(O)CC/C=C(/C)CC1 15255000 RTFVWCRRSNVOBR-MAOFCVPNSA-N 296.407 2.744 0 1 CFAF endogenous,in-man CCOC(=O)[C@H]1C(C)=NC(=S)N[C@@H]1c1ccc(C)cc1 169700216 HLVSTRRTAQUYKT-QWHCGFSZSA-N 290.388 2.564 0 1 CFAF Cc1ccc(CN[C@H]2COC[C@@H]2Cc2cc(C)no2)cc1 207287563 PWRUUSSQSQZZHX-RDJZCZTQSA-N 286.375 2.639 0 1 CFAF CC(C)=CCC[C@]1(C)Oc2ccc(C(N)=O)cc2C[C@H]1O 2356341310 LIJVEWSHDPKZMX-WBVHZDCISA-N 289.375 2.586 0 1 CFAF CC(=O)Nc1ncc(Sc2ccccc2C(=O)O)s1 1651743 XHKVAKSCPSYRGB-UHFFFAOYSA-N 294.357 2.951 0 1 CFAF COC(=O)[P@](=O)(OC)Oc1ccc(C(C)=O)cc1 3653649 RPXVINQTOFHSTL-SFHVURJKSA-N 272.193 2.874 0 1 CFAF C[C@H]1CN2C(=O)c3ccccc3[C@@]2(c2ccccc2)O1 6495170 MRZJCUSMOAGLGY-YVEFUNNKSA-N 265.312 2.762 0 1 CFAF COC(=O)[C@H](OC)[C@H](Oc1ccccc1)c1ccccc1 2356284094 NPTMPKBEAUYEAM-HZPDHXFCSA-N 286.327 2.995 0 1 CFAF CC[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)C1CCCCC1 2356320580 SDNOKPFTRLZZJR-BPUTZDHNSA-N 278.440 2.803 0 1 CFAF C1=C([C@@]2(C3=NCCN3)COc3ccccc3O2)CCCC1 26003149 KXSACYWFIAFCGP-QGZVFWFLSA-N 284.359 2.699 0 1 CFAF COc1cc(C)c2ccc(=O)oc2c1C=CC(C)(C)O 2356708236 HKFVVPFAQAVZKE-UHFFFAOYSA-N 274.316 2.894 0 1 CFAF Oc1cc2c3c(c1)-c1cc4c(cc1[CH]N3CC2)OCO4 2356816834 RCKXNBXVCIPQRB-UHFFFAOYSA-N 266.276 2.674 0 1 CFAF CO[C@@H]1N(OC)c2ccccc2[C@]12CN=C(SC)S2 34126347 KJSKSCBVIGFOKZ-WCQYABFASA-N 296.417 2.702 0 1 CFAF endogenous,in-man CCC(=O)NC[C@@H](C)c1cn(C)c2ccc(OC)cc12 35786154 HYYGFBAJUJYMSD-LLVKDONJSA-N 274.364 2.817 0 1 CFAF Fc1cccc(-c2nc(CNC[C@H]3CCCO3)co2)c1 72184688 VHWLYWAOCVMTBZ-CQSZACIVSA-N 276.311 2.749 0 1 CFAF c1ccc(C[C@H](C2=NNCCN2)c2ccccc2)cc1 72283671 QQZDRBLYFGVUER-INIZCTEOSA-N 265.360 2.519 0 1 CFAF Cc1nc(Cl)c2ncn(-c3cccc(N(C)C)c3)c2n1 82155981 XVZMLNVQHLSYIJ-UHFFFAOYSA-N 287.754 2.843 0 1 CFAF O=C(O)CSc1ncnc2c1ccn2Cc1ccccc1 1911584052 RTURLJCOZHLJMR-UHFFFAOYSA-N 299.355 2.656 0 1 CFAF CCC[C@@H](C)Nc1nc(N2CCN(CC)CC2)ncc1C 82202014 ZFABOSORSMRLPD-CQSZACIVSA-N 291.443 2.527 0 1 CFAF CCOC(=O)[C@H]1Nc2cccnc2[C@H]2c3ccccc3C[C@@H]12 199146580 DTIJOJUDQVCMQN-KBMXLJTQSA-N 294.354 2.743 0 1 CFAF COc1ccc([C@@H](c2ccccc2O)N2CCOCC2)cc1 140675535 ZWHCONDKBXKLGZ-SFHVURJKSA-N 299.370 2.822 0 1 CFAF O[C@H]1C[C@@H](c2nc3nc(Cl)c[nH]c-3n2)c2ccccc21 586902820 MMEGISGIAPCBJI-ZJUUUORDSA-N 286.722 2.527 0 1 CFAF CN(C)c1ncccc1-c1nc2c(Cl)nccc2[nH]1 587195893 NHFYPSBZZIWEGV-UHFFFAOYSA-N 273.727 2.739 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccns1)[C@@H](C2)C3=O 587453120 QEUCLCROHXIRLN-XPTSAGLGSA-N 273.313 2.640 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)[C@H]1CCCC[C@@H]1CC3 587562330 WTMZTQRJJIBLJZ-SCZZXKLOSA-N 271.320 2.656 0 1 CFAF CN(C)c1ccc(-c2nc3cc(F)ccc3[nH]2)nc1 587194512 HISOEOCTGXBDIJ-UHFFFAOYSA-N 256.284 2.830 0 1 CFAF CC[C@@H]1OCCC[C@H]1c1nc2ccc(C(=N)N)cc2[nH]1 586914061 UFGNDDSZISJNLL-MFKMUULPSA-N 272.352 2.520 0 1 CFAF O=C(O)/C=C/C=C\c1nc2c(ccc3ncccc32)[nH]1 587966267 AULNGKKLUPAEHJ-SOSXVSKCSA-N 265.272 2.765 0 1 CFAF COc1cc2[nH]c(-c3cc(Cl)c(OC)cn3)nc2cn1 587064263 HDEAESRALHZVEP-UHFFFAOYSA-N 290.710 2.691 0 1 CFAF FC(F)=C(C[C@H]1CCCN1)c1nc2cnccc2[nH]1 587087714 FTHVFCNESYXGAM-MRVPVSSYSA-N 264.279 2.708 0 1 CFAF O=C(/C=C\c1nc2cccc(O)c2[nH]1)Nc1ccccc1 587245043 VBWKFGCCFZNACV-KTKRTIGZSA-N 279.299 2.920 0 1 CFAF Fc1cnc(Cl)c2[nH]c(COC(F)(F)F)nc12 587125092 PJLSVFFGXDYQPV-UHFFFAOYSA-N 269.585 2.787 0 1 CFAF O=C(O)C[C@@H]1CCc2nc3cccc4c3c(c2C1)CC4 587216007 YAZGOLXHHZHTTM-SNVBAGLBSA-N 267.328 2.913 0 1 CFAF CC1=C[C@@]2(NCCc3c(C)ccnc32)c2ccc(N)cc2O1 963069405 MIFHDFHTZBYEOD-GOSISDBHSA-N 293.370 2.658 0 1 CFAF C[C@H](O)CCCCC[C@@H]1C[C@H]2CC[C@H]3C[C@@H](C)N=C(N1)N32 1772597907 VIQSIWHNNUCYON-DGADGQDISA-N 293.455 2.661 0 1 CFAF O=c1c2ccccc2nc(N2CCCC2)n1-c1ccccc1 5026017 UWQRDRRBZAANQA-UHFFFAOYSA-N 291.354 2.986 0 3 CFAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC(=O)[C@H]3[C@@H]1CC[C@@H]2O 13541126 UJNDUKZYFWYWJB-KSIDHJATSA-N 286.371 2.788 0 1 CFAF O=c1oc(-c2ccc3c(c2)OCO3)cc2cccc(O)c12 1857552365 LNYURJYDYOVNMJ-UHFFFAOYSA-N 282.251 2.894 0 1 CFAF CN(c1ccc(-c2ccccc2)cn1)[C@@H]1CCN(C#N)C1 1857572828 JBKBOQDILPUBTP-MRXNPFEDSA-N 278.359 2.740 0 1 CFAF c1cn(-c2ccc(-c3ccc(-c4nn[nH]n4)cc3)cc2)cn1 1241444046 OERGRACABVDGFP-UHFFFAOYSA-N 288.314 2.719 0 1 CFAF C[C@@H]1NC(C)(C)CO[C@]1(O)c1cc(Cl)cc(Cl)c1 53229948 DLXDOKNGJXKCNQ-SDBXPKJASA-N 290.190 2.925 0 1 CFAF Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 100626301 IGZBMAFHMCJSPF-KWRZAIAESA-N 293.366 2.861 0 1 CFAF O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc2cccnc2c1 101008468 OCPHXKBVXMHLTL-GVAFMPQTSA-N 290.322 2.546 0 1 CFAF O=c1[nH]cnc2c1c1c(n2-c2ccccc2)CCCC1 26721609 GPETVGDYWDSMNO-UHFFFAOYSA-N 265.316 2.593 0 1 CFAF COC(=O)C=Cc1ccc(O)c([C@@H](O)C=C(C)C)c1 2356540697 HEBLJHRRZWQRCF-AWEZNQCLSA-N 262.305 2.578 0 1 CFAF CC1(C)CCC[C@@]2(C)[C@H]1CC=C1C(=O)O[C@H](OC=O)[C@@H]12 2356689733 WSUTVTBGLINLCL-LMWOUKEDSA-N 278.348 2.821 0 1 CFAF COc1ccc([C@@H](O)c2nc(-c3cncnc3)cs2)cc1 61905563 QMMFJERESGTWNF-CQSZACIVSA-N 299.355 2.690 0 3 CFAF Cc1ccc(CC2=CC(O)=C(CN(C)C)N[CH]2)cc1 2356875774 MCXWIFHUQVMVSZ-UHFFFAOYSA-N 257.357 2.560 0 1 CFAF CC(C)(O)c1cncc(-c2cn3cc(F)ccc3n2)c1 218495077 KWGVNYGGODNQRT-UHFFFAOYSA-N 271.295 2.763 0 1 CFAF COC[C@H](C)NCc1coc(-c2cccc(C)c2)n1 72185378 ZCOJCDFZYQLROC-LBPRGKRZSA-N 260.337 2.775 0 1 CFAF CCC[C@H](O)CC(=O)CCc1cccc(OC)c1 1911571248 BAYZBVGRBCCOEP-ZDUSSCGKSA-N 250.338 2.748 0 1 CFAF Cc1cccc(-c2ccc(N3CCOCC3)nn2)c1C 45364226 KGIVZCVESJPSLS-UHFFFAOYSA-N 269.348 2.597 0 1 CFAF COc1cc(CCc2cc(O)ccc2O)cc2c1OCO2 238765163 YIAWUKAVVZVSQT-UHFFFAOYSA-N 288.299 2.620 0 1 CFAF CN(Cc1cnc[nH]1)c1cccc(Br)c1 96177542 SOHQBXPWSQUGGO-UHFFFAOYSA-N 266.142 2.809 0 1 CFAF CC(C)(C)NCCCNC(=O)c1cccc(Cl)c1 261075359 AVMMABMZDKJDHX-UHFFFAOYSA-N 268.788 2.848 0 1 CFAF CSc1cc(-c2cccc(Cl)c2)nc(O)c1C(N)=O 299864610 MQEPDNIGUWDLHF-UHFFFAOYSA-N 294.763 2.928 0 1 CFAF CC(C)c1cc(-c2nn(C(C)C)c3ncnc(N)c23)no1 653778427 AFAMHDCPKBZSGQ-UHFFFAOYSA-N 286.339 2.768 0 1 CFAF COC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659943 LHTTZTNWJNLCJL-UHFFFAOYSA-N 298.273 2.817 0 1 CFAF Nc1cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2cc1N 587115702 XKOYRFUIMIJXIF-UHFFFAOYSA-N 293.252 2.808 0 1 CFAF COc1ccc(Cc2nc3cccc(O)c3[nH]2)cc1OC 587925221 CVXHKRKECSWFIT-UHFFFAOYSA-N 284.315 2.877 0 1 CFAF CCNC(=O)CCc1nc2cc3ccccc3cc2[nH]1 587230158 IICHJWXWIPKJDP-UHFFFAOYSA-N 267.332 2.785 0 1 CFAF Fc1cnc2[nH]c(-c3ccc(Cl)nc3F)nc2c1 587177235 DRMDHMYBTCYGJG-UHFFFAOYSA-N 266.638 2.952 0 1 CFAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(=N)[nH]cc2[nH]1 587930723 PEZXDASGIRTHAM-DIFFPNOSSA-N 294.358 2.824 0 1 CFAF OCc1ccc(F)c(-c2nc3cccc(O)c3[nH]2)c1 587140202 IMPPMURIXARSIS-UHFFFAOYSA-N 258.252 2.567 0 1 CFAF CCOP(=O)(OCC)[C@@H]1C[N@]1Cc1ccco1 1857622858 KTPPXAYMISNBOE-NEPJUHHUSA-N 259.242 2.687 0 1 CFAF CCCCCC[C@H]([C@H](C)O)n1cnc(C(=O)OCC)c1N 13821008 CFAYCGHJRJDIKW-NWDGAFQWSA-N 297.399 2.534 0 1 CFAF COc1cccc2c1C[C@@H](NC(=O)Cc1ccccc1)CC2 13833094 NBVVSVOKQAVJOT-INIZCTEOSA-N 295.382 2.911 0 1 CFAF Cc1c(-c2ccc(C(=N)N)cc2)[nH]c2cc(C(=N)N)ccc12 168514042 ZVVMRHDBWZJFOO-UHFFFAOYSA-N 291.358 2.711 0 1 CFAF COc1ccc([C@@H](O)COC(=O)/C=C/c2ccccc2)cc1 1857746084 JXBDWAHBXHXBFW-CRVDFBCUSA-N 298.338 2.985 0 1 CFAF O=C(/C=C/c1ccccc1)OC[C@H](O)c1ccccc1 1857750281 JXJQIWFWVPZRCT-PCUGXKRQSA-N 268.312 2.977 0 1 CFAF Oc1ccc(-c2ccc([C@@]3(O)CN4CCC3CC4)cc2)cc1 13757129 DMMXQRSFLVFTNK-IBGZPJMESA-N 295.382 2.972 0 1 CFAF CC[C@H](C)NC(=O)NCc1noc2ccc(C)cc12 6865920 PLJAGJZLERFYEK-JTQLQIEISA-N 261.325 2.734 0 1 CFAF Cc1ccccc1[C@@H]1N(c2nccs2)C(=O)[C@H]2CCCN12 59874911 QLCVVLDQCWMGQX-KGLIPLIRSA-N 299.399 2.961 0 3 CFAF CCC(=O)Nc1ccc(/C=C/C2=NNC(=O)C[C@H]2C)cc1 27103639 QXGGCISTOGPFHH-OALRPVAKSA-N 285.347 2.560 0 1 CFAF CC(C)c1ccc(CNC(=O)[C@@]2(C)CCCN2C)cc1 61904304 ROFKWRLDSTUVGF-QGZVFWFLSA-N 274.408 2.911 0 3 CFAF CC(C)(C)c1cc(Cl)c2c(c1)CNC(=O)CO2 27859054 PIKNZZGPQZNZTG-UHFFFAOYSA-N 253.729 2.646 0 1 CFAF COc1ccc(CNC(=O)c2cc3cc(O)ccc3[nH]2)cc1 27551774 AOQSPDBADRWCNV-UHFFFAOYSA-N 296.326 2.812 0 1 CFAF Cc1cc(O)c(C)c(OC(=O)c2c(C)cc(O)cc2O)c1 2356722293 CCEOVCDVGADDPO-UHFFFAOYSA-N 288.299 2.948 0 1 CFAF C[C@H]1CN(Cc2ccc(OC3CCOCC3)cc2)C(=O)O1 40410349 YJAILWGTJCSUIS-LBPRGKRZSA-N 291.347 2.585 0 1 CFAF COC(=O)Cn1nc(-c2ccccc2OC)c2ccccc21 95771554 RXXMNNREUHMTOX-UHFFFAOYSA-N 296.326 2.885 0 1 CFAF Cc1cnc2[nH]c(Cc3cc(N)ccc3F)nc2c1 587142152 LLAJJUBZTUNXLG-UHFFFAOYSA-N 256.284 2.578 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1c(O)cccc1O)[C@@H](C2)C3=O 587452969 WFYVARXRPYJBLE-BTDLBPIBSA-N 298.294 2.595 0 1 CFAF COc1c(F)cc(-c2nc3cc(N)c(N)cc3[nH]2)cc1F 587134260 DAQKEDAXGFWIHV-UHFFFAOYSA-N 290.273 2.681 0 1 CFAF CC(C)Oc1ccc2nc(-c3cncc(N)c3)[nH]c2c1 587253528 BPSRISSCNWPZOL-UHFFFAOYSA-N 268.320 2.994 0 1 CFAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cnnc(O)c2[nH]1 587932765 ZIAQWSWARWBLFL-QFYYESIMSA-N 296.330 2.512 0 1 CFAF NC(=O)[C@@H]1CC[C@@H]2c3cc(Cl)ccc3N[C@@H]2C1 1857609036 YLRRWSFYZRTZFD-JWKOBGCHSA-N 250.729 2.503 0 1 CFAF O=c1oc(-c2c(F)cccc2F)nc2cnccc12 25841 NFCYNQWUKMMMPK-UHFFFAOYSA-N 260.199 2.528 0 1 CFAF COc1cc(OC)c2cc(C=O)cc(OC)c2c1OC 14761291 RDACXMGPGPUNQI-UHFFFAOYSA-N 276.288 2.687 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2ccccc2)[N@@]1Cc1ccccc1 1857546633 CWIVVRPOHJFJTG-SOLBZPMBSA-N 267.328 2.785 0 1 CFAF CC(C)(C)N=c1nc(-c2ccncc2)[nH]c2cnccc12 1857599137 AFJHACZNTJKCIF-UHFFFAOYSA-N 279.347 2.719 0 1 CFAF CO[C@@]1(C)CCc2c(cc(O)c3c2O[C@@](C)(OC)CC3)O1 1857749888 ZAOJFAXLHIBCCY-HZPDHXFCSA-N 294.347 2.767 0 1 CFAF COc1ccc2c(OC[C@@H](O)CNC(C)C)cccc2c1 28136041 NYMXVBIZRYJLOY-AWEZNQCLSA-N 289.375 2.586 0 1 CFAF Cc1ccc2c(c1)N(Cc1ccccn1)C(=O)[C@@H](C)O2 1328400 SIYWHSMTAZCFGA-GFCCVEGCSA-N 268.316 2.704 0 3 CFAF CCc1ccccc1NC(=O)CCc1n[nH]c(=S)o1 6371725 WWLJKDTZCZTUCM-UHFFFAOYSA-N 277.349 2.866 0 1 CFAF O=c1[nH]c(CCCCc2ccccc2)nc2ncccc12 58590916 KGCFTSWBCFAQQI-UHFFFAOYSA-N 279.343 2.884 0 1 CFAF in-vivo CC1=CC(C)(C)Nc2ccc(Cc3cnc(N)nc3N)cc21 29565776 FINUXCYWQMOVRZ-UHFFFAOYSA-N 295.390 2.839 0 1 CFAF CCC=CC=CC=CC=CC=COC[C@@H](O)CO 2356538396 CQBOBCAMYWRTNO-HNNXBMFYSA-N 250.338 2.505 0 1 CFAF Cc1c(C(C)C)c(=O)on1C(=O)N1C[C@@H](C)C[C@H](C)C1 26939356 QHIHWVFGLMAKMM-QWRGUYRKSA-N 280.368 2.819 0 1 CFAF COc1ccccc1C=CC[C@]1(O)CCC(=O)C[C@H]1OC 2356615311 DIAHBGYCNSEZBL-SJORKVTESA-N 290.359 2.598 0 1 CFAF CC(=O)O[C@@H](C=Cc1ccccc1)C[C@H]1CC=CC(=O)O1 2356627022 TYMKVQRXYUDCIH-CVEARBPZSA-N 286.327 2.893 0 1 CFAF CNc1cc(-c2cccc(OC)c2F)nc2ccnn12 61902573 HSSQKKWNDRHZPT-UHFFFAOYSA-N 272.283 2.586 0 3 CFAF C[C@@H]1CC[C@@H]2C=C(C(=O)O)[C@@H]3C[C@@](C)(C(=O)O)C[C@@]123 2356686482 HUJFKZCVAUJOMH-JJYNOQPESA-N 264.321 2.544 0 1 CFAF CC(=O)OCC(C)=CCC[C@](C)(O)[C@@H]1CC[C@](C)(O)[C@@H]1C 2356804101 AARBOKSNAGDJKW-SIXLDLHFSA-N 298.423 2.824 0 1 CFAF CC(=O)O[C@H]1CC(C)(C)Oc2cc3oc(=O)ccc3cc21 34220893 SDCYRNJKXNEGRI-AWEZNQCLSA-N 288.299 2.958 0 1 CFAF CO[C@@]12C[C@@]34O[C@@H]3CC[C@H](C)[C@@]4(C)CC1=C(C)C(=O)O2 40828263 HKAIYTYUJIXIHQ-HMZGLDLJSA-N 278.348 2.570 0 1 CFAF biogenic,in-vitro Cc1ccccc1Oc1nc2ccsc2c2nnnn12 84689856 HJAKXSJWGBXCNW-UHFFFAOYSA-N 283.316 2.835 0 1 CFAF C[Si](C)(C)C[C@](O)(Cn1cnnc1)c1ccc(F)cc1 195900781 DAJAKIHJIZEVQA-CQSZACIVSA-N 293.418 2.643 0 1 CFAF C/C=C1\[C@H]2CCN3C[C@@]4(c5ccccc5N(C(C)=O)[C@H]4C2)[C@H]13 238734395 OFTFANZUEOWVIA-QIQYVDAKSA-N 294.398 2.714 0 1 CFAF COC(=O)[C@@H]1C[C@H]2C[C@H]1[C@H]1[C@H]2SC(F)(F)C1(F)F 263597732 HCPVBBPSFIHYAT-YQXRAVKXSA-N 284.274 2.775 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C[C@H]1CCCCN1)O2 587398474 DEJCGCXYIXNTON-SJKOYZFVSA-N 288.391 2.833 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)([C@H]1CCCOC1)[C@@H](C2)C3=O 587454725 WJQQXBHIHPFNHF-BNLOLNQZSA-N 288.343 2.628 0 1 CFAF CC[C@@H](C)n1cc(Cl)c(-c2nc3ncncc3[nH]2)n1 587081014 ZLKXMAAEBBAHOP-SSDOTTSWSA-N 276.731 2.841 0 1 CFAF Sc1nc(S)c2nc(-c3occ4c3CCC4)[nH]c2n1 586905647 XREBOQBXBZXCEE-UHFFFAOYSA-N 290.373 2.679 0 1 CFAF CC(C)(SCC(=O)O)c1nc2ccc(Cl)nc2[nH]1 586958731 HVFDOLMSJOJELJ-UHFFFAOYSA-N 285.756 2.664 0 1 CFAF C[C@@H](F)[C@H](N)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587123955 LPMBEAJBJFPHPK-NHBGOVDGSA-N 263.650 2.852 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCN(C(C)C)C1)O2 587394774 IYRBZLKKRMUUIH-QGZVFWFLSA-N 288.391 2.785 0 1 CFAF Cc1ccnc2c1CCN[C@@H]2c1ccnc(Cl)c1F 963083586 DAIQKLURNPUWEF-CYBMUJFWSA-N 277.730 2.813 0 1 CFAF COC(=O)[C@@]1(CC(C)C)NCCc2ccc(F)c(C)c21 962092849 NQRZBEKWOFHFHT-INIZCTEOSA-N 279.355 2.694 0 1 CFAF COC(=O)N1CCS[C@@H](c2cccs2)CC1 1857534916 GTUMUZDXWXZZSA-SNVBAGLBSA-N 257.380 2.995 0 1 CFAF COc1cc(C)cc2cc3c(c(O)c12)C(=O)CC[C@H]3O 13311726 MJYOMLOZJVCNBR-LLVKDONJSA-N 272.300 2.872 0 1 CFAF COc1ccc2c(c1O)O[C@@H]1c3ccc(O)cc3OC[C@H]21 14820613 JAAWOQQDCOFLRV-IAQYHMDHSA-N 286.283 2.716 0 1 CFAF CN1CCc2ccc(O)c3c2[C@H]1Cc1cc2c(cc1-3)OCO2 169307282 MZQXDRXOPKONEY-CYBMUJFWSA-N 295.338 2.873 0 1 CFAF CN(c1ncc(-c2ccccc2)s1)[C@H]1CCN(C#N)C1 1857545768 SINNBEWNTCHRPX-ZDUSSCGKSA-N 284.388 2.802 0 1 CFAF CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCCO3 13491277 IXMSRAZUUSCUJA-ZDUSSCGKSA-N 273.376 2.958 0 1 CFAF C[C@H]1NC(C)(C)CO[C@@]1(O)c1cc(Cl)cc(Cl)c1 56992351 DLXDOKNGJXKCNQ-AMIZOPFISA-N 290.190 2.925 0 1 CFAF CSc1ccc(CNC(=O)[C@]2(C)CCN2C(C)C)cc1 61897149 NYWLTJAAWRSEAV-INIZCTEOSA-N 292.448 2.898 0 3 CFAF Cc1cc2c(cc1Cn1nnc3ccccc31)OCO2 28570022 XEOUDIAIMMNSFN-UHFFFAOYSA-N 267.288 2.517 0 1 CFAF CCCCC(=O)c1cc(OC)cc(OC)c1C=O 28821232 KKLXWRUNAIJRLK-UHFFFAOYSA-N 250.294 2.889 0 1 CFAF C[C@@H]1O[C@H](c2ccccc2)OC[C@H]1NC(=O)c1ccccc1 28826480 PVDCCKRWIUPZAF-FDQGKXFDSA-N 297.354 2.919 0 1 CFAF COc1ccccc1CN(CC(C)C)C1CCNCC1 36093170 UTCDMUIKHGVBIM-UHFFFAOYSA-N 276.424 2.905 0 1 CFAF CN1CCO[C@](O)(c2ccc(-c3ccccc3F)cc2)C1 40422188 AOWQDBSTURJZNA-KRWDZBQOSA-N 287.334 2.600 0 1 CFAF CCCC(=O)c1ccc(O[C@@H]2CCOC2)c(OC)c1 40829572 OKZXIPCCQCIQRX-GFCCVEGCSA-N 264.321 2.846 0 1 CFAF CCC[C@H](O)CC(=O)CCc1ccc(OC)cc1 1911584021 CJHUINKOQJPXNP-ZDUSSCGKSA-N 250.338 2.748 0 1 CFAF Cc1ccccc1C(=O)N[C@H]1CCCCN(C(C)C)C1=O 199719303 UIQTYRKYIKCNTJ-HNNXBMFYSA-N 288.391 2.514 0 3 CFAF CC(=O)CC[C@@H](/C=C/[C@]1(C)C[C@H](O)CO1)C(C)C 85694043 HNZVGCPOGGNFAH-GSMFTCMCSA-N 254.370 2.724 0 1 CFAF O=C1Nc2ccccc2[C@]12C[C@@H]2c1ccc2cn[nH]c2c1 143337439 RJUIETDWZAGQNR-DYVFJYSZSA-N 275.311 2.940 0 1 CFAF COc1cc2c3c(c1)O[C@H](CCc1ccccn1)[C@@H](C2)C3=O 587436270 PCXXEDNXJNLIJH-HUUCEWRRSA-N 295.338 2.839 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(N(C)C)CC1)O2 587387572 QDLHIGFZIGCLHQ-UHFFFAOYSA-N 288.391 2.785 0 1 CFAF COc1cncc2[nH]c(-c3ccc(CN=O)cc3)nc12 587189677 DRECBXOIZVOMDX-UHFFFAOYSA-N 268.276 2.900 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cccnc1F)[C@@H](C2)C3=O 587429341 UIMKZEHHOHKUNG-NHYWBVRUSA-N 285.274 2.718 0 1 CFAF COc1cc2nc([C@H](C(C)C)N(C)C)[nH]c2cc1F 587198988 ULUZTJGHHXDVRX-ZDUSSCGKSA-N 265.332 2.969 0 1 CFAF O=[S@](Cc1nc2cc(F)c(F)c(F)c2[nH]1)CC1CC1 586961042 ZUMPWPRGCDEUPB-IBGZPJMESA-N 288.294 2.639 0 1 CFAF CSc1ccc2nc([C@@H](O)C3CCOCC3)[nH]c2c1 586916925 PMJXXTKUWZOADV-ZDUSSCGKSA-N 278.377 2.745 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)no1)O2 587395028 NGGJSCNHLVSSLV-GFCCVEGCSA-N 258.277 2.580 0 1 CFAF CC1(C)COc2c(-c3nc4cnncc4[nH]3)cccc21 586912447 SASZDNVGNSTJBE-UHFFFAOYSA-N 266.304 2.690 0 1 CFAF NC(=O)c1ccc2nc(CCc3ccccc3F)[nH]c2c1 587151328 XELUHRTVDJNBMR-UHFFFAOYSA-N 283.306 2.586 0 1 CFAF CCOC(=O)Cc1ccc2nc(CC3CC3)[nH]c2c1 587959596 QDIJGWUQZSWVAX-UHFFFAOYSA-N 258.321 2.621 0 1 CFAF O=C(CCCCCCC1CCCCC1)N[C@H]1CNC1=O 218544481 NXDKSBMRENGOER-AWEZNQCLSA-N 280.412 2.522 0 1 CFAF CC(C)c1cc2oc(=O)n(CCC(=O)O)c2cc1Cl 1772592898 ZQKMPGZRKKBYKW-UHFFFAOYSA-N 283.711 2.846 0 1 CFAF CCc1c(SC)nc2nc(-c3nnc(C)o3)cn2c1C 13822407 XIQKWAKPXLAUIY-UHFFFAOYSA-N 289.364 2.680 0 1 CFAF CC(=O)Nc1ccc([C@@H]2CN3CCCC[C@@H]3CO2)cc1 169315907 CNZMWQSPPLYPPG-CVEARBPZSA-N 274.364 2.571 0 1 CFAF COc1cc2c(cc1OC)[C@@H](C1CC1)ON(C)CC2 1856545 YMUVNYBVMNPMIL-OAHLLOKOSA-N 263.337 2.574 0 1 CFAF Cc1ccc(NC(=S)SCCC(=O)O)cc1 6487067 JUEVYZYAFOGVTR-UHFFFAOYSA-N 255.364 2.900 0 1 CFAF Fc1ccc2[nH]cc3nc(-c4ccon4)nc-3c2c1 100773974 HNEBWZXCFJWKMZ-UHFFFAOYSA-N 254.224 2.857 0 1 CFAF N=C(NCc1ccncc1)c1ccc(Cc2c[nH]cn2)cc1 26377267 CQFRVZRPCYALAO-UHFFFAOYSA-N 291.358 2.511 0 1 CFAF CCCc1nnc2n1N=C(c1ccccc1)[C@H](OC)S2 103174342 BNKRFOKYMSODQM-CYBMUJFWSA-N 288.376 2.561 0 1 CFAF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1cc3ccccc3n1C)C2 103234871 WGAYVVNWRFPKMG-FICVDOATSA-N 298.386 2.960 0 1 CFAF CCCCC[C@H]1Cc2cc(O)cc(O)c2C(=O)O1 2356808718 ZCPYJMSBMMBYSS-NSHDSACASA-N 250.294 2.760 0 1 CFAF CCSC(=S)NCC(=O)c1ccc(OC)cc1 40957371 AUUPUIUXVGQUOO-UHFFFAOYSA-N 269.391 2.506 0 1 CFAF NC(=O)c1cccc2cn(-c3cccc(Cl)c3)nc12 49088562 HWNODZACISEDHJ-UHFFFAOYSA-N 271.707 2.778 0 1 CFAF in-vivo Cn1cc(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cn1 144670779 HSXOFYJETFEUAF-UHFFFAOYSA-N 292.342 2.984 0 1 CFAF CC(=O)Nc1ccc(Cl)c(-c2nc3ncc[nH]c-3n2)c1 587051419 XHNABQFFKDKCQH-UHFFFAOYSA-N 287.710 2.583 0 1 CFAF N=c1[nH]cc2nc(C3(c4ccc(Cl)cc4)CCC3)nc-2[nH]1 587074170 RTPQEFUYWKSQGY-UHFFFAOYSA-N 299.765 2.840 0 1 CFAF CC(=O)NC(C)(C)c1c(C)[nH]c2c(C(=O)O)cccc12 587639006 YIAGPIUBYHKCTC-UHFFFAOYSA-N 274.320 2.546 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)noc1C)O2 587394630 JKECANSLHBAUMN-CYBMUJFWSA-N 272.304 2.889 0 1 CFAF C[C@@H](CC(C)(C)C)c1cnc2nc(O)nc(O)c2c1 587561750 KMAPQVDQCRMXHX-QMMMGPOBSA-N 261.325 2.976 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(C[C@@H]1CCOC1)[C@@H](C2)C3=O 587454550 UHGNEQXSWYNJDC-SVKFGRERSA-N 288.343 2.628 0 1 CFAF NC1CCC(c2nc3ccc(Br)nc3[nH]2)CC1 587256409 IAQZVNHJLFEZLH-UHFFFAOYSA-N 295.184 2.705 0 1 CFAF COc1ccc(Cc2nc3cncc(OC)c3[nH]2)c(F)c1 587149069 PBYQHZFEOLKGSH-UHFFFAOYSA-N 287.294 2.705 0 1 CFAF COc1ccc([C@@H]2CCN(C=O)C2)cc1OC1CCCC1 13741082 UBWPPPJBQAHXLM-CQSZACIVSA-N 289.375 2.962 0 1 CFAF O=C(O)c1ccccc1-c1cc2c(O)cccc2oc1=O 169309738 KYHWFPLNIOCSGI-UHFFFAOYSA-N 282.251 2.864 0 1 CFAF CN[C@H](Cc1ccc2c(c1)OCO2)c1ccc(OC)cc1 169326692 MMNFTQZBSRESAJ-OAHLLOKOSA-N 285.343 2.927 0 1 CFAF O=C(CCc1cccc2c1[C@H](O)OC2)Nc1ccccc1 1857567028 BJJMPQRAKZCGSE-QGZVFWFLSA-N 283.327 2.779 0 1 CFAF c1ccc(COC[C@@H]2CC[C@@H](c3c[nH]cn3)O2)cc1 13524111 RETVAMKTDRMQFH-ZFWWWQNUSA-N 258.321 2.847 0 1 CFAF CCc1ccc2scc(CCNC(=O)NC)c2c1 13781747 SOGBJYMZOQSKKA-UHFFFAOYSA-N 262.378 2.935 0 1 CFAF CC1(C)[C@H]2[C@H]1CC[C@](C)(CO)[C@@H]1CC[C@](C)(O)[C@@H]21 2356417929 QRNCFBFFFBWNIU-JRKAUPQBSA-N 252.398 2.828 0 1 CFAF CC1(C)C=C(c2nc3c(C(N)=O)cccc3[nH]2)CC(C)(C)N1 3819932 ZKFWXZUJCFLPSP-UHFFFAOYSA-N 298.390 2.596 0 1 CFAF COC[C@]1(O)C[C@@]23C(=C1C(=O)O)C[C@@H](CC[C@@H]2C)C3(C)C 2356355474 FXHYJUYTBCLABS-LJYYHZRSSA-N 294.391 2.611 0 1 CFAF O=C1CSc2ccc(Cl)cc2N1C[C@@H]1CCCO1 103174419 YLRCCWOYPFVQSV-JTQLQIEISA-N 283.780 2.958 0 1 CFAF N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2ccc(O)cc12 118569487 OYFLHEHLHPWLDC-UHFFFAOYSA-N 294.266 2.612 0 1 CFAF Cc1nc(C)c2c(=O)n(Cc3ccccc3Cl)[nH]cc1-2 104336377 LNINHQTVDOIBRF-UHFFFAOYSA-N 287.750 2.995 0 3 CFAF Cc1ccc(O)c(SCCCCP(=O)(O)O)c1 26491750 SVLREFQKPDQTJV-UHFFFAOYSA-N 276.294 2.751 0 1 CFAF Clc1ncc(O[C@@H]2CCNC2)cc1-c1ccncc1 26006429 XVYPXIBYGFWIKK-LLVKDONJSA-N 275.739 2.538 0 1 CFAF COc1c(Cl)ccc2c1[C@H](C)NC(NCC(F)F)=N2 29130904 PZVDYPMNMHJRDU-LURJTMIESA-N 289.713 2.855 0 1 CFAF CC(=O)c1cccc(-c2nn(C(C)C)c3ncnc(N)c23)c1 64516719 ILURHKUMGMVIKK-UHFFFAOYSA-N 295.346 2.859 0 1 CFAF CC(=O)[C@@H](O)C[C@@H]1OCc2c(O)ccc(CC=C(C)C)c21 2356680946 ZHPRFHOTZYMSBB-HOTGVXAUSA-N 290.359 2.812 0 1 CFAF COc1ccc(CCOCc2ccc(C=O)[nH]2)cc1 2356720302 WIDQDVZZRNCKCT-UHFFFAOYSA-N 259.305 2.595 0 1 CFAF O=C(Nc1ccc([C@@H]2CCNC2)cc1)c1ncccc1F 117722477 INPKTHOMWVTJRL-GFCCVEGCSA-N 285.322 2.550 0 1 CFAF CCOc1nc(N)nc2ncc(-c3ccc(CC)cc3)nc12 36421887 ORBNSMPWLYWERN-UHFFFAOYSA-N 295.346 2.630 0 1 CFAF CCCC[C@]12C[C@@]1(C(N)=O)C(=O)Nc1ccc(Cl)cc12 34821540 XGIVVAMNUVRXLF-HUUCEWRRSA-N 292.766 2.596 0 1 CFAF CCO[C@@H]1[C@H]2[C@H](C(C)C)CC[C@@H](C)[C@]2(O)CC[C@@]1(C)O 238745501 MQOGRIRJXIYHKV-RNGXCGTMSA-N 284.440 2.986 0 1 CFAF COc1cccc(CCc2nc3ccc(CO)cc3[nH]2)c1 587932400 XHNODEBPFJJPBJ-UHFFFAOYSA-N 282.343 2.849 0 1 CFAF COc1nccc2nc(CCc3scnc3C)[nH]c12 587028326 RHXUOUZEPYZOKN-UHFFFAOYSA-N 274.349 2.517 0 1 CFAF Nc1ccc(-c2nc3ncc[nH]c-3n2)c(C(F)(F)F)c1 587095618 NFTTUVSIUHPAGO-UHFFFAOYSA-N 279.225 2.573 0 1 CFAF O=C1O/C(=C\c2nc3nc(Cl)c[nH]c-3n2)c2ccccc21 586907781 XAFLWYDRKFTRQJ-UITAMQMPSA-N 298.689 2.626 0 1 CFAF CNC(=O)[C@@H]1C[C@@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1 587234662 HVKTVZUEVIJMDN-WDEREUQCSA-N 271.364 2.710 0 1 CFAF COc1cc2nc(-c3cccc(N)c3C(=O)O)[nH]c2cc1C 587248319 MRIHOYGKAPMPBI-UHFFFAOYSA-N 297.314 2.827 0 1 CFAF Cc1nccc2[nH]c([C@H]3C[C@H](O)c4ccccc43)nc12 586900987 FUMVGRKCEJJFBI-JSGCOSHPSA-N 265.316 2.835 0 1 CFAF COc1cc2c3c(c1)O[C@@H](C[C@H]1CCCOC1)[C@@H](C2)C3=O 587454271 SDHPNEDJFISUBR-HONMWMINSA-N 288.343 2.628 0 1 CFAF CC[C@H]1OCCC[C@H]1c1nc2c(S)nc(S)nc2[nH]1 586910219 GYJXJSSLWQBPSJ-RNFRBKRXSA-N 296.421 2.603 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CC[C@@H]1CCCO1)O2 587408021 GJLPGEOCHLYFKA-NWDGAFQWSA-N 275.348 2.870 0 1 CFAF O=C1[C@H]2CCC[C@H]2N1c1ccc(C#Cc2ccccc2)cn1 144948285 ZRRFNKLAOMQOSE-DLBZAZTESA-N 288.350 2.997 0 1 CFAF C=C1Nc2ccccc2C(=O)N1c1ccc(C(=O)O)cc1 957725180 SBIWKXIOQMBZEA-UHFFFAOYSA-N 280.283 2.928 0 1 CFAF CCc1cc(N[C@@H]2C[C@@H]3CC[C@H]2C3)n2nccc2n1 75939231 NIRCSSOUDVMBIL-NTZNESFSSA-N 256.353 2.892 0 1 CFAF COc1nccnc1[C@@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963111476 OCSBQBFVKTYKCN-BBRMVZONSA-N 299.349 2.734 0 1 CFAF O=C(OC[C@H]1CCCN2CCCC[C@H]12)c1cccnc1 5833043 MSQYOYUITDERLP-HUUCEWRRSA-N 274.364 2.503 0 1 CFAF O=C(Nc1n[nH]c2nc(-c3ccccc3O)ccc12)C1CC1 13538537 RHNUSTPOMUKRCM-UHFFFAOYSA-N 294.314 2.679 0 1 CFAF O=CN1CCc2cc3c(c4c2[C@@H]1Cc1ccccc1-4)OCO3 14687786 UNKDZOMBELOPQZ-AWEZNQCLSA-N 293.322 2.694 0 1 CFAF biogenic,in-vitro O=C1CCC(c2ccc3[nH]c(-c4cscn4)cc3c2)=NN1 26729598 WADNGSCJRZQUCL-UHFFFAOYSA-N 296.355 2.906 0 1 CFAF CON(C(N)=O)[C@@H](C)c1cc2ccccc2s1 29571288 MNGPWAAOUIVKIS-QMMMGPOBSA-N 250.323 2.904 0 1 CFAF Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(N)nc12 37858318 WGOCYFJXNFKHER-UHFFFAOYSA-N 286.722 2.941 0 1 CFAF CCOC(=O)c1cc(COc2ccc3ccccc3n2)on1 45385044 ZWIZTMDTEUYORI-UHFFFAOYSA-N 298.298 2.979 0 1 CFAF CCn1c(=O)[nH]c2sc(-c3ccccc3)c(C)c2c1=O 45253584 SXTVZNIJHXQBCW-UHFFFAOYSA-N 286.356 2.747 0 1 CFAF CNCC[C@@H]1CC[C@@H](CCc2cc(F)ccc2OC)O1 40901544 NTTIJAHCUAQKMW-CABCVRRESA-N 281.371 2.924 0 1 CFAF in-vitro CC(C)c1ccc2nc3sc(C(=O)O)cn3c(=O)c2c1 40632117 BQIQBUDLNNGGLZ-UHFFFAOYSA-N 288.328 2.731 0 1 CFAF C/C1=C\CC/C(CO)=C/C[C@H]2[C@H](C1)OC(=O)[C@H]2C 238783792 ILIOGIMGVJEQEZ-RKYUGIQZSA-N 250.338 2.603 0 1 CFAF O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc2ccoc2c1 95607758 KEKXYUQHGRWAJR-QGZVFWFLSA-N 298.342 2.854 0 1 CFAF CC1=C[C@@H](c2ccc(Br)cc2)NC(=S)N1 473136038 NFMUSUKZPDBIMA-JTQLQIEISA-N 283.194 2.872 0 1 CFAF CC(=O)CCC1=CC[C@H]2[C@H](C[C@@H]1C)OC(=O)[C@H]2C 473108001 KVWUOMNJFDNWQM-VMXABPDPSA-N 250.338 2.890 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)-c1ccc(Cl)cc1C3 587368860 QDQAKFCYZWZFAP-UHFFFAOYSA-N 285.690 2.661 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](c1cc[nH]n1)CC2=O 587485609 PRCLWFLAMGNMLU-AWEZNQCLSA-N 272.304 2.774 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)[C@H]1CCCC[C@H]1CC3 587562332 WTMZTQRJJIBLJZ-WPRPVWTQSA-N 271.320 2.656 0 1 CFAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1O 587400703 SEQXKTZWIBQIEK-MRXNPFEDSA-N 299.326 2.998 0 1 CFAF CC(C)c1cc2c(O)nc(O)nc2nc1-c1cccnc1 587556413 VJSFMHAHGRRYTR-UHFFFAOYSA-N 282.303 2.621 0 1 CFAF C=C(NC(C)=O)c1nc2cc(Cl)c(Cl)cc2[nH]1 587202943 IYCRDWUMKYUFOK-UHFFFAOYSA-N 270.119 2.977 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]1OC(C)C)O2 587402790 HSPXMRFWVSRGJH-ZBFHGGJFSA-N 275.348 2.869 0 1 CFAF CC(C)(SCc1nc2ccnc(Cl)c2[nH]1)C(=O)O 586958485 HFXFKQOVZOOACX-UHFFFAOYSA-N 285.756 2.708 0 1 CFAF FC(F)(F)c1ccccc1Cc1nc2cncnc2[nH]1 587106434 BVLPQSGLANPHTJ-UHFFFAOYSA-N 278.237 2.963 0 1 CFAF COc1cncc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c12 587243811 INSFYOZGRCTGBX-FPLPWBNLSA-N 294.314 2.618 0 1 CFAF C[C@@H](NC(C)(C)C)[C@H](O)c1ccc(O)c(Cl)c1 1857571285 OVCZIEKVPBZCBH-PELKAZGASA-N 257.761 2.856 0 1 CFAF NCc1ccc(OC(=O)Oc2ccc(F)cc2)cc1 220475201 KBGQOBXHWJFKKD-UHFFFAOYSA-N 261.252 2.862 0 1 CFAF CCc1cccc(Nc2n[nH]c3c2CN(C(C)=O)CC3)c1 1772614817 RZYSZTUMZFCLCL-UHFFFAOYSA-N 284.363 2.620 0 1 CFAF O=c1cc(O)cc2oc(-c3ccc(O)cc3)c(O)cc1-2 5842381 XVMZAHRLHKPMNY-UHFFFAOYSA-N 270.240 2.528 0 1 CFAF CC(C)(C)c1cc2ncccc2c(NCCCN)n1 13489147 NULPDEVCJOWOBP-UHFFFAOYSA-N 258.369 2.688 0 1 CFAF C=Cc1ccc(OC(=O)c2ccc(O)c(NC=O)c2)cc1 2356322892 CXODQBLIZNFFRE-UHFFFAOYSA-N 283.283 2.823 0 1 CFAF CCO[C@@H]1[C@@H]2[C@H](C(C)C)CC[C@H](C)[C@@]2(O)CC[C@@]1(C)O 2356376042 MQOGRIRJXIYHKV-ROIMOXLHSA-N 284.440 2.986 0 1 CFAF Cc1c(C)c2c(c(C)c1O)S[C@@H](CCCO)O2 6068913 NFFALUZFTIOAOV-JTQLQIEISA-N 254.351 2.901 0 1 CFAF COC(=O)[C@@H]1[C@H](c2ccccc2)C[C@H]2CCC[C@H]1N2C 100786298 BKQAVNYMOZGBMJ-QKPAOTATSA-N 273.376 2.816 0 1 CFAF CCc1ccc(S(C)(=O)=O)c(C(=O)c2ccccc2)c1 28761696 MVARKEIELCWKSI-UHFFFAOYSA-N 288.368 2.884 0 1 CFAF O=C(c1ccc(Cl)cc1)c1ccc2n1C[C@@H](C(=O)O)C2 25997105 OXSPDFAQTOQHHJ-JTQLQIEISA-N 289.718 2.629 0 1 CFAF COc1ccc(C[C@@H]2OC(=O)[C@H](CCC(C)=O)[C@H]2C)cc1 2356705819 FQDIKVIRFICCSR-WQVCFCJDSA-N 290.359 2.785 0 1 CFAF OC1=C[C@H]2OC(c3ccc(O)cc3)=CC=C2C(O)=C1 2356814840 CLQSOFPMUYAYAE-OAHLLOKOSA-N 256.257 2.956 0 1 CFAF CCCNC(=O)c1nnc2c(CC(C)C)cccc2c1N 34205379 OXDLZFDSMXMUKS-UHFFFAOYSA-N 286.379 2.550 0 1 CFAF Cc1cc(C)cc(CC(=O)Nc2sccc2C(N)=O)c1 71329465 DXUHHRPREFMGHI-UHFFFAOYSA-N 288.372 2.645 0 1 CFAF CC1=N[C@@H](C)C(=O)Nc2cc(C(=O)OC(C)(C)C)ccc21 473154589 IVCXAGJLWIMOIY-JTQLQIEISA-N 288.347 2.792 0 1 CFAF CC[C@H](C)NC(=O)c1nc(-c2ccccc2C)cnc1N 473097992 DXOYBZFPJQDSRW-NSHDSACASA-N 284.363 2.563 0 1 CFAF CC[C@H]1OCCC[C@@H]1c1nc2c(S)nc(S)nc2[nH]1 586910218 GYJXJSSLWQBPSJ-NKWVEPMBSA-N 296.421 2.603 0 1 CFAF Fc1cncc(Cl)c1Cc1nc2cnc(Cl)[nH]c-2n1 587176372 QLYZLEVFQGJKKR-UHFFFAOYSA-N 298.108 2.736 0 1 CFAF COc1cc2nc(-c3occ4c3CCC4)[nH]c2cn1 586905600 VJHKOJALNIAOFC-UHFFFAOYSA-N 255.277 2.715 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1cccn1C)[C@@H](C2)C3=O 587429643 CIPWNHVGHGKGPN-YVEFUNNKSA-N 283.327 2.697 0 1 CFAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3ncccc3[nH]2)cc1 587784063 DRMXJIASJDEZSI-CHWSQXEVSA-N 293.326 2.901 0 1 CFAF Cc1cnc(Cl)c2[nH]c([C@@H]3CC(=O)OC3(C)C)nc12 586906109 JJXVJTBCBNMBPH-ZETCQYMHSA-N 279.727 2.729 0 1 CFAF c1ccc2c(N3CCC4(CC3)COC4)cncc2c1 1772570239 GSPSKHPXAWDCSR-UHFFFAOYSA-N 254.333 2.852 0 1 CFAF CN1CCC2(CCN(c3cncc4ccccc34)CC2)C1=O 1772608128 LOFUJUIJYNTOBL-UHFFFAOYSA-N 295.386 2.684 0 1 CFAF COC(=O)[C@@H](c1ccccc1Cl)[C@@H]1CCCCN1 13747209 PIXHGSMGPNTYSH-STQMWFEESA-N 267.756 2.739 0 1 CFAF CSCCC[C@H](Cc1cccc(C(=O)O)c1)C(=O)O 13686631 AIYUYGAIQKHWOE-GFCCVEGCSA-N 282.361 2.771 0 1 CFAF OC1(c2cccc(F)c2)CCN(Cc2ccncc2)CC1 1347759 QLBKAEXFISBJJQ-UHFFFAOYSA-N 286.350 2.704 0 3 CFAF C[C@@H]1CC(=O)C[C@]23CCN(C)[C@@H](Cc4ccc(O)cc42)[C@@H]13 100802438 QTMXUFYDRJEECW-JZDMUPLMSA-N 285.387 2.505 0 1 CFAF Cc1[nH]n(-c2ccccc2)c2nc(C(F)(F)F)cc(=O)c1-2 103971381 HGMOKQDFOHIPPK-UHFFFAOYSA-N 293.248 2.993 0 3 CFAF COc1c(C2=NO[C@H](n3ccnc3)C2)ccc2occc12 28572233 RQEMIGBXKFLFLJ-AWEZNQCLSA-N 283.287 2.961 0 1 CFAF Cc1cc2nc(N)nn2c(-c2ccc(C(F)(F)F)cc2)n1 28241774 IYDPLYPXYKMMLA-UHFFFAOYSA-N 293.252 2.701 0 1 CFAF COC(=O)C(C)=CC[C@@]12CCN(C)[C@@H]1Nc1ccccc12 2356572635 IENBNBOKQXSCQE-IRXDYDNUSA-N 286.375 2.521 0 1 CFAF CC(C)[C@@H]1CC[C@H](C)[C@]2(O)CCC(C(=O)O)=C[C@@H]12 2356651941 ISNQOHCTTZIKKK-GZCFXPHUSA-N 252.354 2.841 0 1 CFAF C[C@@H]1CCC2=C([C@H]3CC(C)(C)C[C@H]31)[C@H](O)OC2=O 2356824308 GUNCMJRPHLTLMA-RTOGKPCTSA-N 250.338 2.641 0 1 CFAF O=C(O)CCc1ncn(-c2cc(Cl)cc(Cl)c2)n1 39233284 PMHWSVQHANSIQL-UHFFFAOYSA-N 286.118 2.591 0 1 CFAF COc1cccc(Cn2sc3ncccc3c2=O)c1 72175151 GCUDKNVKVMULHR-UHFFFAOYSA-N 272.329 2.515 0 1 CFAF CC1=C2C[C@]3(C)[C@@H](C)CCC[C@@]3(O)C[C@H]2OC1=O 85848413 MVFHOCUIRUKOFG-ZEQHWRKHSA-N 250.338 2.580 0 1 CFAF Nc1cccc2c(=O)[nH]c(Cc3ccccc3)cc12 96282487 ICHUPJLXMRFVPX-UHFFFAOYSA-N 250.301 2.701 0 1 CFAF COC(=O)[C@H]1[C@@H](c2ccc(C)c(F)c2)C[C@H]2CC[C@H]1N2C 253640547 ZIXPADCAHDMWPA-XOUADPBQSA-N 291.366 2.873 0 1 CFAF CC[C@H](C)SC(=S)NCC/C=C/[S@](C)=O 1857775268 LLTWYYHQGIWCHB-PUBQTVDSSA-N 265.469 2.675 0 1 CFAF Cc1ccc(-c2cc(CC(=O)O)cc(CC(=O)O)c2)s1 653837583 BNTQTDWAMBPSNF-UHFFFAOYSA-N 290.340 2.978 0 1 CFAF N=c1[nH]ccc2nc(-c3ccc4ccccc4c3N)[nH]c12 587253797 PWOAAMZVVFOFLN-UHFFFAOYSA-N 275.315 2.773 0 1 CFAF N[C@H](c1ccsc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587026036 TYEIHJXXTDKHHF-LLVKDONJSA-N 291.307 2.510 0 1 CFAF COc1ccc2nc(-c3cc(F)c(OC)c(F)c3)[nH]c2n1 587135070 RRCWMKWBSWVGEJ-UHFFFAOYSA-N 291.257 2.920 0 1 CFAF Oc1ccc(C2(c3nc4cccnc4[nH]3)CC2)cc1 586898998 PYNSQJIYZLBERK-UHFFFAOYSA-N 251.289 2.743 0 1 CFAF N[C@H](c1ccsc1)c1nc2cc(Cl)ncc2[nH]1 587024911 GTXWENCAVWSMBT-SNVBAGLBSA-N 264.741 2.721 0 1 CFAF CC(C)[C@H]1CCCc2cc3c(O)nc(O)nc3nc21 587562080 PIHWYUOFZALCDF-SECBINFHSA-N 259.309 2.512 0 1 CFAF C[C@H]1CCO[C@H](c2nc3cc4nc(O)[nH]c4cc3[nH]2)C1 586917861 WWEIRNQPIXHLLI-MADCSZMMSA-N 272.308 2.632 0 1 CFAF CS(=O)(=O)N1N=C2CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 169296804 KLRLPNHPDPJMOW-JSGCOSHPSA-N 296.367 2.688 0 1 CFAF Cc1ccc(NC(=O)Cn2cc3c(n2)CC[C@@H](C)C3)cc1 5148535 VCHDUYFLGAJBFC-CYBMUJFWSA-N 283.375 2.955 0 3 CFAF N=C(N)Nc1ncc(Cl)cc1OCc1ccccc1 13436555 QFMQBESVMHZLLJ-UHFFFAOYSA-N 276.727 2.619 0 1 CFAF C[C@@H](C(=O)CC(=O)OC(C)(C)C)[C@@H](O)c1ccccc1 13829251 DRYNAXQNYIJTLJ-XHDPSFHLSA-N 278.348 2.657 0 3 CFAF COc1ccc([C@H]2C[C@@H](O)[C@@H](CC(C)C)CN2)cc1OC 169368736 GWFDJRQWEMAOSK-RRFJBIMHSA-N 293.407 2.761 0 1 CFAF Cn1cc[n+](COCc2cccc3ccccc23)c1CN=O 169712976 KZSJCMLTEAIJED-UHFFFAOYSA-N 296.350 2.907 0 1 CFAF CC[C@H](C)N=c1nc(O)n(Cc2ccccc2)cc1C 1857543734 RGRPCZBJCREETK-ZDUSSCGKSA-N 271.364 2.645 0 1 CFAF O=c1cc(Cc2ccc(O)cc2)oc2cc(O)ccc12 13797581 ZUDKQDRWUFGUDQ-UHFFFAOYSA-N 268.268 2.795 0 1 CFAF in-vivo CNC[C@H]1CCCC[C@]1(OC)c1cccc(OC)c1 29128726 ZQJYAEVPJBDRFS-ZBFHGGJFSA-N 263.381 2.947 0 1 CFAF CC(=O)Nc1ccc(/C=C/C2=NNC(=O)C(C)(C)C2)cc1 27104003 JACUULLLTGPVOH-RMKNXTFCSA-N 285.347 2.560 0 1 CFAF CCC(=O)N(c1ccc(OC)cc1)[C@@H]1CCC[C@@H]1N(C)C 28238618 JWPRISLADJWQIY-JKSUJKDBSA-N 290.407 2.921 0 1 CFAF Cc1cccc(-c2cc3cncnc3nc2N)c1C 27308748 NKNHWDCALIFNGD-UHFFFAOYSA-N 250.305 2.891 0 1 CFAF COc1ccc2c(c1)C(=O)[C@H]1C=C([N+]#N)C=C[C@H]1N2 27436440 QBYHNPKUGOWAMX-CMPLNLGQSA-O 254.269 2.595 0 1 CFAF O=C1C[C@@H](c2cc3c(c(OC4CCCC4)c2)OCC3)CN1 29544721 NLTGRYQJUGRAGE-CYBMUJFWSA-N 287.359 2.546 0 1 CFAF Cc1cc(O)cc(Oc2cc(O)cc(C(=O)O)c2)c1 2356648907 SQACMUGKTKNAMU-UHFFFAOYSA-N 260.245 2.897 0 1 CFAF COC(=O)CCCC=CCC=CC=CCOC(C)=O 2356679058 DSVPGFNPLBCDKT-UHFFFAOYSA-N 266.337 2.952 0 1 CFAF CC(=O)[C@@H](O)C[C@H]1OCc2c(O)ccc(CC=C(C)C)c21 2356680948 ZHPRFHOTZYMSBB-JKSUJKDBSA-N 290.359 2.812 0 1 CFAF COc1ccc2c(c1)c(C(C)(C)CNC(C)=O)cn2C 35875190 ZSIPGILAUKWEQQ-UHFFFAOYSA-N 274.364 2.601 0 1 CFAF NC(=O)c1cccc2cn(-c3ccc(Cl)cc3)nc12 49114842 ZUUTWXXAMVQOFT-UHFFFAOYSA-N 271.707 2.778 0 1 CFAF in-vivo CN(C)c1ccc2c(c1)C(c1ccccc1)=NCC(=O)N2C 40465378 SBBQWYKHNXGNDN-UHFFFAOYSA-N 293.370 2.566 0 1 CFAF Fc1cccc(-c2ccc3c(c2)CNCc2cnnn2-3)c1 199387581 MGAGCPCNIOGBNX-UHFFFAOYSA-N 280.306 2.677 0 3 CFAF O=C(c1ccc(COc2ccccc2)o1)N1CC(F)(F)C1 95755563 ISQSLWKSXUSANG-UHFFFAOYSA-N 293.269 2.950 0 1 CFAF C[C@@H]1CCCCCCCCC[C@H](O)C(=O)C=CC(=O)O1 299807716 RCRUIACHYDRBJM-KGLIPLIRSA-N 282.380 2.929 0 1 CFAF CCCCN1CCC2(CC1)O[C@H](OC)Cc1ccncc12 299838188 MAPCWTYIAFTINX-INIZCTEOSA-N 290.407 2.718 0 1 CFAF Nc1ccccc1[C@@H](O)CCNC(=O)Nc1ccccc1 653850841 VJGAVHWRHPCMKJ-HNNXBMFYSA-N 285.347 2.514 0 1 CFAF COc1cncc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587395397 QRIZOXXXBBTROX-KRWDZBQOSA-N 298.342 2.861 0 1 CFAF CCN1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@@H]1C 587397293 ZKCODWDSRSXBJV-SJCJKPOMSA-N 288.391 2.785 0 1 CFAF CCCc1nc(C)c2c(C)nc3sc(OC)nc3n12 146994160 HVZHKZZWGGXNFS-UHFFFAOYSA-N 276.365 2.917 0 1 CFAF O=C1CCC[C@@]2(NCCc3ccc(O)cc32)c2ncccc21 963329645 QEKWRMNZKPGXFD-SFHVURJKSA-N 294.354 2.543 0 1 CFAF Cc1ccnc2c1CCN[C@H]2c1scnc1Cl 963066379 HDWVPZOQNZEIGN-SNVBAGLBSA-N 265.769 2.735 0 1 CFAF COc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3C)cc1 1857765982 CBJKWDWALOYJGZ-UHFFFAOYSA-N 267.284 2.521 0 1 CFAF CCCOc1cc(OC)c(C[C@H](N)CC)cc1OC 29390093 NMDBQRGHZUWCJF-GFCCVEGCSA-N 267.369 2.772 0 1 CFAF C[C@]1(C(=O)O)C[C@@H]2C=C(C(=O)O)[C@@H]3CC[C@@]3(C)[C@@H]2C1 2356791475 IPGWJKFNMYXJRY-GMBDUWKCSA-N 264.321 2.544 0 1 CFAF C[C@@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)cc1F 64448061 YDEVCGCLYOHOIL-MWLCHTKSSA-N 264.296 2.926 0 1 CFAF in-vivo Oc1cccc(-c2ccc(N3CCOCC3)cc2)c1 49088302 XGXWVZKCJAYKHW-UHFFFAOYSA-N 255.317 2.896 0 1 CFAF CCOC(=O)/C=C\Sc1ccccc1C(=O)OC 49803029 VCBZDYRPMUWHRP-HJWRWDBZSA-N 266.318 2.642 0 1 CFAF Nc1ccccc1-c1ccc(Cn2ccnc2)cn1 84632654 OSJXTEGBCDXXFZ-UHFFFAOYSA-N 250.305 2.576 0 1 CFAF COc1cc2c(cc1O)[C@@H](c1ccccc1)CNCC2 34487814 KJTCMLYTSGLTBF-OAHLLOKOSA-N 269.344 2.678 0 1 CFAF Brc1ccc(CCn2ccnc2)cc1 40568120 PAYXPBIBNFYADE-UHFFFAOYSA-N 251.127 2.888 0 1 CFAF in-vivo CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)OC[C@@H](C)O 95626050 FLYJSXDJKBHQAU-UMSGYPCISA-N 258.358 2.981 0 1 CFAF endogenous,in-man Cc1ccccc1-n1nccc1-c1ccnc(NC(N)=O)c1 141312698 NOUBNTGMGTVVJS-UHFFFAOYSA-N 293.330 2.733 0 1 CFAF CN1[C@H]2CC[C@H]1[C@@H](/C=C/CO)[C@H](c1ccccc1)C2 261076629 BAROFIYZXNPKFU-TUEWQMNCSA-N 257.377 2.801 0 1 CFAF CCCc1ccc2c(c1)C(=O)c1nc3ccccc3c(=O)n1-2 299839398 RFIAVDCMHSBMSM-UHFFFAOYSA-N 290.322 2.883 0 1 CFAF C[C@H](Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)N(C)C 587192126 RJGIHSFITDVKRV-RXMQYKEDSA-N 275.249 2.612 0 1 CFAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3c(N)ccnc3[nH]2)cc1 586885362 CBRLPTUIDXXEQR-QMTHXVAHSA-N 282.347 2.686 0 1 CFAF Oc1nccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c12 587083929 DADBZLUJDLDPOE-UHFFFAOYSA-N 286.722 2.792 0 1 CFAF Clc1cc2nc([C@@H]3CCOC3)[nH]c2c(Cl)n1 586912521 VEMWZKDTOCRIQW-RXMQYKEDSA-N 258.108 2.769 0 1 CFAF COc1cc2nc(-c3ccc(Cl)nc3F)[nH]c2cn1 587178198 UYTCWYFBQNYQRQ-UHFFFAOYSA-N 278.674 2.821 0 1 CFAF CC1(C)OC(=O)C[C@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 586910847 QCVIYFPXKVZRRP-LURJTMIESA-N 299.252 2.786 0 1 CFAF C[C@H](O)Cc1nsc(Nc2ccc(Cl)cc2)n1 82052305 OVNZGVOASGSUFD-ZETCQYMHSA-N 269.757 2.858 0 1 CFAF CCC[C@@]1(C(=O)O)c2c(F)cccc2C[C@H]2CCCN21 963110077 QIXBJHCXJGEWNQ-WBMJQRKESA-N 277.339 2.926 0 1 CFAF CCCc1nn(C)c2c1NC1(CCC(C)(C)CC1)NC2=O 1772643247 JMBXRTCDJIKSEG-UHFFFAOYSA-N 290.411 2.824 0 1 CFAF CN1[C@H]2CCc3ccccc3[C@@]1(O)c1ccccc12 169373331 STUAGFZGFQVIOY-DLBZAZTESA-N 251.329 2.813 0 1 CFAF Oc1cccc(-c2nnnn2-c2nc3ccccc3s2)c1 1857558441 CIXLXPLCNNMVRC-UHFFFAOYSA-N 295.327 2.645 0 1 CFAF Cc1n[nH]c2c1[C@H](c1cccc(Cl)c1)CC(=O)N2 205742 OEJQYEOFLYEAQJ-JTQLQIEISA-N 261.712 2.846 0 1 CFAF C[C@H](O)[C@H]1C[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN(C2)[C@@H]13 101017066 TVPHSOXWTLOHCG-KJZGRGJYSA-N 296.414 2.899 0 1 CFAF CC[C@H](C)c1nc2nc(N3CCC[C@H]3C)ccc2[nH]c1=O 58978404 YGTGZWSSTUALBO-WDEREUQCSA-N 286.379 2.820 0 1 CFAF c1cc(-c2cnc3cc4c(cc3n2)[C@H]2CNC[C@H]4C2)c[nH]1 101032844 YYWDSYCXFGGAQR-VXGBXAGGSA-N 276.343 2.799 0 1 CFAF C[C@@H](CNCC1CC1)Oc1cccc2ccc(N)nc12 28387558 JTXVIXJQQCNCCQ-NSHDSACASA-N 271.364 2.584 0 1 CFAF S=C(c1ccccn1)N1CCN(c2ccccc2)CC1 26998002 UVGPYPYIAMKOME-UHFFFAOYSA-N 283.400 2.579 0 1 CFAF CC(=O)[C@H](C)[C@H](O)[C@H](C)c1ccc(C)cc1C=CCO 2356628050 FTTQBBNJVTYJPS-AHIWAGSCSA-N 276.376 2.690 0 1 CFAF O=C(N1Cc2ccccc2C1)N1CCC[C@H]1CN1CCCC1 36188072 OLLNICZPNGPQOG-KRWDZBQOSA-N 299.418 2.682 0 1 CFAF CC(=O)[C@]12C[C@]3(C)CCCN(C(=O)N[C@@H]1c1ccccc1)[C@@H]32 72136056 ONTKFHSXUVMCCB-MXSMSXNCSA-N 298.386 2.901 0 1 CFAF CN1CCN(c2ncnc3c2sc2ccccc23)CC1 73196246 WIQWOMWKXUQWOC-UHFFFAOYSA-N 284.388 2.596 0 1 CFAF Nc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cn1 45245975 PWGDOYQXBPVPGB-UHFFFAOYSA-N 296.157 2.901 0 1 CFAF in-vivo CC[C@@]12CC[C@H]3[C@H](C)CC[C@H]4CC(=O)O[C@H](O1)[C@]43O2 40472092 QNOOEARUAZQAMK-BIDNSIISSA-N 266.337 2.607 0 1 CFAF Cc1ccc(C(=O)N[C@@H]2CCCCN(C(C)C)C2=O)cc1 199719413 WDKGFMBEVYWIHV-OAHLLOKOSA-N 288.391 2.514 0 3 CFAF CCc1ccc2c(c1)C(=O)[C@]1(OC(=O)c3ccccc31)O2 95590032 OMEZOSHSJBXCSJ-KRWDZBQOSA-N 280.279 2.848 0 1 CFAF C[C@H]1C[C@@H]2OC(=O)[C@]3(C)CCC[C@](C)([C@H]23)[C@]12CCC(=O)O2 238772350 DFQREMVEHMYQMW-IJJYBAQGSA-N 292.375 2.840 0 1 CFAF CN1[C@H]2CCC[C@H]1[C@@H](OC(=O)Nc1ccccc1)C2 253632846 CWGOEBCFAFOITL-IHRRRGAJSA-N 260.337 2.860 0 1 CFAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(F)cc(F)c2[nH]1 587960639 AADWHNIDBSQYIM-HTQZYQBOSA-N 264.275 2.999 0 1 CFAF Cc1ccnc2[nH]c([C@@H]3C[C@@H](O)c4ccccc43)nc12 586900121 ACXFBWGUMCLHPF-CHWSQXEVSA-N 265.316 2.835 0 1 CFAF CC(=O)N1[C@H](OC(C)C)C[C@H](C)N1c1ccccc1 5853024 IKYCLWWGLXTHBQ-SWLSCSKDSA-N 262.353 2.800 0 1 CFAF CC(=O)[C@@H]1CC[C@@H](C)[C@H]1[C@H]1OC(=O)C=C1C(C)C 13311940 XFPNWKDJTKUHLJ-QFEPDWEUSA-N 250.338 2.746 0 1 CFAF Cc1ccc2c(NN)cc(-c3ccccc3)nc2n1 13579541 CWTSAOIACWWXPW-UHFFFAOYSA-N 250.305 2.891 0 1 CFAF CCN(O)CCc1ccc2c(c1)[C@H](O)c1ccccc1CO2 13745488 QNRAPMXIYHOMOY-GOSISDBHSA-N 299.370 2.914 0 1 CFAF CC(=C[C@@H]1CC2=C(CO)CC[C@@H]2[C@H](C)C1)C(=O)O 2356402059 XMIPXRBROKIJSG-IRUJWGPZSA-N 250.338 2.762 0 1 CFAF O=C(NCc1ccccc1Cl)C1=CSCCO1 6750705 TXCRCBFKSWASCH-UHFFFAOYSA-N 269.753 2.561 0 1 CFAF C[C@@H]1Nc2ccc(C(=O)NC3CCCCC3)cc2NC1=O 6785197 AXQYPYXHIUMKQE-JTQLQIEISA-N 287.363 2.502 0 3 CFAF CC(C)(C)CCN/C(=C\[N+](=O)[O-])Nc1cccnc1 100028773 ZRSIWHVAQXGINY-ZRDIBKRKSA-N 264.329 2.595 0 1 CFAF COc1ccc(C[C@H]2COc3ccccc3CN2)cc1 103241346 OMSBEOABSRHTCT-HNNXBMFYSA-N 269.344 2.789 0 1 CFAF C/C1=C/CC(=O)[C@@H](C)C[C@@H]2OC(=O)[C@@H](C)[C@H]2CC1 100780338 KLZWSNKEPLKAOS-PAKUFXOHSA-N 250.338 2.890 0 1 CFAF endogenous,in-man Cc1ccc(NNC2=Nc3ccccc3C2=O)cc1 100486551 VHQCHAYNSVPXQB-UHFFFAOYSA-N 251.289 2.838 0 3 CFAF C[C@H]1[C@H]2C3=CC=CC[C@@H]3[C@@H](Cc3ccccc32)N1CO 100931661 BKVFAIPAILCULU-PWUKJLEFSA-N 267.372 2.851 0 1 CFAF Cc1ccc(OC[C@@H](O)[C@H](C)NC(C)(C)C)cc1C 28226979 DGCQKEMTEFKFRH-DZGCQCFKSA-N 265.397 2.820 0 1 CFAF S=C(NCCOc1ccccc1)Nc1nccs1 27562833 MJPUUVIJLSCJEY-UHFFFAOYSA-N 279.390 2.509 0 1 CFAF in-vivo O=C(NCCc1cccs1)C1=Cc2ccncc2CC1 29306545 HPXWSXVQPRKSDM-UHFFFAOYSA-N 284.384 2.832 0 1 CFAF CC(=O)[C@H](C)[C@@H](O)[C@H](C)c1ccc(C)cc1C=CCO 2356628053 FTTQBBNJVTYJPS-OGHNNQOOSA-N 276.376 2.690 0 1 CFAF C[C@H]1CCCc2c1sc1c2CN2C(=NC(=O)[C@H]2C)N1 27212196 KQGUGVRHFDKRTR-JGVFFNPUSA-N 275.377 2.700 0 1 CFAF COc1cnc2c3c(nccc13)-c1sccc1C2=O 211031264 JPGGDLQNLNIGJJ-UHFFFAOYSA-N 268.297 2.911 0 1 CFAF CC(C)[C@H]1CC(=O)c2cc([C@@H](C)C(=O)O)ccc2O1 72283561 IMEPSBLHFMECET-YMTOWFKASA-N 262.305 2.865 0 1 CFAF Cn1cnc(-c2ccccc2)c1[C@@H]1C[C@H]1c1ccnc(N)n1 40425291 LUWKTNHNUUQNQZ-CHWSQXEVSA-N 291.358 2.730 0 1 CFAF CC(C)n1cnc2c(Nc3cncnc3)nc(Cl)nc21 95597339 FWFMLCFXVACEPD-UHFFFAOYSA-N 289.730 2.594 0 1 CFAF CSc1sc(-c2cc[nH]n2)c2c1C(=O)NC1(CC1)C2 145935216 NNFXKYNGUIOPBJ-UHFFFAOYSA-N 291.401 2.679 0 1 CFAF CCN1Cc2ccccc2N(C(=O)C2CCC2)CCC1=O 299852767 XGWQESKFZILGOP-UHFFFAOYSA-N 286.375 2.572 0 1 CFAF Fc1ccc(-c2nc3cnc(Cl)[nH]c-3n2)cc1F 587146010 ZQTDSVNZYKFCOV-UHFFFAOYSA-N 266.638 2.903 0 1 CFAF O=C(Cc1nc2ccc(F)cc2[nH]1)OCc1ccccc1 587781473 KOKQMPVZTZPTSQ-UHFFFAOYSA-N 284.290 2.988 0 1 CFAF CC(C)(c1ccc(F)cc1)c1ccc2c(O)nc(O)nc2n1 587369350 GGXNJHWIXJXKPA-UHFFFAOYSA-N 299.305 2.901 0 1 CFAF Fc1cc2nc(-c3cnc(Cl)nc3)[nH]c2cc1F 587085746 FIMLPWARBPPYFF-UHFFFAOYSA-N 266.638 2.952 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCN(C(C)C)C1)O2 587394773 IYRBZLKKRMUUIH-KRWDZBQOSA-N 288.391 2.785 0 1 CFAF CC(C)(C)[C@H]1CCc2nc3nc(O)nc(O)c3cc2C1 587562255 UAICDEOICXNLBR-VIFPVBQESA-N 273.336 2.587 0 1 CFAF Cc1ccc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2n1 587251205 BWJLPHAAIHIKHX-UHFFFAOYSA-N 280.331 2.664 0 1 CFAF Cc1nccc2[nH]c(CCn3ccc(C(F)(F)F)n3)nc12 587118304 LJZSKAVWOQEFJR-UHFFFAOYSA-N 295.268 2.724 0 1 CFAF Oc1ccc2c(c1)C[C@@H]1NCCc3cc4c(c-2c31)OCO4 13366136 LTSPCGWFQLHECP-ZDUSSCGKSA-N 281.311 2.531 0 1 CFAF biogenic,in-vitro COc1cc(OC)c2c(O)c3c(cc2c1)O[C@@H](C)CC3=O 13480579 AHQXDHIRTWHABS-QMMMGPOBSA-N 288.299 2.916 0 1 CFAF biogenic CCC[C@H](N)[C@@H]1C[C@@]1(C(=O)N(CC)CC)c1ccccc1 13760490 FRCRMOSICFMCIZ-XYJFISCASA-N 288.435 2.940 0 1 CFAF CSc1nc2sc3c(c2c(=O)o1)CCCC3 13779497 YFVZFQLKGOVOTB-UHFFFAOYSA-N 253.348 2.850 0 1 CFAF O=C1NN(c2ccccc2)C[C@@H]1SCc1ccccc1 13821625 QNVPRDJQGAYRAY-HNNXBMFYSA-N 284.384 2.840 0 1 CFAF Oc1cn(Cc2ccccc2)/c(=N/Cc2ccco2)s1 169688094 GXPABGGSZXVZNO-NXVVXOECSA-N 286.356 2.997 0 1 CFAF O=c1[nH]c2cnc3[nH]ccc3c2n1CC1CCCCC1 118040128 RVEBOZFTEODWAR-UHFFFAOYSA-N 270.336 2.786 0 1 CFAF O=C1Cc2cc(OCCc3ccc(F)cc3)ccc2N1 1857559304 WHYLGIDKJSHVSR-UHFFFAOYSA-N 271.291 2.942 0 1 CFAF Cc1ccc(CN2CCOC[C@@H](Oc3ccccc3)C2)o1 2356315847 NFSXTTZNFZOMQA-KRWDZBQOSA-N 287.359 2.868 0 1 CFAF CC(C)(C)NC(=O)c1cnn2c1N[C@H](c1ccccc1)C2 28704410 RDRDXGXVZKDZFQ-ZDUSSCGKSA-N 284.363 2.578 0 1 CFAF CC(=O)c1cc2ncc(C(=O)NC3CCCCC3)cc2[nH]1 72323697 SHZBNOBMYGHRDG-UHFFFAOYSA-N 285.347 2.828 0 1 CFAF CCOC(=O)c1c(C(=O)c2ccccc2)csc1N 84671624 KKEGLQCCEIRCGS-UHFFFAOYSA-N 275.329 2.738 0 1 CFAF CC1(C)[C@@H]2CC[C@@H](C(=O)O)[C@@]23CC[C@@](C)(O)[C@@H]1C3 85840229 FRJSLEWOWKLZSF-LNNJMGJISA-N 252.354 2.675 0 1 CFAF C[C@H](C[C@H]1COC(N)=N1)c1ccc(C(F)(F)F)cc1 149273392 UERYYXDHMLBIFZ-KCJUWKMLSA-N 272.270 2.913 0 1 CFAF CCN(CCCc1c[nH]c2ccc(F)cc12)S(C)(=O)=O 95605535 VHEPMJPGDONDIR-UHFFFAOYSA-N 298.383 2.521 0 1 CFAF Nc1ccc(/C=C/n2ncc(Cl)c(Cl)c2=O)cc1 84652867 QDDGSXVEWWLWBZ-AATRIKPKSA-N 282.130 2.760 0 1 CFAF CCOC(=O)c1c[nH]c2ncnc(-c3ccc(O)cc3)c12 261181592 WFZVLXFDJPXDGD-UHFFFAOYSA-N 283.287 2.507 0 1 CFAF Cc1c(C(=O)Nc2cccs2)sc2[nH]cnc(=O)c12 653718324 AJMWNCXAJMALBZ-UHFFFAOYSA-N 291.357 2.607 0 1 CFAF Nc1c(-c2ccc(Cl)cc2)n[nH]c1-c1nncs1 653704599 JLNIEKFJMUEVSJ-UHFFFAOYSA-N 277.740 2.831 0 1 CFAF CN(C)c1ccc(-c2nc3cnc(Cl)cc3[nH]2)nc1 587195106 QZEKTLDFSSYNTK-UHFFFAOYSA-N 273.727 2.739 0 1 CFAF CC(=O)c1ccc2nc(-c3csc(O)n3)[nH]c2c1 587016361 AHERRRGWEOPNDQ-UHFFFAOYSA-N 259.290 2.595 0 1 CFAF NC(=O)Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1 587243900 TUCJZDOXLYCZNU-UHFFFAOYSA-N 270.267 2.860 0 1 CFAF COc1ccc(C=O)cc1-c1nc2c(C)nccc2[nH]1 587785784 CIOQALNEVVBLOD-UHFFFAOYSA-N 267.288 2.754 0 1 CFAF COc1cc2c3c(c1)O[C@H](CC[C@H]1CCCO1)[C@@H](C2)C3=O 587455834 QLVXYQPHUVQGMF-MRVWCRGKSA-N 288.343 2.770 0 1 CFAF COc1nccc2nc([C@@H](C)Sc3ncccn3)[nH]c12 586963352 IXSAKTUICJRYQF-MRVPVSSYSA-N 287.348 2.610 0 1 CFAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cccnc2[nH]1 587071239 XTOKTQNWCHMHKV-NSHDSACASA-N 286.766 2.896 0 1 CFAF COc1ccc2nc(-c3cnc([C@@H](C)O)s3)[nH]c2c1 587022707 VOJDNZWPNLBIEG-SSDOTTSWSA-N 275.333 2.748 0 1 CFAF N[C@H](c1nc2ccnc(Cl)c2[nH]1)c1ccc(F)cc1F 587150767 OWAKBHIDZMLDDK-JTQLQIEISA-N 294.692 2.938 0 1 CFAF Fc1cccc(F)c1CCNC(=S)Nc1nccs1 13744879 BLZZAJBLYALRNA-UHFFFAOYSA-N 299.371 2.950 0 1 CFAF in-vivo COc1nn2cc(-c3cc4c(O)cccc4o3)nc2s1 205918165 HMQDKHYZAQBSHA-UHFFFAOYSA-N 287.300 2.918 0 1 CFAF COCOc1ccccc1C[C@@H]1Cc2cccc(O)c2C1=O 1857745799 ZBNAGORMSKKIJC-CQSZACIVSA-N 298.338 2.973 0 1 CFAF CC(=O)N[C@H](C)C12C[C@H]3C[C@H](CC(CC(=O)O)(C3)C1)C2 2836513 FILJOBLEUYFETE-FGPRIRETSA-N 279.380 2.572 0 1 CFAF CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)[C@H]1CC 100035984 NNADEQPEAWEFMV-NOHQBZTLSA-N 267.325 2.740 0 1 CFAF Nc1ncc([S@](=O)c2ccc3cc(F)ccc3n2)s1 26500508 YDTQJYDDVSKIPK-IBGZPJMESA-N 293.348 2.579 0 1 CFAF CC1=C[C@H](CC2=CC(=O)O[C@@H]2O)[C@@H](C(C)C)CC1 40918668 XSUQCIIWOCZPHC-KYOSRNDESA-N 250.338 2.807 0 1 CFAF CC1=C[C@@H]2[C@@H]([C@H](C)CO)CC=C(C(=O)O)[C@@H]2CC1 49525696 XBUHBZLIZBPSET-NRWUCQMLSA-N 250.338 2.618 0 1 CFAF C(=C/[C@@H]1C[C@H]1NCC1CCNCC1)\c1ccccc1 1911580406 HNODLNCWVUEPIF-KGVXHEBISA-N 256.393 2.678 0 1 CFAF O=C1CC2(CCCC2)C(=O)N1Nc1ccccc1Cl 40846954 VWADJRPEWFRTEY-UHFFFAOYSA-N 278.739 2.986 0 1 CFAF C[C@@]12C=CC=C3CO[C@@H](c4c(O)ccc(O)c4C1)[C@H]32 238787155 RINQNJVHAUPFKC-HRCADAONSA-N 256.301 2.844 0 1 CFAF C/C(=C\CC[C@@H](C)CO)c1ccc(CO)cc1O 96907939 VTYGGZUALSUBPO-UMQYOCJBSA-N 250.338 2.696 0 1 CFAF CC(C)Nc1nc(N)nc(NCc2ccccc2)c1N=O 95562063 XWEDPRHEDDUGJG-UHFFFAOYSA-N 286.339 2.889 0 1 CFAF CC[C@@]12C[C@@](C)(O)[C@@](C)(O)C[C@H]1CCc1cc(O)ccc12 98203591 KLOVQMUYXAAXQL-BVPBIZIASA-N 290.403 2.898 0 1 CFAF Clc1nccc2nc(Cc3csc4nccn34)[nH]c12 587039906 GRGBMARTOGFCNO-UHFFFAOYSA-N 289.751 2.911 0 1 CFAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cnncc2[nH]1 587929383 IJEVRFVWRNYQHB-BZNIZROVSA-N 280.331 2.807 0 1 CFAF CCc1oc2ccccc2c1-c1nc2c[nH]c(=N)[nH]c-2n1 586904039 PXEKFHHVIFUNQF-UHFFFAOYSA-N 279.303 2.693 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1c(C)n[nH]c1C)O2 587395691 FXEDKQONEBTHCL-KRWDZBQOSA-N 299.374 2.884 0 1 CFAF CC(C)[C@@](C)(O)c1nc2ccc(Br)nc2[nH]1 586886917 GZGKHFUNPIBAPH-LLVKDONJSA-N 284.157 2.584 0 1 CFAF Nc1cc(F)c(-c2nc3c(Cl)ccnc3[nH]2)cc1N 587136858 XMPBXBLJHSIOSM-UHFFFAOYSA-N 277.690 2.582 0 1 CFAF COc1ccc(-c2nc3cncc(OC)c3[nH]2)c(OC)c1C 587788234 SAKNAGBWFSPFLY-UHFFFAOYSA-N 299.330 2.959 0 1 CFAF Cc1nccc2[nH]c([C@@]3(N)C[C@H]3c3ccccc3F)nc12 587156372 MLFYVVDIKAFPJH-MEDUHNTESA-N 282.322 2.747 0 1 CFAF CC(=O)[C@H]1C[C@]2(c3ccccc3)C(=O)c3ccccc3N2O1 5712864 YZWBVQPLHHHLEF-AEFFLSMTSA-N 293.322 2.878 0 1 CFAF COc1ccc2c(c1)[C@@]1(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]1CC2 13600390 UKQCTYNFHYOXFG-TVFCKZIOSA-N 290.403 2.669 0 1 CFAF N=C1NC[C@H](Cc2ccc(-c3ccccc3)cc2)C(=N)N1 13757847 UZWIGXZSOSHNKZ-HNNXBMFYSA-N 278.359 2.617 0 1 CFAF CC(C)Cc1ccc([C@@H](C)C(=O)N[C@H]2CCN(C)C2)cc1 13646147 LWNZBPLGOUVEMD-PBHICJAKSA-N 288.435 2.809 0 1 CFAF C/C=C/c1ccc([C@H]2[C@H]3CN(C(=O)C4CCC4)C[C@@H]2N3)cc1 100108762 SOWLUFZCEZLFQE-IVJIAPFUSA-N 296.414 2.786 0 1 CFAF Cc1ccc2c(c1)nc1n2[C@H](CNC2CCC2)COC1 2356298974 NXOKTKMMCANEFD-CYBMUJFWSA-N 271.364 2.558 0 1 CFAF Cc1nc(C)c2cc(C(=O)N[C@@H]3CCCC[C@@H]3C)[nH]c2n1 103285491 HSVUNGFNXXWGPY-TVQRCGJNSA-N 286.379 2.883 0 1 CFAF C[C@@H]1CC[C@@H]2[C@@H](C)CO[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 26824416 FSZYCJZXDCDPHN-LEXUZLFXSA-N 252.354 2.937 0 1 CFAF Cc1cc2c(cc1C)N(C)/C(=C1\C=CC(=O)N=C1)N2 104005713 GHPLCBZSOVDPRG-RVDMUPIBSA-N 253.305 2.544 0 3 CFAF C[C@@H](c1ccccc1)n1[nH]cc2nc(-c3cnn(C)c3)nc1-2 103586005 PGAVQAHWTLHDIY-NSHDSACASA-N 292.346 2.721 0 1 CFAF CCCCC/C=C(\NC(=O)[C@@H]1CC1(Cl)Cl)C(=O)O 26028154 LALWXKAEURAMAW-HWPCKVLBSA-N 294.178 2.845 0 1 CFAF CCOC(=O)/C=C\n1cnc(-c2cccc(Cl)c2)n1 115885408 ZIDYPKUSLUFJCE-SREVYHEPSA-N 277.711 2.632 0 1 CFAF Cn1c(=O)[nH]c2ccc(-c3ccccc3Cl)c(CN)c21 29125248 GEVVWJJNGGEZOW-UHFFFAOYSA-N 287.750 2.646 0 1 CFAF CC(C)(OCc1cnn(-c2ccc(Cl)cc2)c1)C(=O)O 27876125 SVKUUDDAPZWXBI-UHFFFAOYSA-N 294.738 2.906 0 1 CFAF CC(C)COc1cc(C(=O)O)nc2c(N)cccc12 222665511 UQMUZAYVJKDBFB-UHFFFAOYSA-N 260.293 2.550 0 1 CFAF in-vitro CCCCC(=O)Nc1c2sscc-2n(C)c1=O 49803624 AHXFDRDTTICJPB-UHFFFAOYSA-N 270.379 2.742 0 1 CFAF O=C1Nc2ccccc2C[C@]12CCCN2Cc1cccnc1 299849847 FEJNKSJSWPHFMT-GOSISDBHSA-N 293.370 2.611 0 1 CFAF CC[C@H](C)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 587956258 PFIPUCWGJBZYBP-QMMMGPOBSA-N 262.309 2.872 0 1 CFAF Fc1cncc(Cl)c1Cc1nc2cnccc2[nH]1 587176430 UBZGNZNMVACPEE-UHFFFAOYSA-N 262.675 2.736 0 1 CFAF COc1cc(C)ccc1-c1nc2cccc(C(N)=O)c2[nH]1 587925929 TZYFQQNXTNIMQZ-UHFFFAOYSA-N 281.315 2.646 0 1 CFAF CC1(C)CCC(Cc2nc3cnnc(O)c3[nH]2)CC1 587960041 DVNKNOFMGWOEMM-UHFFFAOYSA-N 260.341 2.817 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)-c1cccc(Cl)c1C3 587368760 OGUZTOONKCFGQD-UHFFFAOYSA-N 285.690 2.661 0 1 CFAF CC(C)c1nn(C)c2c1[C@@H]([C@H]1CCO[C@H](C)C1)NCC2 962920364 RWOHGMHSEYVIPF-BFQNTYOBSA-N 277.412 2.545 0 1 CFAF O=[P@@]1(Oc2ccccc2)NCc2ncccc2O1 5939136 ZJKCHHXWFJZLEF-GOSISDBHSA-N 262.205 2.751 0 1 CFAF CC(=O)CC[C@@H](/C=C/[C@@](C)(O)CC(C)=O)C(C)C 14485704 IRHPCGCGDGIOQA-MATWNZDUSA-N 254.370 2.914 0 1 CFAF O=C1Nc2ccccc2CN1c1nc(-c2ccncc2)no1 14974645 CDSOFLCMIBTZNQ-UHFFFAOYSA-N 293.286 2.684 0 1 CFAF CCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1 15257073 JZLXEKNVCWMYHI-CYBMUJFWSA-N 280.364 2.844 0 1 CFAF biogenic,in-vitro CCC[C@]12CCN(CC)[C@H](Cc3ccc(O)cc31)[C@@]2(C)O 169316824 LBPYXBSGYAGZKH-KURKYZTESA-N 289.419 2.831 0 1 CFAF COc1cc(-c2ccc(C(=O)O)s2)cc(C=O)c1O 169699658 CHYKPQQHWBDMFJ-UHFFFAOYSA-N 278.285 2.640 0 1 CFAF CCCN1C[C@H]2OC[C@@H]1C[C@H]2c1ccccc1OC 1857768360 NIAFCBBNMUXTCI-DUVNUKRYSA-N 261.365 2.662 0 1 CFAF CO[C@H](C)CN1CC[C@]2(C)c3cc(O)ccc3C[C@@H]1[C@H]2C 100796890 OYOSCGNGSBDVQJ-HLNSBACISA-N 289.419 2.951 0 1 CFAF c1ccc(-c2cnc3n2C[C@@H](CNC2CCCC2)OC3)cc1 2356299192 BDMZQDXMYWWBDV-MRXNPFEDSA-N 297.402 2.981 0 1 CFAF Cc1[nH]nc2c1c(NCCCN)nc1ccc(Cl)cc12 28957034 UHPBRRPKQVPJKU-UHFFFAOYSA-N 289.770 2.834 0 1 CFAF CC(C)[C@@H]1CC(=O)c2c(n(C)c3ccccc3c2=O)C1 27083059 KRMIBSTVVBDBGB-NSHDSACASA-N 269.344 2.940 0 1 CFAF COC(=O)[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1ccccc1 84778227 IVLQXAYOTULLRN-NOQIOLJMSA-N 287.359 2.548 0 1 CFAF COc1cc2[nH]c3c(c2cc1OC)CCc1c[nH]nc1-3 96921639 LZBKCEYZDHXUHK-UHFFFAOYSA-N 269.304 2.674 0 1 CFAF O=c1oc(Oc2ccccc2)nn1-c1ccccc1F 140459457 AEBBUXFOTPGGCH-UHFFFAOYSA-N 272.235 2.757 0 1 CFAF O=C(Nc1ccncn1)c1cccc(Oc2cccnc2)c1 96939156 JTRCVEHTIBFSFG-UHFFFAOYSA-N 292.298 2.916 0 1 CFAF CC(=O)N1N=C(c2ccc(C)nc2)O[C@@H]1c1cccs1 96935254 FEOCOLQFOFZWFB-CQSZACIVSA-N 287.344 2.691 0 1 CFAF O[C@@]12[C@@H]3[C@H]4C[C@@H]5[C@@H]3[C@H]([C@H]3[C@H]5[C@@H]4[C@H]31)N2Cc1cccc(Cl)c1 261160400 QSSZMHMBGVJKCS-UHJYPXPSSA-N 299.801 2.601 0 1 CFAF COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1N 587389389 KDJMJYWSWMQWMU-OAHLLOKOSA-N 298.342 2.875 0 1 CFAF CC(C)Oc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 587553847 DWCXEESKPPLFEF-UHFFFAOYSA-N 297.314 2.890 0 1 CFAF CCOC(=O)[C@@H]1CCc2c1nc1cccc3c1c2CC3 587214955 XPNOIFRACOLVFQ-CYBMUJFWSA-N 267.328 2.926 0 1 CFAF Oc1nc(-c2nc3ccnc(Br)c3[nH]2)cs1 587018100 UGUQWZKMIYYCSG-UHFFFAOYSA-N 297.137 2.550 0 1 CFAF COc1cc2c3c(c1)O[C@](CC(C)C)(C(C)=O)[C@@H](C2)C3=O 587441541 HJRRPGUFZSGJJK-SUMWQHHRSA-N 288.343 2.817 0 1 CFAF COC(=O)[C@H](N=O)c1[nH]c2cccc(F)c2c1C 587635696 PGXDYRNBOAFDGR-LLVKDONJSA-N 250.229 2.596 0 1 CFAF CC[C@H](C)c1nc2ccc(S(=O)(=O)CC)cc2[nH]1 587957045 YRHIHPYJTUQYAZ-VIFPVBQESA-N 266.366 2.870 0 1 CFAF CC(=O)c1ccc2nc(COC(F)(F)F)[nH]c2c1 587125170 QTDAUTXKGVPJIN-UHFFFAOYSA-N 258.199 2.802 0 1 CFAF O=C(O)c1ccc(Cn2ccc(=O)cc2C(F)(F)F)cc1 957615237 MPRQWFYDRUOEIB-UHFFFAOYSA-N 297.232 2.614 0 1 CFAF O=C1OC(=C(Br)Br)C2=C1CCC2 1857632101 LNOLNVVSFCHWTP-UHFFFAOYSA-N 293.942 2.983 0 1 CFAF CCC(=O)N1CCc2[nH]nc(Nc3cccc(C)c3)c2C1 1772593312 CCGKKVPPYSXKSU-UHFFFAOYSA-N 284.363 2.756 0 1 CFAF Cc1cc2c(cc1C)N(C)S(=O)(=O)c1cccnc1N2 5930810 USDMBKZTANXAMI-UHFFFAOYSA-N 289.360 2.581 0 1 CFAF CN1CC=C(c2c[nH]c3ccc([S@](C)=O)cc23)CC1 13731894 IQSQLDXPUMAYBE-LJQANCHMSA-N 274.389 2.624 0 1 CFAF CCCCN1C(=O)CC[P@]1(=O)c1ccccc1 27732275 CRMSFDBURYPXLD-KRWDZBQOSA-N 251.266 2.622 0 1 CFAF CCCc1cc(O)n2nc(NCc3ccccc3C)nc2n1 6204910 MMWDZONDXHUOJJ-UHFFFAOYSA-N 297.362 2.703 0 1 CFAF COC(=O)/C1=C/C2CC(/C=C(\c3ccccc3)C(=O)O1)C2 105480617 BFSPTGLBIIGTKJ-BMJMZVRVSA-N 284.311 2.710 0 1 CFAF COC(=O)[C@]12CC[C@@H](C)[C@]1(C)Cc1occc1C2=O 2356548884 IRBVJXQACAWUON-TURNYIBQSA-N 262.305 2.614 0 1 CFAF CCCc1cc(O)c(Oc2ccc(C(N)=O)cc2)c(O)c1 64470305 CMVBMQWZJPIHQI-UHFFFAOYSA-N 287.315 2.942 0 1 CFAF CC1=C[C@@H](O)CC(C)=CCc2cc(ccc2O)OC1 2356873734 YIHGUTDHPPJEIM-AWEZNQCLSA-N 260.333 2.971 0 1 CFAF NC[C@@H]1CC[C@H](CCc2c(F)c(F)c(F)c(F)c2F)O1 34639701 IBMMANZZPBFJNC-RQJHMYQMSA-N 295.251 2.821 0 1 CFAF CC(C)(C)OC(=O)C[C@H]1CC(c2ccc(O)c(F)c2)=NO1 40972793 FCGPBXJBPPLXJC-SNVBAGLBSA-N 295.310 2.756 0 1 CFAF C[Si](C)(C)C[C@](O)(Cn1cncn1)c1cccc(F)c1 195976371 KWDCVLWVIRTHPT-CQSZACIVSA-N 293.418 2.643 0 1 CFAF Nc1ccc(-c2ccc(Cn3ccnc3)cn2)cc1 84632733 NORMKPYQLMCDNE-UHFFFAOYSA-N 250.305 2.576 0 1 CFAF Cc1ccc(C(=O)Nc2c(C)cccc2C(N)=O)cc1 146064592 SRQPFTNXHVNLMM-UHFFFAOYSA-N 268.316 2.655 0 1 CFAF O=c1[nH]ccc2c(Nc3ccc(Cl)cc3)ncnc12 96285219 UFZCOMBPDHFAQX-UHFFFAOYSA-N 272.695 2.715 0 1 CFAF CCO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccccc1 617980138 XSBHAZNCNNQLCO-NPRUJURCSA-N 276.361 2.883 0 1 CFAF COc1cc(C)c(C(=O)O)c(O)c1CC=C(C)C 473088681 PLWNCIYTFYBLHZ-UHFFFAOYSA-N 250.294 2.916 0 1 CFAF c1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)nc1 473133696 BFQXOOUEOZCPLQ-UHFFFAOYSA-N 263.260 2.675 0 1 CFAF COc1cc2nc(-c3ccc(F)c(F)c3)[nH]c2cn1 587145839 RTHKHDJFOKWJLA-UHFFFAOYSA-N 261.231 2.912 0 1 CFAF COC(=O)c1cc2[nH]c(C3=CCCC3)nc2cc1OC 586882979 DROKPSHYOLLPMC-UHFFFAOYSA-N 272.304 2.925 0 1 CFAF Fc1ccc2[nH]cc(Cc3nc4cnncc4[nH]3)c2c1 587174040 CUSQRSJDRAXDDT-UHFFFAOYSA-N 267.267 2.564 0 1 CFAF O=[S@@](Cc1nc2ccc3ncccc3c2[nH]1)CC1CC1 586958797 JBQVOOSFWSDWQD-HXUWFJFHSA-N 285.372 2.770 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]1OC(C)C)O2 587402785 HSPXMRFWVSRGJH-GDBMZVCRSA-N 275.348 2.869 0 1 CFAF O=C(Nc1ccc(F)cc1)OCCCc1c[nH]cn1 13747063 TYOPJFQUUJDKRY-UHFFFAOYSA-N 263.272 2.730 0 1 CFAF COc1ccc2c(c1)CCN[C@H]2Cc1ccc(OC)c(O)c1 13831375 NYGNBPLXMNXERU-INIZCTEOSA-N 299.370 2.839 0 3 CFAF CN(C)C(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 234380 QEVCLQSVLRUDFM-NVXWUHKLSA-N 294.354 2.867 0 1 CFAF Cc1cccc(NC(=O)c2cc(Cl)ccc2C(=O)O)n1 103233754 LVSQMMZHMXZCRS-UHFFFAOYSA-N 290.706 2.994 0 1 CFAF COc1c2c(cc3ccc(=O)oc13)CCC(C)(C)O2 34584680 DNCGLORTTICGDM-UHFFFAOYSA-N 260.289 2.905 0 1 CFAF COc1cc(OC)cc(Oc2c(O)cc(OC)cc2O)c1 225299416 FRRGONQXBOKHJF-UHFFFAOYSA-N 292.287 2.916 0 1 CFAF O=C1O[C@]2(Oc3c(Cl)cccc3C2=O)c2ccccc21 95591078 YIGWSTWUUTVPTN-OAHLLOKOSA-N 286.670 2.939 0 1 CFAF Cc1ncsc1[C@H](Cc1ccccc1)O[N+](=O)[O-] 95556913 VVNRSZWPVRHDSM-NSHDSACASA-N 264.306 2.944 0 1 CFAF NC(=O)[C@H]1CCCc2c(-c3nc4ccccc4s3)n[nH]c21 299859439 FSMILAOZICPNNT-VIFPVBQESA-N 298.371 2.592 0 1 CFAF CC(C)C[C@H](O)c1nc2cc3c(cc2[nH]1)OCCCO3 586901480 QHBOCHLLYNVDSL-LBPRGKRZSA-N 276.336 2.804 0 1 CFAF O=C(O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989573 BQZXCJXFRHYISA-UHFFFAOYSA-N 291.262 2.850 0 1 CFAF Nc1ccc2c3c1[C@]1(CCC[C@@H]4[C@H]1C4(F)F)N(CC3)C2 962956611 LGEOMLQRJQEQOY-DFBGVHRSSA-N 276.330 2.901 0 1 CFAF Cc1nonc1[C@]1(C)c2c(F)cccc2C[C@@H]2CCCN21 963086673 BTCWRXSKPFYBTO-LRDDRELGSA-N 287.338 2.801 0 1 CFAF O=C(c1ccc(O)cc1O)c1c[nH]c2ccc(O)cc12 1857550485 SFQWNMNTBQKYBS-UHFFFAOYSA-N 269.256 2.516 0 1 CFAF O=S1(=O)N[C@H](CC2=CCCCC2)[C@@H]2CCCC[C@@H]2O1 12466334 ZOYSOWHUNKOULN-MJBXVCDLSA-N 285.409 2.669 0 3 CFAF C[C@@H](c1ccc(-c2ccccn2)s1)N(O)C(N)=O 13762898 XASWLDFYCYSTDV-QMMMGPOBSA-N 263.322 2.641 0 1 CFAF Cc1cc(=O)oc2cc(SC(=O)N(C)C)ccc12 1861782 GJHCADNBXOGIHI-UHFFFAOYSA-N 263.318 2.875 0 1 CFAF CCOC(=O)/C=C/n1cnc(-c2cccc(Cl)c2)n1 115885410 ZIDYPKUSLUFJCE-VOTSOKGWSA-N 277.711 2.632 0 1 CFAF Nc1ccc(C2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 28231351 QKZZLSKHUZZWJR-SJORKVTESA-N 274.408 2.752 0 1 CFAF COc1cc(CN(C)Cc2cnn(C)c2)c2ccccc2n1 20994386 BASWUHUVOOYQCR-UHFFFAOYSA-N 296.374 2.609 0 1 CFAF N=c1oc2cc(O)ccc2cc1C(=O)Nc1ccc(O)cc1 26497699 ANNAKZAIMHKHDJ-UHFFFAOYSA-N 296.282 2.576 0 1 CFAF c1ccc2c(c1)COc1c3cc4c(cc3nn1-2)OCO4 61920911 AYQUHPYWEYGYCI-UHFFFAOYSA-N 266.256 2.647 0 3 CFAF O=C1Nc2ccccc2[C@@]12CCCN(Cc1ccncc1)C2 72171432 WAMBQOJJNFJIIA-SFHVURJKSA-N 293.370 2.568 0 1 CFAF CC1(C)C=C(c2nc3cc(C(N)=O)ccc3[nH]2)CC(C)(C)N1 40899287 JDLXENDUYZAIAU-UHFFFAOYSA-N 298.390 2.596 0 1 CFAF N[C@H](Cc1cscn1)c1nc2ccc(Cl)cc2[nH]1 224202653 UYODHBNHDDHKDW-SECBINFHSA-N 278.768 2.915 0 1 CFAF Cc1cccc(Oc2ccc(-c3nc(N)nc(N)n3)cc2)c1 653768378 SHBSNOJFANQFGD-UHFFFAOYSA-N 293.330 2.804 0 1 CFAF NC1CC(Cc2nc3cc(Cl)cc(F)c3[nH]2)C1 587255593 RJHIHBNKCKLVPH-UHFFFAOYSA-N 253.708 2.635 0 1 CFAF CC[C@]1(C)C[C@@H]1c1nc2ccc(C(=O)OC)nc2[nH]1 586893873 ZAVDQXJIPKIPIA-XLKFXECMSA-N 259.309 2.648 0 1 CFAF Oc1nc(O)c2ccc(-c3ccc(F)cc3Cl)nc2n1 587368773 WUDAWFNSIVGTBC-UHFFFAOYSA-N 291.669 2.896 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCSC1)O2 587412398 BRYBXPZKFMHJID-AWEZNQCLSA-N 263.362 2.808 0 1 CFAF N=c1[nH]ccc2nc(-c3ccc4c(c3O)CCCC4)[nH]c12 586899334 YLDWSFIBLZKMDN-UHFFFAOYSA-N 280.331 2.622 0 1 CFAF C[C@@H](F)[C@H](N)c1nc2c(Cl)c(Cl)cnc2[nH]1 587122512 DXSABZZVIGYDAX-CVYQJGLWSA-N 263.103 2.623 0 1 CFAF COCC[C@@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 587400184 LIQPJLPXPANMTI-INIZCTEOSA-N 277.364 2.974 0 1 CFAF O=C(O)C1CCN(c2ccnc3c(F)ccc(F)c23)CC1 957647270 CHVPOAZKQSUTDT-UHFFFAOYSA-N 292.285 2.814 0 1 CFAF C[C@@H]1CC(C)(C)C[C@]2(NCCc3ccc(O)cc32)C1=O 963342075 QUKCUHXWLILEML-PIGZYNQJSA-N 273.376 2.758 0 1 CFAF Cc1ccnc2c1CCN[C@]21C[C@@]2(C)CC(=O)C[C@@]2(C)C1 963070670 POCQSOXJVUUJFT-PIIMJCKOSA-N 284.403 2.900 0 1 CFAF CC(C)=C[C@@H]1N[C@@H](C(=O)O)Cc2c[nH]c3cccc1c23 13399522 VZMAHZAQMKNJIG-UONOGXRCSA-N 270.332 2.774 0 1 CFAF in-vitro CC[C@@H]1Cc2c(C)cc(-c3cncnc3)c(O)c2C(=O)O1 1857593042 HGYADYWFTAATEA-LLVKDONJSA-N 284.315 2.649 0 1 CFAF N[C@H](c1ccccc1)c1cccc(CCN2CCOCC2)c1 29405884 IQLGZGZESASNRC-LJQANCHMSA-N 296.414 2.609 0 1 CFAF CC1=CC[C@@]2(CO)CO[C@H](c3ccc(O)cc3)[C@@H]1C2 519098 XXIFNRNIQJKFLP-BZUAXINKSA-N 260.333 2.799 0 1 CFAF CSc1ccccc1N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 103879210 XWWBGDGACMLOGM-DUBDDPSESA-N 287.384 2.944 0 1 CFAF CCSc1nc(=O)c(CC)c(O)n1[C@H](C)CC 100560272 PAFZEVSNZUTXOT-MRVPVSSYSA-N 256.371 2.594 0 3 CFAF CC[C@H]1S/C(=C/c2nc3ccccc3[nH]2)NC1=O 103234153 ZUULJSNRCJNCGX-CEXMDJMXSA-N 259.334 2.503 0 1 CFAF CCC(=O)N(c1cccc(OC)c1)[C@H]1CCC[C@@H]1N(C)C 28234073 FWNNUMIWBJBCEQ-HOTGVXAUSA-N 290.407 2.921 0 1 CFAF CC(C)(C)c1ccc2c(c1)[C@]1(CCS2)NC(=O)NC1=O 26495117 HCJFUNWVAHHLFT-HNNXBMFYSA-N 290.388 2.515 0 1 CFAF CC1=CC[C@H]2[C@H](O)c3c(ccc4c3OCO4)C(=O)[C@@H]2C1 2356752664 IDEZBPJGADQLHU-OSQNNJELSA-N 272.300 2.618 0 1 CFAF O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ncccn1 72112056 OWNJOIUUJXWCBY-UHFFFAOYSA-N 294.097 2.584 0 1 CFAF CN1CCO[C@@](O)(c2ccc(-c3ccc(F)cc3)cc2)C1 40431289 CEPSRYUIZLWMHN-QGZVFWFLSA-N 287.334 2.600 0 1 CFAF Cc1ccccc1C(=O)N[C@@H]1CCCCN(C(C)C)C1=O 199719283 UIQTYRKYIKCNTJ-OAHLLOKOSA-N 288.391 2.514 0 3 CFAF CC(=O)CCC1=CC[C@H]2[C@@H](C[C@@H]1C)OC(=O)[C@@H]2C 238763692 KVWUOMNJFDNWQM-RMIQQSQVSA-N 250.338 2.890 0 1 CFAF biogenic CCN/C=C1\N=C(c2[nH]ccc2Br)C=C1OC 238739162 XKWPDTZEKXMRTF-YFHOEESVSA-N 296.168 2.561 0 1 CFAF C/C1=C\C[C@@H](O)/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 238745778 RLHPCSSGTQNSJN-VLUUFLOMSA-N 250.338 2.602 0 1 CFAF CCOCCOCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 587779305 YWOFLYNDGYYMBW-UHFFFAOYSA-N 292.232 2.672 0 1 CFAF N[C@@H](Cc1c(-c2ccccc2)[nH]c2cc(F)ccc12)C(=O)O 587634910 BTIYCOLFXSWRCA-AWEZNQCLSA-N 298.317 2.928 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1cncc(F)c1)[C@@H](C2)C3=O 587429893 XPPFPPUBSFMUCQ-SUMWQHHRSA-N 299.301 2.892 0 1 CFAF NC(=O)c1cccc2[nH]c(-c3ccc(CN=O)cc3)nc12 587189684 FDPBRSIDIYAXLN-UHFFFAOYSA-N 280.287 2.595 0 1 CFAF CCOC(=O)[C@@H](N=O)c1cc2c3c(cccc3n1)CC2 587212934 MXAISALKNIZVFM-AWEZNQCLSA-N 270.288 2.704 0 1 CFAF COc1cc2c3c(c1)O[C@]1(C(=O)CCC[C@H]1C)[C@@H](C2)C3=O 587447619 UGAINIPYZWWFMA-ZPQPFTAQSA-N 286.327 2.571 0 1 CFAF COC(=O)Nc1ccc(-c2nc3cc(N)c(N)cc3[nH]2)cc1 587243302 IXVNBAOUUBGLBF-UHFFFAOYSA-N 297.318 2.573 0 1 CFAF Nc1ccc2oc(-c3nc4c(N)ccnc4[nH]3)cc2c1 587253046 YZPURHPWQIEXGE-UHFFFAOYSA-N 265.276 2.536 0 1 CFAF Cc1cc(C)cc(OCc2nc3c(N)ccnc3[nH]2)c1 587565000 SNXJSUMYOKMXIR-UHFFFAOYSA-N 268.320 2.736 0 1 CFAF COc1ccc(Cc2nnc3sc(SC)nn23)cc1 1857754159 IENXDNYVTRSELT-UHFFFAOYSA-N 292.389 2.507 0 1 CFAF CC(C)O[C@H]1OC(=O)C(Cl)=C1Nc1ccc(F)cc1 1857768748 YMWFXPQKPCLMMY-ZDUSSCGKSA-N 285.702 2.996 0 1 CFAF COC(=O)c1c(C)cc(O)c(CC=C(C)C)c1O 13335312 CQZKPZSAZXFNFO-UHFFFAOYSA-N 250.294 2.702 0 1 CFAF O=C(O)COc1c(-c2ccccc2)csc1C(=O)O 14955069 DKNDCPXWJCHZJV-UHFFFAOYSA-N 278.285 2.577 0 1 CFAF O=C1Cc2ccc(O)cc2/C=N\C=C\c2cc(O)ccc21 169293581 PHTNPJUNCWXYDO-HBDRURDRSA-N 279.295 2.926 0 1 CFAF O=C1c2ccccc2C(=O)N1C(=S)c1ccccc1 1659573 CIACEMHQWFIMTG-UHFFFAOYSA-N 267.309 2.658 0 1 CFAF COc1ccccc1-c1cc(-c2ccccc2O)nc(=O)[nH]1 103223096 VWGLCSRXBMZTNL-UHFFFAOYSA-N 294.310 2.818 0 1 CFAF NC(=O)N(O)[C@H]1C[C@H](c2cc3ccccc3s2)C1 101241054 HZUKONWCAIZARL-AOOOYVTPSA-N 262.334 2.917 0 1 CFAF COc1cc(O)cc2c1[C@H](c1oc(C)c(CO)c1C)OC2 2356516865 MQZZMIANZWDRAS-MRXNPFEDSA-N 290.315 2.723 0 1 CFAF O=C1O[C@H]2[C@@H](C[C@H]1Cc1ccccc1)C2(Cl)Cl 26576058 DBRQQOGLJMVSRB-MXWKQRLJSA-N 271.143 2.965 0 1 CFAF CCOc1ccccc1OC[C@@H]1CN(C(C)C)CCO1 38893087 YIUUQQVMBNHWQV-AWEZNQCLSA-N 279.380 2.573 0 1 CFAF in-vivo CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)OC(=O)C[C@H]21 34277918 TXENFVISCXJJMT-DAEOAZLPSA-N 266.381 2.905 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2ccc(F)c(C)c2)C[C@H]2CC[C@@H]1N2C 36177169 JWQGRCSMNJKNOQ-LUYZLQTOSA-N 291.366 2.873 0 1 CFAF Nc1ncc(-c2ccccc2)nc1C(=O)Nc1ccccc1 71315847 RNMJNHVCCXRKJE-UHFFFAOYSA-N 290.326 2.978 0 1 CFAF CCOC(=O)c1cncc(/C=C/c2cc(C)cnc2N)c1 45324391 FWLOCTIGQHEYHT-SNAWJCMRSA-N 283.331 2.714 0 1 CFAF CN1CCc2cc(N)cc3c2[C@H]1Cc1cccc(N)c1-3 40859983 SBZULQRCMCHLCL-OAHLLOKOSA-N 265.360 2.603 0 1 CFAF in-vivo COc1ccc(-n2[nH]c3c4c(ncc3c2=O)CCCC4)cc1 137031451 LJLGFSWUKOELCU-UHFFFAOYSA-N 295.342 2.601 0 1 CFAF COc1cc(/C=C/[C@]2(C)C=CC(=O)O2)cc(OC)c1OC 96921240 NROHSEZYYCMLCZ-BIENSFFJSA-N 290.315 2.597 0 1 CFAF C[C@@H]1C(=O)OCc2c(O)cc3c(c21)CCC(C)(C)O3 238752730 OHHXIVFDCOMBOF-QMMMGPOBSA-N 262.305 2.656 0 1 CFAF COc1ccc2c3c(oc2c1)C(=O)N=C1C=CC=CN1C3 377816805 IADROWGKULIMIX-UHFFFAOYSA-N 280.283 2.879 0 1 CFAF CC(=O)N1CCCn2nc(CSc3ccccc3)cc21 473145987 BZZMZRJVPNJUED-UHFFFAOYSA-N 287.388 2.932 0 1 CFAF Cc1ncnc(OCCCN2CCCCC2)c1Cl 299821433 KHPRSRCEONFZAQ-UHFFFAOYSA-N 269.776 2.693 0 1 CFAF O=c1cc(-c2ccc(O)cc2O)oc2cccc(O)c12 653762989 UKDGZUZWPZNMDN-UHFFFAOYSA-N 270.240 2.577 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)O)(c1ccccc1)O2 587406304 GBVDNFPSDFUQNA-KRWDZBQOSA-N 297.310 2.523 0 1 CFAF Cc1ncncc1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873899 OYXVDCKFFNWCDR-UHFFFAOYSA-N 296.261 2.582 0 1 CFAF Fc1ccc2c(c1)C[C@@H](c1nc3cnc(Cl)[nH]c-3n1)O2 587174133 NCBKYSUQNHHALB-JTQLQIEISA-N 290.685 2.773 0 1 CFAF CCO[C@@H]1CCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587403223 LEPQQLWDQLXBIE-GDBMZVCRSA-N 275.348 2.870 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(O)cc(O)c1)O2 587403116 GALDQOIYEYWQSR-OAHLLOKOSA-N 285.299 2.695 0 1 CFAF Cc1ccc2nc(-c3cccc(NC(N)=O)c3C)[nH]c2n1 587238603 DKLXJSBNGDIAJJ-UHFFFAOYSA-N 281.319 2.732 0 1 CFAF COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)nc1 587393002 ANTAVIFHIWNWHF-QGZVFWFLSA-N 298.342 2.861 0 1 CFAF Cc1noc(Cc2cc3c4c(cccc4n2)CC3)n1 587211564 HIPIXPWAFBBATA-UHFFFAOYSA-N 251.289 2.616 0 1 CFAF NCc1cc(=O)c2cc(-c3ccccc3)ccc2[nH]1 1857557725 BJMXYBJUGHYLPA-UHFFFAOYSA-N 250.301 2.654 0 1 CFAF CCn1ccc2c(Oc3cc(CN)ncn3)cccc21 1857611985 MHEFILQJBYKUIF-UHFFFAOYSA-N 268.320 2.702 0 1 CFAF Cc1cccc2nc(-n3c(O)nc4ccccc43)[nH]c12 1772601691 RSMAWJDFMFMDPC-UHFFFAOYSA-N 264.288 2.916 0 1 CFAF CCNc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1 14968277 IRACJWZGMABLEC-UHFFFAOYSA-N 256.227 2.979 0 1 CFAF CC1=N[C@]2(CCCc3ccc(Br)cc32)N=C1N 169708663 QNHHDQXBRHSEHK-CYBMUJFWSA-N 292.180 2.770 0 1 CFAF CCCN(CCC)CCc1ccc2c(c1)NC(=O)C2 28011448 PUDBCZZQDHNFDV-UHFFFAOYSA-N 260.381 2.846 0 1 CFAF CCN(CC)CCN[C@H]1CCc2[nH]c3ccccc3c2C1 39214006 TZTDKXLAAVJOEA-AWEZNQCLSA-N 285.435 2.957 0 1 CFAF O[C@@H]1O[C@H](c2ccco2)C(F)(F)C(F)(F)C1(F)F 1654474 XICDCMDCHMIBAQ-PHDIDXHHSA-N 276.132 2.575 0 1 CFAF O=C1c2ccccc2CC[C@H]1[C@H](O)c1ccccn1 2496965 KMUFRORPXFHGMY-CJNGLKHVSA-N 253.301 2.560 0 3 CFAF COc1cc(C)c2c(O)c3c(cc2c1)[C@@H](O)CCC3=O 2356325737 ZQENMXXRMQUJJM-LBPRGKRZSA-N 272.300 2.872 0 1 CFAF Oc1ccc(C2=NO[C@H](c3ccccc3)C2)c(O)c1 103275751 UEVRIBHIYGXFKI-HNNXBMFYSA-N 255.273 2.964 0 1 CFAF Cc1cc(-n2nc(C)n(C(F)F)c2=O)c(F)cc1Cl 103184233 ZLLXBSVCPPRJBF-UHFFFAOYSA-N 291.660 2.838 0 1 CFAF OCCN1[C@H]2Cc3ccccc3[C@H]1c1ccccc12 100649136 ZICXADCUXFAAOU-IRXDYDNUSA-N 251.329 2.681 0 1 CFAF O=C1OCCCCCCCc2cc(O)cc(O)c21 66074145 ARVHUGRQNWXMGU-UHFFFAOYSA-N 250.294 2.761 0 1 CFAF COc1ccc([C@H](CN(C)N)OCc2ccccc2)cc1 64479806 YQZYSFCBZSKMDG-KRWDZBQOSA-N 286.375 2.759 0 1 CFAF O=C(O)Cc1ccc2c(c1)Oc1ccccc1CC2=O 26012579 VWKRGXNAOQMDIA-UHFFFAOYSA-N 268.268 2.845 0 1 CFAF CC(=CC(=O)O)[C@@H]1OC[C@]23CCCC(C)(C)[C@H]2[C@H]13 2356528575 ZTYVCEZGXCLVBN-XPCVCDNBSA-N 250.338 2.859 0 1 CFAF NC1=N[C@H](c2ccccc2)CN1CCOCc1ccccc1 27716522 UGOVATBYCCKYTQ-KRWDZBQOSA-N 295.386 2.575 0 1 CFAF CN1CCC[C@H]1COc1cncc(N2CCCCC2)c1 64548411 YNWSSCRJTNUEHS-AWEZNQCLSA-N 275.396 2.545 0 1 CFAF CCOc1nc2ccccc2nc1C(=O)Nc1cccnc1 66156790 NPECBJIKEVXKOY-UHFFFAOYSA-N 294.314 2.676 0 1 CFAF C[C@]1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1C1CCC1 40972791 IGZLGFQFXDRWON-QGZVFWFLSA-N 298.390 2.525 0 1 CFAF CSc1sc(-c2cc[nH]n2)c2c1C(=O)NC[C@H]2C 145736474 HJNQBCIFYVLKQF-ZCFIWIBFSA-N 279.390 2.707 0 1 CFAF C/C1=C\C[C@@H](O)[C@@H](C)C[C@H]2OC(=O)[C@H](C)[C@H]2CC1 523041548 LAOQYXNUSDEVJK-RCVKDLFMSA-N 252.354 2.681 0 1 CFAF biogenic Fc1ccc(-n2cc(Cn3cnc4ccccc43)nn2)cc1 473153668 CATDCBRYIYYJAD-UHFFFAOYSA-N 293.305 2.804 0 1 CFAF O=C(NCCCc1ccccc1)n1c(=O)oc2ccccc21 653790208 QOXAWFVYIBPGFM-UHFFFAOYSA-N 296.326 2.785 0 1 CFAF COc1ccc([C@@H](O)[C@H](C)c2nc3cnccc3[nH]2)cc1 587935203 HCSXHBRUDCDGMA-BONVTDFDSA-N 283.331 2.804 0 1 CFAF C[C@@H](F)[C@H](N)c1nc2ccc(F)c(Br)c2[nH]1 587125561 SHBXEVLHASCPAR-VHWMUFPASA-N 290.111 2.822 0 1 CFAF Cn1cc(-c2nc3ccnc(O)c3[nH]2)c(C(F)(F)F)c1 587115695 XCOVLDWQYZHOBD-UHFFFAOYSA-N 282.225 2.688 0 1 CFAF CCCn1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587430013 CQVKMKALHJFUHV-DYVFJYSZSA-N 298.342 2.790 0 1 CFAF COC(=O)C[C@H](C)Cc1nc2ccc3ncccc3c2[nH]1 587784836 JYKUBZXJFKLSKB-SNVBAGLBSA-N 283.331 2.853 0 1 CFAF C[C@H](CO)c1ccc2c(c1)C(=O)c1ccccc1CO2 169318600 UCVZPCXWFOJWTC-LLVKDONJSA-N 268.312 2.906 0 1 CFAF COc1cccc(-c2csc3ncnc(NN)c23)c1 958066025 WBLYDZAKDDTGRW-UHFFFAOYSA-N 272.333 2.653 0 1 CFAF Cc1c(F)ccc2c1[C@](c1cccs1)([C@H](C)O)NCC2 962300796 QFJCCYSOAIXGSD-MEDUHNTESA-N 291.391 2.966 0 1 CFAF Oc1ccc(/C=N/c2ccc3c(c2)OCCO3)cc1 576273 ZMWCGEQLRXZTED-MHWRWJLKSA-N 255.273 2.914 0 1 CFAF S=C1Sc2cccc(Cl)c2C2=NCCN12 1857543365 YFMDQWAZZYJLKU-UHFFFAOYSA-N 254.767 2.793 0 1 CFAF Cc1cccc([C@@]23SCCN2C(=O)c2ccccc23)n1 5931318 BRGBZAQYJOQKQK-MRXNPFEDSA-N 282.368 2.794 0 1 CFAF COc1ccc2c(c1)C(N1CCCC1=O)=CC(C)(C)C2=O 13832207 IMHHHDMCGVLHCU-UHFFFAOYSA-N 285.343 2.881 0 1 CFAF CC(=O)c1cc(-c2csc(C=O)c2)c(=O)n2c1CCC2 201485795 GZPUKCLAXSTYQO-UHFFFAOYSA-N 287.340 2.538 0 3 CFAF CC(=O)N1c2ccc(C)cc2-c2ccccc2S1(=O)=O 114667 ZYEWVFMKTAVLKY-UHFFFAOYSA-N 287.340 2.717 0 1 CFAF Cc1nc(NN)c2sc(=S)n(-c3ccccc3)c2n1 2523244 OEKWVUOWVPLBSX-UHFFFAOYSA-N 289.389 2.806 0 1 CFAF C1=C[C@@H]2C[C@@H]3N(CC[C@]34CNc3ccccc34)C[C@@H]2CO1 2356347948 SSEMHSZOXZYLBH-KJWYOANISA-N 282.387 2.604 0 1 CFAF COc1ccc2cccc([C@@H]3C[C@H]3NC(C)=O)c2c1 3974694 DXPRLOUMNJZFPU-JKSUJKDBSA-N 255.317 2.840 0 1 CFAF [O-][n+]1onc(-c2ccccc2F)c1-c1ccccc1F 6567996 RBZYZBFNRUHGCT-UHFFFAOYSA-N 274.226 2.920 0 1 CFAF O=C1O[C@@H]([C@@H](O)c2ccccc2)C(O)=C1c1ccccc1 103098800 PWQJRZHJZLRVSD-HOCLYGCPSA-N 282.295 2.615 0 1 CFAF CC(=CCC(=O)O)C1=C(C)CC[C@@H]2[C@H](C)C(=O)O[C@H]12 2356486265 LNBKWSRIIRUARI-WDMOLILDSA-N 264.321 2.695 0 1 CFAF Oc1cc(Cc2c(F)cccc2F)nc(-n2cccc2)n1 28866189 ORIRWMJXPQWWNV-UHFFFAOYSA-N 287.269 2.842 0 1 CFAF COc1ccc(-c2c(CO)oc3cc(O)ccc3c2=O)cc1 66078327 LFBBXTZQLQGGKZ-UHFFFAOYSA-N 298.294 2.667 0 1 CFAF Cc1ccccc1[C@H]1N(c2nccs2)C(=O)[C@@H]2CCCN21 36385556 QLCVVLDQCWMGQX-UONOGXRCSA-N 299.399 2.961 0 3 CFAF O=C1CCNC[C@H]1C(c1ccccc1)c1ccccc1 72106698 QQIYQMLCWKSFDN-MRXNPFEDSA-N 265.356 2.997 0 1 CFAF CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1ccc(O)cc1C 40972690 CGROONDICFFSDT-ROUUACIJSA-N 299.370 2.939 0 1 CFAF O=C(CCc1ccccc1)CC(=O)NCc1ccccc1 1911580234 WDDMVAJRPZWWHE-UHFFFAOYSA-N 281.355 2.895 0 1 CFAF O=c1oc2ccc(O)cc2cc1-c1cccc(O)c1 40899827 YAAMYAWUZOUFBP-UHFFFAOYSA-N 254.241 2.871 0 1 CFAF CC1=C[C@@H](c2ccccc2)N=C(n2cc(C)c(C)n2)N1 45283802 QMTQSPMSNQHEHM-HNNXBMFYSA-N 266.348 2.952 0 1 CFAF CCCCCC[C@@H]([C@H](C)O)n1cnc(C(=O)OCC)c1 40828487 BUIINKWOKBENCT-JSGCOSHPSA-N 282.384 2.952 0 1 CFAF CCc1c(-c2ccc(Cl)cc2)[nH]c(=O)c(C(=O)O)c1O 142846451 YHKCNPZXCXZJOL-UHFFFAOYSA-N 293.706 2.662 0 1 CFAF COc1cncc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c12 587115386 MKVCJUFKIHHLFT-UHFFFAOYSA-N 296.252 2.991 0 1 CFAF Nc1ccccc1-c1[nH]c2cccc(F)c2c1[C@@H](N)C(=O)O 587635526 JLCBIHQQRMNESQ-CQSZACIVSA-N 299.305 2.641 0 1 CFAF CCCc1c(O)ccc2c1O[C@](C)(CCCO)CC2=O 587492766 YLUWINQNCQQRJV-MRXNPFEDSA-N 278.348 2.841 0 1 CFAF CCc1nn(C)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587390829 JIBNCJLKPMOSMH-OAHLLOKOSA-N 285.347 2.580 0 1 CFAF Cc1nc(C2CC2)sc1-c1nc2cccc(C(N)=O)c2[nH]1 587011824 LBHFCOILJQOZRA-UHFFFAOYSA-N 298.371 2.971 0 1 CFAF COc1cc(Cl)ccc1-c1nc2c(N)ccnc2[nH]1 587066857 UHIJHSLXULCEQC-UHFFFAOYSA-N 274.711 2.869 0 1 CFAF CCCc1c(O)ccc2c1O[C@](C1CC1)([C@@H](C)O)CC2=O 587491853 WILWCAXIFKQXCC-QGHHPUGFSA-N 290.359 2.840 0 1 CFAF COc1cncc(N)c1-c1nc2c(C)c(F)ccc2[nH]1 587252834 PIQVAZCTJKZSQR-UHFFFAOYSA-N 272.283 2.663 0 1 CFAF Oc1nc(O)c2ccc([C@H]3C[C@@H]3c3cccs3)nc2n1 587563385 GUSCRCCJRXIUEA-IUCAKERBSA-N 285.328 2.769 0 1 CFAF Nc1cc(C(=O)O)cc(-c2nc3ccc(F)c(F)c3[nH]2)c1 587249158 IGCVHMJURZESQB-UHFFFAOYSA-N 289.241 2.789 0 1 CFAF Oc1ncnc2[nH]c([C@H]3C[C@H]3c3cccc(F)c3F)nc12 587151353 HIPHINDADNSAHB-YUMQZZPRSA-N 288.257 2.608 0 1 CFAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cnncc2[nH]1 587148573 CIMBHFOOZXALHN-ZETCQYMHSA-N 276.246 2.771 0 1 CFAF C[C@@]1(C(F)(F)F)OC(=O)N(C2CCCCC2)C1=O 13804171 DWWPBAMWRLMDDY-SNVBAGLBSA-N 265.231 2.619 0 1 CFAF O=C1C[C@@H]2CCN3C(=O)CCC[C@H]([C@@H]1Cc1ccccc1)[C@H]23 13813557 QTFQVSWZLQAFPF-RCJHGTSTSA-N 297.398 2.835 0 3 CFAF COc1ccc2c(c1)c(/C=C1\SC(=O)NC1=O)cn2C 1857634351 JMLUECUVEMXFOZ-XGICHPGQSA-N 288.328 2.511 0 1 CFAF COc1cc(-c2cccnc2)cc2ccc(=O)[nH]c12 26493493 ZPTZQTAFEXYLSH-UHFFFAOYSA-N 252.273 2.599 0 1 CFAF O=c1oc2ccc(Cl)cc2n1CCc1ccncc1 5393 LILMJEYMXOOQFY-UHFFFAOYSA-N 274.707 2.886 0 1 CFAF COc1ccc([C@]2(CC(C)C)CCNC2)cc1OC 1859833 IJPVLZBIZWUIEY-INIZCTEOSA-N 263.381 2.981 0 1 CFAF NNc1cc(Cl)nc(SCc2ccccc2)n1 6580423 PTACZYKVFNDEHZ-UHFFFAOYSA-N 266.757 2.708 0 1 CFAF C[C@H](CO)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 82083123 UUYZMPGHDXENHD-LLVKDONJSA-N 296.326 2.605 0 1 CFAF CC(C)CN(C(=O)c1cccc(Cl)c1F)[C@@H]1CCNC1 137355227 UWLXWGKTAMTBSF-LLVKDONJSA-N 298.789 2.939 0 1 CFAF in-vitro Cc1ccc(-c2ccc(Cn3ccnc3)cn2)cc1N 84632734 QBKHQFWUGYDJIC-UHFFFAOYSA-N 264.332 2.884 0 1 CFAF Oc1nc(=S)[nH]c2c(-c3ccc(Cl)cc3)cnn12 96922737 YVEBBPQBQQCCAI-UHFFFAOYSA-N 278.724 2.813 0 1 CFAF C[C@H](O)Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586890638 LGGUSNBTYVNEMR-YFKPBYRVSA-N 262.206 2.644 0 1 CFAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(C(=O)O)c(F)cc2[nH]1 587963631 PMJVVTKJZAOUMY-YUMQZZPRSA-N 290.294 2.558 0 1 CFAF Cc1ccnc2[nH]c([C@H](C)Sc3ncccn3)nc12 586962774 ALHDXPNMMLITOI-VIFPVBQESA-N 271.349 2.910 0 1 CFAF N=c1[nH]ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c12 587042754 LTKPWEJSAKVCKO-NSHDSACASA-N 268.345 2.760 0 1 CFAF Cc1nccc2[nH]c([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc12 586888957 ZFVZQFKBAGZITA-GRYCIOLGSA-N 267.332 2.905 0 1 CFAF CCOC(=O)Cc1ccc2nc([C@@H](O)CC(C)C)[nH]c2c1 586901095 OTDAHNGNPGHEFD-AWEZNQCLSA-N 290.363 2.748 0 1 CFAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccn1 587394037 PUSPOLQXUKXKQB-AWEZNQCLSA-N 284.315 2.687 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(C=COC1(C)C)[C@@H](C2)C3=O 587455446 MQYPXEPMWATYTJ-ZBEGNZNMSA-N 272.300 2.504 0 1 CFAF Cc1ccc(/C=C\c2ccc3c(O)nc(O)nc3n2)cc1 587560486 CJXQXLREIABMQJ-SREVYHEPSA-N 279.299 2.915 0 1 CFAF O=C1C[C@]2(CCNC[C@H]2F)Oc2c1ccc1c2CCCC1 587508753 QHGVXJLSTZJGGH-WBVHZDCISA-N 289.350 2.601 0 1 CFAF OCc1ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c1 587173265 AUBOVZKCHFFEJE-OAHLLOKOSA-N 284.290 2.871 0 1 CFAF COC(=O)c1cn(C/C=C(/C)CCC=C(C)C)nn1 1857654807 RPCNHOFRPNYGQT-WQLSENKSSA-N 263.341 2.757 0 1 CFAF CCN1c2ncccc2-c2nnc(C)n2-c2c(C)ccnc21 5841693 WYTLEYPPMCNPJZ-UHFFFAOYSA-N 292.346 2.813 0 1 CFAF Cc1sc(C)c2[nH]c([S@@](=O)Cc3ccccn3)nc12 13448842 FBIPPBCKKOXCIG-LJQANCHMSA-N 291.401 2.944 0 1 CFAF COc1cccc(-c2[nH]c(=O)c3ccccc3c2O)c1 13817094 MWZMXFPROKZBGO-UHFFFAOYSA-N 267.284 2.909 0 1 CFAF C[C@@H]1CN(C)c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2O1 14967293 SCCOVQTYXODQJX-SSDOTTSWSA-N 298.264 2.764 0 1 CFAF CO[C@@H]1O[C@H]2C[C@@H]1C(CO)=C1CC(C)(C)C[C@@H]1[C@H]2C 209670146 YICABYFSQXURPV-VIDBKGRSSA-N 266.381 2.739 0 1 CFAF CC(C)(O)c1ccc(C(=O)[C@H]2CN3CCC2CC3)s1 350970 XQWPUBSBYKZVGN-NSHDSACASA-N 279.405 2.500 0 1 CFAF Cc1nnc(NC(=O)CSC2CCCCC2)s1 6479883 WJJSOEHJHLFZKK-UHFFFAOYSA-N 271.411 2.851 0 3 CFAF CON(C(N)=O)[C@H](C)c1cc2ccccc2s1 29571291 MNGPWAAOUIVKIS-MRVPVSSYSA-N 250.323 2.904 0 1 CFAF CCCC(=O)NCCc1c[nH]c2c(C)cc(OC)cc12 28815138 KNBHYERXCSUCDJ-UHFFFAOYSA-N 274.364 2.944 0 1 CFAF CC(=C[C@H](C)C[C@H](C)C(=O)O)[C@@H]1CC[C@@](C)([C@H](C)O)O1 2356631421 BVFQDPRIMUDOQZ-XZHFZGJDSA-N 284.396 2.998 0 1 CFAF O=C1OCC(Cc2ccc(O)cc2)=C1c1ccc(O)cc1 66080192 ULAOSFXVLZDDJW-UHFFFAOYSA-N 282.295 2.651 0 1 CFAF in-vitro c1c2c(cc3c1OCO3)[C@]13CCCC[C@H]1N(CC3)C2 32266248 BTBHTKZYHPDQSN-HZPDHXFCSA-N 257.333 2.815 0 1 CFAF in-vitro C[C@@H]1C(=O)O[C@@H]2[C@H]3[C@](C)(O)CCC[C@]3(C)CC[C@H]12 40916409 JVVPNUMNEHBXGD-NMAMFNKQSA-N 252.354 2.515 0 1 CFAF O=C1C2=Nc3ncccc3CN2c2ccc(Cl)cc21 95601818 FFZBEQNGDXCIDD-UHFFFAOYSA-N 269.691 2.982 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cscn1)[C@@H](C2)C3=O 587454573 YVVNUSJGBUCQPM-LKFCYVNXSA-N 273.313 2.640 0 1 CFAF Cc1nn(C)cc1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874852 DKLFWNKCWXYWTI-UHFFFAOYSA-N 298.277 2.525 0 1 CFAF COC(OC)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587525929 WPRUEGVXCUCPLC-CQSZACIVSA-N 276.332 2.518 0 1 CFAF N=c1[nH]ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 587151986 JIMKCRWKXCQAIG-IUCAKERBSA-N 286.285 2.920 0 1 CFAF Cc1cc(Cl)cc2c(N)c(CCC(=O)O)[nH]c12 587627447 WSKWEXBJIKVXSI-UHFFFAOYSA-N 252.701 2.729 0 1 CFAF N=c1[nH]ccc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c12 587139141 XPUCXONGKIJRLX-UHFFFAOYSA-N 292.264 2.573 0 1 CFAF Cc1cc(CCc2nc3ccccc3o2)c(=O)[nH]c1C 5891920 VAZJLRKZTHLQMK-UHFFFAOYSA-N 268.316 2.918 0 1 CFAF O=C(N[C@H]1CN2CCC1CC2)c1ccc(C(F)(F)F)cc1 13608971 WUAYIMJJGBSBLD-ZDUSSCGKSA-N 298.308 2.529 0 1 CFAF Cc1ccc(-c2cncc(C(=O)[C@H]3CCN(C)C3=O)c2)cc1 205747594 BBQLZEVUFAEUTL-MRXNPFEDSA-N 294.354 2.718 0 1 CFAF CC1(C)C(=O)N[C@H](c2ccc(N)cc2)c2ccccc21 3601003 HFEQWUAVFWWXOQ-OAHLLOKOSA-N 266.344 2.766 0 1 CFAF O=Cc1c[nH]c2ccc3c(c12)C[C@@H](N1CCCC1)CC3 13741771 JPRFHSQJEMXCKR-AWEZNQCLSA-N 268.360 2.934 0 1 CFAF c1ccn2cc(-c3ccc(C4=NCCCN4)cc3)nc2c1 387395 IXBWENJZKYNDIL-UHFFFAOYSA-N 276.343 2.741 0 1 CFAF O=c1[nH]c(-c2ccc3c(c2)OCO3)cn1-c1ccccc1 2461883 OVMVYZNCWCVAFP-UHFFFAOYSA-N 280.283 2.561 0 1 CFAF Cc1nnc(NC(=O)c2ccc3ccccc3c2)o1 3476879 FFQOWPRCENHZOP-UHFFFAOYSA-N 253.261 2.784 0 3 CFAF COc1ccc(Cc2nc3c(O)cccc3[nH]2)cc1 26276530 XVRTUYLYEVFNRO-UHFFFAOYSA-N 254.289 2.868 0 1 CFAF COc1cccc(-c2cnc3nc(C(F)(F)F)ccn23)n1 28570241 XGMPKZHPHLEVGE-UHFFFAOYSA-N 294.236 2.819 0 1 CFAF COC(=O)[C@]12CC[C@H](C)[C@@]1(C)Cc1occc1C2=O 2356548885 IRBVJXQACAWUON-TZTCFGBESA-N 262.305 2.614 0 1 CFAF C[C@@H]1C[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1 40567454 PQJJJIPGQCKGDU-ZYHUDNBSSA-N 294.347 2.511 0 1 CFAF biogenic,in-vitro C[C@@H]1Cc2cc3c(C(F)(F)F)cc(=O)n(C)c3cc2N1 49925452 LXIKDZVYNYTHCI-SSDOTTSWSA-N 282.265 2.914 0 1 CFAF CO[C@@]12C=C[C@H](CC1)[C@H]1C(=O)c3c(C)c(C)n(C)c3C(=O)[C@@H]12 195483310 NDTURTFDFKXIBS-OPWYMKIUSA-N 299.370 2.618 0 1 CFAF O=C(Nc1ccc(F)cc1Cl)c1n[nH]cc1F 43152971 OUTKIMDROHEBAR-UHFFFAOYSA-N 257.627 2.594 0 1 CFAF CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H]2CCN3CCCC[C@H]1[C@@H]23 238751815 ROIHYOJMCBKEER-QGRVMZGNSA-N 277.408 2.695 0 1 CFAF NCCSCCCc1c[nH]c2ccc(F)cc12 95603670 IMWXQBHCDQKRPJ-UHFFFAOYSA-N 252.358 2.932 0 1 CFAF CS(=O)(=O)Nc1ccc(-c2ccncc2)c2cccnc12 473165284 AYWKFWZEWGIUDG-UHFFFAOYSA-N 299.355 2.668 0 1 CFAF CCC[C@@H](CC)OC(=O)NCCCn1ccnc1 653840638 UMZRWBUTHFUTDI-GFCCVEGCSA-N 253.346 2.578 0 1 CFAF Nc1cncc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 587254602 RICQXIWGMCGQRY-UHFFFAOYSA-N 282.200 2.764 0 1 CFAF Cc1ccccc1C(C)(C)c1nc2cnnc(O)c2[nH]1 587954622 CCSBEDKANKCUJI-UHFFFAOYSA-N 268.320 2.693 0 1 CFAF [O-][n+]1ccccc1SCc1nc2cc(F)c(F)cc2[nH]1 586969838 OUQNKUYJUPHHAR-UHFFFAOYSA-N 293.298 2.767 0 1 CFAF Oc1nc(S)nc2[nH]c(-c3cc4c(s3)CCC4)nc12 587037812 YSUKCJDOVLZINB-UHFFFAOYSA-N 290.373 2.564 0 1 CFAF Oc1cccc([C@@H](O)c2nc3cc(F)c(F)cc3[nH]2)c1 586892556 RSYHBAFKUPOIDE-CYBMUJFWSA-N 276.242 2.628 0 1 CFAF COc1cc([C@H]2O[C@H](OC)[C@H](C)[C@H]2C)cc(OC)c1O 685935965 TUWUTXXFNYPXGV-LQNCWFGHSA-N 282.336 2.725 0 1 CFAF biogenic,in-vitro COc1cccc2c3c(cnc12)CCNC31CC=CC1 963063087 ZCOATGKCKMSCEM-UHFFFAOYSA-N 266.344 2.934 0 1 CFAF Cc1cccc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c1 962898863 MPWQYXPNJVVQJR-HOCLYGCPSA-N 285.318 2.822 0 1 CFAF CC(C)(N)[C@]1(c2ccccc2)NCCc2ccc(O)cc21 963344134 ZCFZGMZNCPRLTD-GOSISDBHSA-N 282.387 2.519 0 1 CFAF O=C(O)c1ccnc(-n2nccc2-c2ccc(F)cc2)c1 146839753 MYIZAYXMTDPUHW-UHFFFAOYSA-N 283.262 2.772 0 1 CFAF Nc1cccc([C@@]23SCCN2C(=O)c2ccccc23)c1 5939518 OSSPYALNBGOJSE-INIZCTEOSA-N 282.368 2.673 0 1 CFAF O=c1cc(-c2ccccc2O)oc2c(O)cccc12 13322136 JDYIVENBODOXQO-UHFFFAOYSA-N 254.241 2.871 0 1 CFAF O=c1ccc2ccc(CNCCOc3ccccc3)cc2o1 13800776 SKMZPYFUIDSDIG-UHFFFAOYSA-N 295.338 2.962 0 1 CFAF C[C@H](NC(=O)c1ccc(Cl)cc1)c1n[nH]c(=S)o1 103215672 RGFVOPDRJKMJJX-LURJTMIESA-N 283.740 2.877 0 1 CFAF CCN(C(=O)[C@@]1(c2ccccc2)C[C@@H]1CN)c1ccccc1 29128246 MHSMLXPGKSUMMH-VQIMIIECSA-N 294.398 2.956 0 1 CFAF O=C1[C@@H]2CCCN2[C@H](c2cccs2)N1c1ccccn1 104208671 KBAFYBYYCFHCON-FZMZJTMJSA-N 285.372 2.653 0 3 CFAF COc1ccc([C@H]2CCNC2=O)cc1OC1CCCC1 27406535 UOKUYZMGZUKXLD-CYBMUJFWSA-N 275.348 2.620 0 1 CFAF O=C(Cc1cccnc1)c1cc2cc(O)ccc2[nH]1 66102990 YNAHNTANMJCQEL-UHFFFAOYSA-N 252.273 2.694 0 1 CFAF O=c1c(Br)ccccc1Br 32257276 JJYARWBTLIGSMO-UHFFFAOYSA-N 263.916 2.572 0 1 CFAF CC(=O)OCc1ccc(-c2nn(C)c3ccccc23)o1 73199133 GTAAMMZEUOBZJH-UHFFFAOYSA-N 270.288 2.896 0 1 CFAF O=C(Nc1ncc(F)s1)[C@H](c1ccccn1)C1CC1 45353581 XUIIOJNVARHYNM-NSHDSACASA-N 277.324 2.810 0 1 CFAF COc1cc2c(cc1Cl)CCN1C(=O)CC[C@@H]21 95580658 NACDKALMZBXZAV-NSHDSACASA-N 251.713 2.568 0 1 CFAF Nc1cccc(-c2nnc(-c3ccc(O)cc3O)s2)c1 95586638 OUYOREWJDHTKEJ-UHFFFAOYSA-N 285.328 2.866 0 1 CFAF C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(Cl)ncc2[nH]1 587963335 MZUBLALLEMHMAH-SFYZADRCSA-N 263.728 2.769 0 1 CFAF COc1ccc(O)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587401875 ZLRZJUGXDUZUDG-MRXNPFEDSA-N 299.326 2.998 0 1 CFAF O=C(O)/C=C/C=C/c1nc2c(F)c(F)c(F)cc2[nH]1 587966858 DUIQCSZOSNLNFF-ZPUQHVIOSA-N 268.194 2.634 0 1 CFAF CCOC(=O)[C@]1(Cc2ccccc2C)CCCN(C)C1 12588732 JKZSEMGMIMGYNE-KRWDZBQOSA-N 275.392 2.813 0 1 CFAF CC(=O)Oc1cccc([C@H]2CN3CCCC[C@@H]3CO2)c1 169315906 SENYZNMJSULWOI-GDBMZVCRSA-N 275.348 2.538 0 1 CFAF CCCC[C@H](N)[P@@](=O)(O)[C@@H](O)CCc1ccccc1 169331444 KOZNLOGJETUNMK-ZIAGYGMSSA-N 285.324 2.683 0 1 CFAF CCOC(=O)c1cncc(/C=C\c2cc(C)cnc2N)c1 206767820 FWLOCTIGQHEYHT-PLNGDYQASA-N 283.331 2.714 0 1 CFAF CC[C@H](C)[C@@H]1[C@@H](C)[N@]1S(=O)(=O)c1ccc(C)cc1 2356320477 KOUBNLRNADVRIY-MXYBEHONSA-N 267.394 2.803 0 1 CFAF CN1CCC2(CC1)CCN(C(=O)Oc1ccccc1)CC2 3956230 LMZHVQCCLWZZPX-UHFFFAOYSA-N 288.391 2.993 0 1 CFAF Cc1nnn([C@H](CCN(C)C)c2ccc3ccccc3c2)n1 58581145 UIUOSQHTTWIDMR-QGZVFWFLSA-N 295.390 2.676 0 1 CFAF O=C(O)C1=C(C(=O)Oc2ccc(F)c(F)c2F)CCC1 26974750 JZIHZYKJBICBNF-UHFFFAOYSA-N 286.205 2.574 0 1 CFAF CCCSc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1 103693960 ANWHDNMDYTWZFD-UHFFFAOYSA-N 286.360 2.563 0 3 CFAF CC(C)[C@]1(C)OC(NC2C3CC4CC(C3)CC2C4)=NC1=O 28823996 FYPQNECNGUIGML-KAYFFSDASA-N 290.407 2.728 0 1 CFAF O=C(Oc1ccc2ccccc2c1)c1cccc(=O)[nH]1 28969079 FBXFLSBLYSCCKI-UHFFFAOYSA-N 265.268 2.747 0 1 CFAF CC1=C[C@]2(C)[C@H](C)CC=C[C@@]2(CCC(=O)O)OC1=O 2356799447 ULVSTVCBVJUBTL-DFBGVHRSSA-N 264.321 2.695 0 1 CFAF CN(C)CCn1c2c(c3ccccc31)C[C@H](N(C)C)CC2 39214010 HDKDUMNJNQHCRN-CQSZACIVSA-N 285.435 2.622 0 1 CFAF C/C(=C\CC[C@@]1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)O)C(=O)O 31166616 QPVGQZZKAUMQSM-JWLVCLOCSA-N 252.354 2.985 0 1 CFAF CN1C=CN(COCCCc2ccccc2)/C1=C\N=O 221013681 SYVBUHCFIUTJIU-QINSGFPZSA-N 273.336 2.877 0 1 CFAF COc1ccc([C@@H]2NC(=O)c3c(C)cc(C)nc3N2)cc1 40455001 OUJAFULLCYQRDY-AWEZNQCLSA-N 283.331 2.561 0 1 CFAF Cc1ncsc1[C@H](c1ccccc1)n1ccnn1 95557047 SBSDBRZSVWGFOM-LBPRGKRZSA-N 256.334 2.681 0 1 CFAF CCCc1nn(C)c2c(O)nc(/C=C/c3ccco3)nc12 299861749 LYVJNPZTXRVPHN-BQYQJAHWSA-N 284.319 2.785 0 1 CFAF CCn1cc(-c2csc(N)n2)c(=O)c2cccc(F)c21 653884677 XZOQNGFDRIHSGR-UHFFFAOYSA-N 289.335 2.866 0 1 CFAF C[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602945 LRKDEKBIHCKSHE-RNCFNFMXSA-N 256.257 2.742 0 1 CFAF Cc1cc2nc(-c3c(N)cccc3O)[nH]c2cc1F 587249849 KTJWSZLOAKMUHZ-UHFFFAOYSA-N 257.268 2.965 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1O)O2 587403344 GWZKPCPBALVGII-HNNXBMFYSA-N 269.300 2.989 0 1 CFAF COc1cncc2nc(COc3ccc(F)cc3)[nH]c12 587169057 RLTURLOMZNVRMH-UHFFFAOYSA-N 273.267 2.685 0 1 CFAF COc1cc2c3c(c1)O[C@](C)([C@@]1(C)CCCO1)[C@@H](C2)C3=O 587455935 RBEJPLKBMREUCW-VUCTXSBTSA-N 288.343 2.770 0 1 CFAF O=c1cc(-c2ccc3c(c2)OCO3)[nH]c2ccccc12 15263550 XZLHQSQFBBOXIY-UHFFFAOYSA-N 265.268 2.924 0 1 CFAF CN(C)C[C@@H](O)[C@H](c1ccccc1)c1ccc(F)cc1 39245442 BOOFCMWAWAGGRA-IAGOWNOFSA-N 273.351 2.880 0 1 CFAF Cc1coc2c1[C@@H]1OC(=O)C3=CCC[C@H](C2=O)[C@]31C 2356449508 PJONERLFBPPJEL-ZBVHDKTDSA-N 258.273 2.725 0 1 CFAF CCc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)OC)N3C)cc1 100802081 UAMCGXVVAUEEEU-VQHPVUNQSA-N 287.403 2.988 0 1 CFAF CC1(C)CN=C2NN=C(CCC3CCCCC3)N2C1 73198510 CCGJJYXKIYEKPU-UHFFFAOYSA-N 262.401 2.961 0 1 CFAF Cc1ccc([C@H]2N(c3cc(C)on3)C(=O)[C@@H]3CCCN32)cc1 75403051 KKRZRZAJAVDEEL-GOEBONIOSA-N 297.358 2.801 0 3 CFAF C[C@@]1(CO)Cc2ccccc2C(=O)N1c1ccccc1 72178533 MVUSOTSFFHMLDG-KRWDZBQOSA-N 267.328 2.641 0 1 CFAF CN1C(=N)[C@@](O)(Cc2ccccc2)c2ccccc21 3156334 OGZSAABVOPJAHY-MRXNPFEDSA-N 252.317 2.544 0 1 CFAF biogenic Cc1cccc2[nH]c(-c3cc(-c4cn[nH]c4)cnc3N)nc12 45191980 GLDUBSWQFPLLLX-UHFFFAOYSA-N 290.330 2.906 0 1 CFAF Oc1c(-c2nc3cnccc3[nH]2)n[nH]c1-c1ccccc1 40762504 CYKMZFPHUGYWDR-UHFFFAOYSA-N 277.287 2.721 0 1 CFAF C[C@@H](O)Cc1nsc(Nc2ccccc2Cl)n1 82051817 ALQXDCNDRVVNQF-SSDOTTSWSA-N 269.757 2.858 0 1 CFAF CSc1nc(NCCCCCO)c2ccccc2n1 82148929 GNVLKWAICJGWHM-UHFFFAOYSA-N 277.393 2.926 0 1 CFAF CC1=N/C(=C/c2ccccc2O)C(=O)N1Cc1ccncc1 84602877 RCVALVHGOXOHCE-XNTDXEJSSA-N 293.326 2.589 0 1 CFAF Cc1cc([C@H]2C[C@H](O)c3c(O)cc(O)cc3O2)ccc1O 238738765 VSTNKEFYHIVZJZ-UONOGXRCSA-N 288.299 2.669 0 1 CFAF COc1cc2c(cc1OC)[C@@H]1[C@@H](CCCN1C(C)=O)C2 299829368 JLHICCFTKKWGMM-ZBEGNZNMSA-N 275.348 2.560 0 1 CFAF CC1(C)CCC[C@]2(C)C3=CC(=O)O[C@]3(C)CC[C@@]12O 473091687 RGNAYUCPYVQDGI-BZUAXINKSA-N 264.365 2.970 0 1 CFAF C[C@H](Oc1ccc(F)cc1)c1nc2cc(=N)[nH]cc2[nH]1 587169519 YEXOIWPLTYPHEW-QMMMGPOBSA-N 272.283 2.650 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1ccns1)[C@@H](C2)C3=O 587450049 DCLLHAGILVTORN-BONVTDFDSA-N 287.340 2.815 0 1 CFAF Cc1ccc(C)c2[nH]c(C[S@](=O)CC3CC3)nc12 586958436 GFLAZAPGEGXSHC-GOSISDBHSA-N 262.378 2.838 0 1 CFAF C[C@H]1OC=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587535700 NGYSTZDBFBGAMP-ZMZPIMSZSA-N 298.338 2.771 0 1 CFAF Oc1ncnc2[nH]c(CSCc3ccsc3)nc12 587025123 HJVKOSWRPXTHPH-UHFFFAOYSA-N 278.362 2.553 0 1 CFAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccnnc1 587872301 TXKVPVLYMDRRDF-UHFFFAOYSA-N 284.294 2.867 0 1 CFAF COc1cc(C)c(N)c(-c2nc3ccc(CO)cc3[nH]2)c1 587249435 LMQOCPLRZMPEDX-UHFFFAOYSA-N 283.331 2.621 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H](CC(=O)O)C1)O2 587410135 YHFYBXHTRGBUHR-MGPLVRAMSA-N 289.331 2.556 0 1 CFAF C[C@@]12C[C@@H]3C(=O)Nc4ccccc4CN3[C@@H]1CCCCC2=O 1772653205 MNXSHAIUJCRVFJ-IIDMSEBBSA-N 298.386 2.731 0 1 CFAF CN1CCN(c2cc(-c3cccs3)nc(Cl)n2)CC1 13808381 HSGICEXNSRFMPT-UHFFFAOYSA-N 294.811 2.610 0 1 CFAF COC[C@]1(O)[C@H](CO)[C@H]2CC[C@@]1(C)[C@]2(C)C1CCCC1 2356468873 TXHFBRWHXQLYEB-UUAJXVIYSA-N 282.424 2.599 0 1 CFAF N=C(N)c1ccc2oc(-c3ccc(N)cc3)cc2c1 1844864 JFAQOOBELVSFLA-UHFFFAOYSA-N 251.289 2.966 0 1 CFAF CCCCSc1nnc(CSc2ncccn2)n1C 2706027 VRKNQQMJVZUVDL-UHFFFAOYSA-N 295.437 2.790 0 3 CFAF CCOc1ccc(Nc2cc(C)nc3nncn23)cc1 6742933 HBJDIYFPMNVFAZ-UHFFFAOYSA-N 269.308 2.575 0 1 CFAF C[C@@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@@]34C)[C@@H]1CC[C@@H]2O 26395634 DOFRSNSWULWZJS-BMZBVAGSSA-N 289.419 2.645 0 1 CFAF CCn1c(O)cc(=O)nc1SCc1ccc(Cl)cc1 103566847 CMEKPTCFNFOGFH-UHFFFAOYSA-N 296.779 2.915 0 1 CFAF CCOC(=O)C1=C(C)N=C2COC(O)=C2[C@H]1c1ccccc1 101689003 YLDUBLNJUDEUAA-AWEZNQCLSA-N 299.326 2.862 0 1 CFAF CC(C)[C@@H]1CC[C@H](C(=O)O)[C@@H]2CCC(C(=O)O)=C[C@H]12 2356691166 ZOKQSCUWIKMMTB-ZDEQEGDKSA-N 266.337 2.790 0 1 CFAF CCN(CC)CCN[C@@H]1CCc2[nH]c3ccccc3c2C1 39214005 TZTDKXLAAVJOEA-CQSZACIVSA-N 285.435 2.957 0 1 CFAF C[C@@H](Cc1ccc(Cc2cccnc2)cc1)C(=O)O 36242134 IHYLMZVUVSRWIM-LBPRGKRZSA-N 255.317 2.936 0 1 CFAF COc1cc(F)ccc1-c1cncc(CNC2CCC2)n1 71340301 OQPJQHPICGWISK-UHFFFAOYSA-N 287.338 2.933 0 1 CFAF CN(C)C(=S)Nc1sc2c(c1C(=O)O)CCCC2 42920674 BYRJZCDCEHAESB-UHFFFAOYSA-N 284.406 2.584 0 1 CFAF COc1ccc2ccc(C(=N)N)cc2c1Oc1cnccn1 43080243 UYKOZAAITGYRPL-UHFFFAOYSA-N 294.314 2.715 0 1 CFAF Cc1cc2c(cc1C)C(=O)[C@@]1(OC(=O)c3ccccc31)O2 95591737 NGVKYIXMNSFOSD-QGZVFWFLSA-N 280.279 2.902 0 1 CFAF CC(C)CC(=O)C[C@]1(C)CC[C@@H]([C@H](C)CCO)O1 257496000 NQUGBBCWSQRMST-SNPRPXQTSA-N 256.386 2.948 0 1 CFAF endogenous,in-man CC(=O)NC1(c2nc3cc(F)cnc3[nH]2)CCC(C)CC1 587233702 AGXANXQPURCVBL-UHFFFAOYSA-N 290.342 2.639 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](c1cc[n+]([O-])cc1)CC2=O 587471245 PBDZYXWRDCYXTI-INIZCTEOSA-N 299.326 2.685 0 1 CFAF Nc1ccnc2[nH]c(-c3ncccc3C(F)(F)F)nc12 587109580 ZJCITCOZURPNLQ-UHFFFAOYSA-N 279.225 2.621 0 1 CFAF Nc1cc(F)c(-c2nc3ccc(F)c(F)c3[nH]2)cc1N 587136685 INMFCYBGCNFPTI-UHFFFAOYSA-N 278.237 2.812 0 1 CFAF Cc1c(F)ccc2nc(Cc3cccnc3N)[nH]c12 587253856 MRDBEEQHYJYANT-UHFFFAOYSA-N 256.284 2.578 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](C1(C(=O)O)CC1)CC2=O 587487564 GKXVSVKBUKZDAI-CYBMUJFWSA-N 290.315 2.543 0 1 CFAF O=C(O)/C=C/C=C\c1nc2c(F)c(F)c(F)cc2[nH]1 587966856 DUIQCSZOSNLNFF-HSFFGMMNSA-N 268.194 2.634 0 1 CFAF C[C@@]1([C@H]2CCCS2)c2ccsc2CCN1C(N)=O 962708014 JJOBQQRBDSXYHL-YPMHNXCESA-N 282.434 2.796 0 1 CFAF O=c1[nH]c2c(O)cccc2c(O)c1-c1ccccc1 6666129 CBNAPEVOCPFHJF-UHFFFAOYSA-N 253.257 2.606 0 1 CFAF COc1ccc(F)cc1-c1nc2c(C3CC3)[nH]n(C)c-2n1 142726282 NVKNRKFRQLQIHC-UHFFFAOYSA-N 286.310 2.940 0 1 CFAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@@H](O)[C@H]2O 12402603 PROQIPRRNZUXQM-WEVKCVHISA-N 288.387 2.580 0 1 CFAF endogenous,in-man S=C(NCCCCc1c[nH]cn1)NC1CCCCC1 13741802 UWFZTDNPEGTXAY-UHFFFAOYSA-N 280.441 2.529 0 1 CFAF CN(C)c1ccnc(N2CCc3ccccc3C2)c1 13488079 NLCMEPOEDTUKDY-UHFFFAOYSA-N 253.349 2.710 0 1 CFAF O=C1CS[C@@H](c2ccccn2)N1c1ccc(Cl)cn1 180213 RBPNUGTXRBYIBX-ZDUSSCGKSA-N 291.763 2.909 0 1 CFAF O=C1[C@H]2CCCC[C@H]2C(=O)N1Nc1cccc(Cl)c1 102220522 USRZXSLHTUVBHK-TXEJJXNPSA-N 278.739 2.842 0 1 CFAF Cc1cccc(/C=C/C(=O)Oc2cc(C)oc(=O)c2)c1 103278578 WHEOHKAFRFNWHL-VOTSOKGWSA-N 270.284 2.875 0 1 CFAF COc1c(C)ccc(CCCCC(=O)O)c1OC 64633598 LLBWHJKXNZPCGO-UHFFFAOYSA-N 252.310 2.810 0 1 CFAF in-vitro CCCCC[C@H](O)/C=C/[C@H]1CCC[C@](O)(CC(=O)O)C1 27561785 WBWCYGPCAAUUOR-XUWCZRAQSA-N 284.396 2.880 0 1 CFAF O=C(O)[C@H](CCCc1cnc[nH]1)Cc1ccccc1 29221439 RYFWGUSHYGUOFJ-CYBMUJFWSA-N 258.321 2.676 0 1 CFAF COc1cc(C=CC=CC(=O)N2CCCCC2)ccc1O 2356713444 IUGIGWWOEYFTDM-UHFFFAOYSA-N 287.359 2.983 0 1 CFAF Cc1cccc(Nc2cnccc2NS(C)(=O)=O)c1 49113210 HHVZVZROMKWNAA-UHFFFAOYSA-N 277.349 2.505 0 1 CFAF N[C@H](c1ccccc1)[P@](=O)(O)[C@H](O)c1ccccc1 49071754 VWAWWJPAKWNSCV-KBPBESRZSA-N 277.260 2.605 0 1 CFAF O=C(CCc1ccccc1)C(=O)NCCc1ccccc1 1911586697 JRCFFCLOAWGFFS-UHFFFAOYSA-N 281.355 2.547 0 1 CFAF CCCOc1cc([C@]2(C)CNC(=O)O2)ccc1CC 84758961 RJBBCRDCCVELAW-HNNXBMFYSA-N 263.337 2.993 0 1 CFAF in-man O=Cc1ccc(-c2ccc(Cn3ccnc3)cn2)s1 84633430 VILVKXGEHAYVOY-UHFFFAOYSA-N 269.329 2.867 0 1 CFAF Cc1ccc(C(=O)O)c(Nc2cc(O)ccc2C(=O)O)c1 238754007 CTEHWXGJKCYRNB-UHFFFAOYSA-N 287.271 2.841 0 1 CFAF Nc1nc2ccccc2c2cc(CCCCO)oc12 96914097 ZYSRAZLYCJDPBZ-UHFFFAOYSA-N 256.305 2.878 0 1 CFAF COc1ccc([C@@H]2C[C@@H](O)[C@H](CC(C)C)CN2)cc1OC 253666752 GWFDJRQWEMAOSK-QLFBSQMISA-N 293.407 2.761 0 1 CFAF COc1nccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc12 587177000 YSMRHJSRLYZQJM-UHFFFAOYSA-N 283.266 2.649 0 1 CFAF Nc1ncnc2nc(-c3ccc(OC4CCC4)cc3)[nH]c12 587951815 SKMIEKJRBSJFTA-UHFFFAOYSA-N 281.319 2.533 0 1 CFAF CC(C)[C@@](C)(O)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586891119 SRHPMPOTZKFXJM-GFCCVEGCSA-N 276.233 2.983 0 1 CFAF Oc1ncnc2[nH]c(-c3ccc(OC4CCC4)cc3)nc12 587951773 QIHKRELSXXZQRH-UHFFFAOYSA-N 282.303 2.657 0 1 CFAF Oc1nncc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c12 587109424 JMEAPXCYOWMVGS-UHFFFAOYSA-N 298.199 2.883 0 1 CFAF COc1cc2c3c(c1)O[C@H](CCc1ccncc1)[C@@H](C2)C3=O 587436340 OCDGQDUODBCWOW-HUUCEWRRSA-N 295.338 2.839 0 1 CFAF Cc1cccnc1-n1ncc2ccc(Cl)cc2c1=O 587652264 ATDMVYBVGPYIHU-UHFFFAOYSA-N 271.707 2.743 0 1 CFAF Cc1cc(F)c2[nH]c(-c3nnn(C)c3C(F)F)nc2c1 587128717 NXPWXQHEGTWBGV-UHFFFAOYSA-N 281.241 2.744 0 1 CFAF COC(=O)c1ccnc2[nH]c(-c3cnc(Cl)s3)nc12 587023294 MPPBZNKTUGSCLJ-UHFFFAOYSA-N 294.723 2.521 0 1 CFAF CCCn1cnc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587389222 GDFYHUMFHIANFP-HNNXBMFYSA-N 285.347 2.890 0 1 CFAF Nc1c(-c2nc3ccnc(O)c3[nH]2)cnc2c(F)cccc12 587176825 UJDSIEAYFWNGTE-UHFFFAOYSA-N 295.277 2.600 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1cc(C)ns1)[C@@H](C2)C3=O 587453115 QCNAWNWECATHAM-BONVTDFDSA-N 287.340 2.949 0 1 CFAF Fc1ccc2c(c1)C[C@H](c1nc3nc(Cl)c[nH]c-3n1)O2 587175069 VWXDUHSKMOTZGM-SECBINFHSA-N 290.685 2.773 0 1 CFAF Nc1c(CC(=O)O)cccc1[C@H](O)c1ccc(Cl)cc1 26379891 VUMFVUKYSQDAJD-OAHLLOKOSA-N 291.734 2.631 0 1 CFAF CC(C)N1C(=O)c2ccccc2[C@@H]1C(=O)NC1CCCC1 218476 WGISKBIMDFNMRE-OAHLLOKOSA-N 286.375 2.651 0 1 CFAF COC(=O)C=C(C)CCC=C(C)CC[C@H](O)C(C)(C)O 2356387216 MBJDYYPZJXVUHJ-AWEZNQCLSA-N 284.396 2.744 0 1 CFAF O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1CCC1=CCCCC1 4124564 IBFHJIIKIQBQFW-NMWPEEMBSA-N 271.360 2.684 0 1 CFAF Cc1ccccc1-c1cncnc1NCCc1cnc[nH]1 4239486 BSCARCSGTYRBLA-UHFFFAOYSA-N 279.347 2.830 0 1 CFAF COc1oc(CCCCC(C)(C)O)c(C)c(=O)c1C 58569106 UDDMACGTYAJQRE-UHFFFAOYSA-N 268.353 2.749 0 1 CFAF O=C(N[C@@H]1CN2CCC1CC2)c1cc2ccccc2s1 28521323 SSOHJAKQLOENEM-CYBMUJFWSA-N 286.400 2.725 0 1 CFAF COC(=O)C=CC=CC=CC=CC=CC=CC(=O)OC 2356400632 FEEYFHHPQRBHGK-UHFFFAOYSA-N 274.316 2.670 0 1 CFAF CC(=O)OCC(C)=CC[C@H](O)C(C)=CCCC(C)=CCO 2356653876 STABTSMVMWIOSJ-KRWDZBQOSA-N 296.407 2.912 0 1 CFAF CO[C@@](C)(/C=C/[C@H](O)C(C)C)[C@H]1CC[C@](C)(NC=O)CC1 238737634 GWYOMVLIZRMWIS-ICZQKXFSSA-N 297.439 2.660 0 1 CFAF Cc1ccnc2[nH]c([C@H]3C[C@H](O)c4ccccc43)nc12 586900128 ACXFBWGUMCLHPF-STQMWFEESA-N 265.316 2.835 0 1 CFAF N=C(N)c1ccc2nc(/C=C\c3ccc(N)cc3)[nH]c2c1 587251982 SPNJYRKCZAPUOG-BAQGIRSFSA-N 277.331 2.600 0 1 CFAF O=C1O/C(=C\c2nc3ccc(O)cc3[nH]2)c2ccccc21 586905775 BQVCMVQLHFEYPO-ZSOIEALJSA-N 278.267 2.937 0 1 CFAF Cc1c(Cl)ccc2nc(/C=C/S(C)(=O)=O)[nH]c12 586923301 JFSOEUNBTNKQBN-AATRIKPKSA-N 270.741 2.540 0 1 CFAF Cc1ccc([C@H](C)[C@@H](O)c2nc3c(N)ccnc3[nH]2)cc1 586885360 CBRLPTUIDXXEQR-IINYFYTJSA-N 282.347 2.686 0 1 CFAF 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CC(=O)CC(=O)c1c(C)nn(-c2ccc(Cl)cc2)c1O 5625791 NRUSGBXJSPOOJJ-UHFFFAOYSA-N 292.722 2.702 0 1 CFAF CCCCCCNC1=NCCN1OCc1ccccc1 13539035 BTWBSUBHYYJFDD-UHFFFAOYSA-N 275.396 2.960 0 1 CFAF COC(=O)c1c[nH]c2cc(-c3ccccc3)ccc2c1=O 1857570366 ISPUGEYHRYGAGZ-UHFFFAOYSA-N 279.295 2.982 0 1 CFAF CC(C)S(=O)(=O)NCCc1ccc(C(C)(C)C)cc1 13835074 PLCMJFLHYDHUBK-UHFFFAOYSA-N 283.437 2.854 0 1 CFAF C[C@@H]1CC(=O)Nc2cc(Cl)ccc2N1C(=O)C1CC1 1636834 SUGROISCIHVAMI-MRVPVSSYSA-N 278.739 2.814 0 1 CFAF CC(=O)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1 4238186 BGTMUUDAXLQBCJ-MRXNPFEDSA-N 258.365 2.525 0 1 CFAF Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1C[C@@H]2CC[C@@H]1C2 100314504 RFRGJYWVOFZOFJ-UPJWGTAASA-N 297.395 2.849 0 1 CFAF Oc1ccc2nc(Cl)n(-c3ccccc3F)c2n1 118266146 OCCVQHNHKKIXPF-UHFFFAOYSA-N 263.659 2.919 0 1 CFAF OCCc1ccc(-c2noc([C@H]3C[C@@H]4C=C[C@H]3C4)n2)cc1 20999836 OMFSKJOTFYMHKA-SNPRPXQTSA-N 282.343 2.951 0 1 CFAF Cc1ccccc1COc1cccc2nc(N)nc(N)c12 28971232 KOVMUWLMWNGYEK-UHFFFAOYSA-N 280.331 2.682 0 1 CFAF c1cn(-c2c3cc4c(cc3nc3occc23)OCO4)cn1 29044521 RSLLTFUPFLHVNX-UHFFFAOYSA-N 279.255 2.895 0 1 CFAF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]1CC(=O)[C@H]1CC(=O)CC[C@H]12 2356518114 GFLLGBXXPFKQAI-XQHXRVFBSA-N 292.375 2.842 0 1 CFAF COC(=O)[C@H](C)CCC[C@](C)(O)[C@@H]1CC[C@](C)(O)[C@H]1C 2356793997 HRHABFVVFDETJB-WALBABNVSA-N 286.412 2.514 0 1 CFAF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1CC(C)C 73159529 KUVDQWPXJRGPSZ-MRXNPFEDSA-N 286.375 2.724 0 1 CFAF C=CC1=C(C(=O)NCCC)[C@H](c2ccc(OC)cc2)OC1 73240055 HXAUWHBGUARRQE-INIZCTEOSA-N 287.359 2.775 0 1 CFAF COc1nc(N)nc(Nc2cccc(Cl)c2)c1N=O 95562803 QXABDCHHDYFUFH-UHFFFAOYSA-N 279.687 2.862 0 1 CFAF Cc1c(-c2c[nH]ccc2=N)[nH]c2c(C(=O)O)cccc12 587638705 UCNQBWNFHRHLKA-UHFFFAOYSA-N 267.288 2.649 0 1 CFAF COc1ccc(OC)c(-c2nc3cccnc3[nH]2)c1OC 587925473 BDAPSAOMOKXSRW-UHFFFAOYSA-N 285.303 2.651 0 1 CFAF C[C@H](CCc1nc2cc(Cl)cnc2[nH]1)CC(=O)O 587961048 PASSRCXDYGCIIJ-SSDOTTSWSA-N 267.716 2.655 0 1 CFAF COc1cc(C)ccc1-c1nc2ccc(C(=N)N)cc2[nH]1 587925067 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CFAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cnncc2[nH]1 587928156 WZVZUYNWDBQESS-NSHDSACASA-N 298.346 2.912 0 1 CFAF O[C@H]1CC[C@@H](c2nc3cc4c(cc3[nH]2)OCCCO4)CC1 586896510 NBOUABLWNQOFNO-PHIMTYICSA-N 288.347 2.743 0 1 CFAF Cc1ccc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c2c1 587249070 GIDHZCOFCJMJBA-UHFFFAOYSA-N 267.288 2.819 0 1 CFAF Cc1nonc1[C@@]1(C)c2c(F)cccc2C[C@@H]2CCCN21 963086671 BTCWRXSKPFYBTO-BLLLJJGKSA-N 287.338 2.801 0 1 CFAF O=c1c2c(-c3ccc(Cl)cc3)csc2nc(O)n1O 1857634677 XYODWLVSDUEGOQ-UHFFFAOYSA-N 294.719 2.721 0 1 CFAF O=C(CCc1ccc2c(c1)OCO2)c1ccc(O)cc1 1772634488 FJLCVSAKZYHCTM-UHFFFAOYSA-N 270.284 2.936 0 1 CFAF O=C1/C(=C/c2cccc(F)c2F)N=C2SCCCN12 169324364 VWUUFSORVXGKJO-YFHOEESVSA-N 280.299 2.641 0 1 CFAF Cc1nc2c(c(N(C)c3ccc4c(c3)CCO4)n1)CCC2 1857757233 RIDZJLYBFDMBMD-UHFFFAOYSA-N 281.359 2.977 0 1 CFAF CC(C)C(=O)Nc1sc2c(c1C(N)=O)C[C@H](C)CC2 4071871 OVRPZTFYHOCCNJ-MRVPVSSYSA-N 280.393 2.566 0 1 CFAF Oc1c2nc3ccccc3c-2ncn1CCCn1ccnc1 101260750 PTFNZEWBCJYWHA-UHFFFAOYSA-N 293.330 2.529 0 1 CFAF COc1nn([C@@H](C)c2ccc(CC(C)C)cc2)c(=O)o1 103287213 UOGPGTWNUJZRGE-NSHDSACASA-N 276.336 2.653 0 1 CFAF CC[C@@H]1[C@H]2CCN(C)[C@H]1[C@@H]1c3ccccc3N[C@@H]1[C@H]2CO 2356504383 PDVIEYDJFPUAAG-CXXBXLLHSA-N 286.419 2.533 0 1 CFAF COc1oc(CCCCC[C@@H](C)O)c(C)c(=O)c1C 2356796434 NFNNLXAXXAMXQN-SNVBAGLBSA-N 268.353 2.749 0 1 CFAF COC(=O)C[C@H]1CCC[C@@H](C[C@H](O)c2ccccc2)N1C 33808052 DNCUXQAGJYIKSA-XHSDSOJGSA-N 291.391 2.526 0 1 CFAF COC(=O)C1=CC[C@H]2C(C(=O)OC)=CC[C@@H](C(C)C)C[C@H]12 38228257 PGWDGWLUCSHIJA-XUJVJEKNSA-N 292.375 2.887 0 1 CFAF CC(C)=CCn1cc(C[C@H](N)C(=O)O)c2ccccc21 34396556 GUWIUPRCBWJKFS-AWEZNQCLSA-N 272.348 2.562 0 1 CFAF Nc1nc2ncccn2c1-c1ccc(C(F)(F)F)cc1 95571020 OPJVRRQKIOXFDV-UHFFFAOYSA-N 278.237 2.997 0 3 CFAF COc1cc(C=O)ccc1C1=NO[C@@H](c2ccccn2)C1 96142523 MDETVMGSFKMJIV-MRXNPFEDSA-N 282.299 2.768 0 1 CFAF O=c1nc(-c2ccc(CN3CCCC3)cc2)[nH]c2c1CCC2 621476110 MOBVPUWPMRTCHQ-UHFFFAOYSA-N 295.386 2.521 0 1 CFAF CC(=O)[C@@H]1[C@H](c2ccccc2)[C@@H]2C(C)=NN=C2C[C@@]1(C)O 299887831 ZNLUTICYKJBZGH-QBPKDAKJSA-N 284.359 2.577 0 1 CFAF O=c1nc2n(c3ccccc13)CC/C2=C\N1CCCCC1 653861113 DFTSYBDNBXZCKJ-OUKQBFOZSA-N 281.359 2.627 0 1 CFAF Cc1ccc2nc([C@H](O)C3CCOCC3)[nH]c2c1C 586914033 SEHUGXQYRSXGON-CQSZACIVSA-N 260.337 2.640 0 1 CFAF CCOC(=O)[C@@H](C)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587398986 HDDQZFXGQXPTBY-HWPZZCPQSA-N 291.347 2.500 0 1 CFAF CO[C@H]1CCC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 587404368 WWGGXBXACLWRGH-MEDUHNTESA-N 275.348 2.870 0 1 CFAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cccnc2[nH]1 587175593 UWWRYJDMTCSCDX-GFCCVEGCSA-N 295.321 2.821 0 1 CFAF COc1cc2nc(COC(F)(F)F)[nH]c2cc1F 587122302 BLWAQDUHTYQMOV-UHFFFAOYSA-N 264.178 2.747 0 1 CFAF COc1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)n1 587394487 WFDYUOCEBZFTJS-QGZVFWFLSA-N 298.342 2.861 0 1 CFAF CC1=C(C)O[C@](C)(c2ccc3c(O)nc(O)nc3n2)CC1 587561099 NNTPETUCJRFUPW-HNNXBMFYSA-N 287.319 2.756 0 1 CFAF CCCOc1cccc(Cc2nc3c(N)ccnc3[nH]2)c1 587779207 VUSCWZJMXXWTHU-UHFFFAOYSA-N 282.347 2.920 0 1 CFAF CCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC 14438623 NCERCKOZLFYNNZ-UHFFFAOYSA-N 294.347 2.966 0 1 CFAF O=C(O)Cc1ccc2c(c1)[C@H](O)Cc1ccccc1O2 26012033 NVGVLVNEDRNXDT-CYBMUJFWSA-N 270.284 2.696 0 1 CFAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C[C@@H](O)C2=O 4096683 WPOCIZJTELRQMF-UJHHCITNSA-N 286.371 2.788 0 1 CFAF in-vitro Cc1ccc([C@H]([C@@H]2Cc3ccccc3O2)n2cnnn2)cc1 26182079 KGRHYXLYQFPRRK-DLBZAZTESA-N 292.342 2.575 0 1 CFAF CCN(CC)CCCOc1cc2ccc(=O)oc2cc1O 103262185 SWWJGBMDWPXNFJ-UHFFFAOYSA-N 291.347 2.609 0 1 CFAF CCC[C@H](C)N/C=C1\N=C(c2ccc[nH]2)C=C1OC 58591039 DVLNNWDGFQXJNR-HKLRHMNMSA-N 259.353 2.967 0 1 CFAF c1ccc(NCCCNC[C@@H]2CCc3ccccc3O2)nc1 26579571 BHFRJLAPJAERKC-INIZCTEOSA-N 297.402 2.867 0 1 CFAF CC[C@@]1(C)SC(NC23C[C@@H]4CC2C[C@H](C4)C3)=NC1=O 116642573 NKXZODWCNYSDGW-HXOQIMJPSA-N 278.421 2.953 0 1 CFAF O=C1OC(=Cc2ccc(O)cc2)C(O)=C1c1ccc(O)cc1 2356764673 BNNVVTQUWNGKPH-UHFFFAOYSA-N 296.278 2.965 0 1 CFAF C[C@H](CNS(C)(=O)=O)c1ccc(C(C)(C)C)cc1 33962867 IMGWNMAKEWLAFL-LLVKDONJSA-N 269.410 2.637 0 1 CFAF Cc1cc[n+](C/C=C/CN2C=CC(=CN=O)C=C2)cc1 138311915 XUQUROSJTDNOMQ-NSCUHMNNSA-N 268.340 2.832 0 1 CFAF CC1=C(C(=O)OC(C)C)CN2C(=N1)Nc1ccccc12 1911576161 ULQUDNCAVDIION-UHFFFAOYSA-N 271.320 2.514 0 1 CFAF Cc1cnc(N(C)CCN(C)C)nc1NC1CCCCC1 82201937 XVBPPAHKJIGPJL-UHFFFAOYSA-N 291.443 2.527 0 1 CFAF Oc1ccc(-c2ccc(Cn3ccnc3)cn2)cc1F 84602029 HBUHLNNLQYRDAT-UHFFFAOYSA-N 269.279 2.838 0 1 CFAF O=C1CCC[C@H](c2nc3c(S)nc(S)nc3[nH]2)CC1 586884924 KFMCXHDFLKJEBR-LURJTMIESA-N 294.405 2.547 0 1 CFAF Oc1c(-c2nc3cnncc3[nH]2)ccc2c1CCCC2 586899339 YNFDKHDZITYXJH-UHFFFAOYSA-N 266.304 2.604 0 1 CFAF Cc1ccnc2[nH]c(COc3ccc(F)cc3)nc12 587167869 AJXMQIUSRMAAPB-UHFFFAOYSA-N 257.268 2.984 0 1 CFAF COc1cccc2nc(CCC(=O)c3ccc(N)cc3)[nH]c12 587251417 GOJWEMCOVUCREC-UHFFFAOYSA-N 295.342 2.969 0 1 CFAF c1ccc(C[C@H]2N[C@H](c3nc4cccnc4[nH]3)CS2)cc1 587038701 BIEMXWLWHDYAKZ-KBPBESRZSA-N 296.399 2.904 0 1 CFAF CCOC(=O)c1ccc2nc(C3CC4(COC4)C3)[nH]c2c1 586916143 VXSIZADVWDDWIM-UHFFFAOYSA-N 286.331 2.634 0 1 CFAF Cc1cc(Br)c2[nH]c([C@@H](N)[C@H](C)F)nc2c1 587126225 VTMAGHAXPSFZLJ-RCOVLWMOSA-N 286.148 2.992 0 1 CFAF Cc1ncsc1-c1c[nH]cc1-c1nc2c(N)ccnc2[nH]1 587027811 HNXBLHLOYAWHGX-UHFFFAOYSA-N 296.359 2.967 0 1 CFAF CCN(C)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587369322 FWAOSLXZAVZSQH-UHFFFAOYSA-N 296.330 2.559 0 1 CFAF Cc1c(F)cc(-c2nc3cccc(C(N)=O)c3[nH]2)cc1F 587132648 HEJRRDDXNOWESW-UHFFFAOYSA-N 287.269 2.915 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)nc1)[C@@H](C2)C3=O 587428961 RLVKOBDHWJJHHA-ZBEGNZNMSA-N 285.274 2.718 0 1 CFAF CCCc1c(O)ccc2c1O[C@@](C)(C(C)(C)O)CC2=O 587491926 XKNRFBFMUSLLBK-MRXNPFEDSA-N 278.348 2.840 0 1 CFAF CN(C)C(=O)C[C@@]1(C)c2ccc(F)cc2C[C@H]2CCCN21 963092859 AUDAVUYQHBRJSM-PBHICJAKSA-N 290.382 2.540 0 1 CFAF CCOC(=O)[C@@H](C)[C@@]1(C)NCCc2cc(Cl)ccc21 963390899 OHOBGKKTJVEXLE-MEBBXXQBSA-N 281.783 2.900 0 1 CFAF COc1c(C(N)=S)cccc1-c1ccc(O)cc1 1857617806 RLGWUUBCHWDGGR-UHFFFAOYSA-N 259.330 2.702 0 1 CFAF CN1C(=O)CN=C(c2ccccc2)c2cc(F)ccc21 13651887 IOBJZGKMIIXEGZ-UHFFFAOYSA-N 268.291 2.640 0 1 CFAF COc1cccc(Sc2ccc3nc(N)nc(N)c3c2)c1 32273605 NLXMNJDMCVMCKG-UHFFFAOYSA-N 298.371 2.954 0 1 CFAF CN1N=C(c2ccncc2)O[C@@H]1c1ccccc1F 1643552 XMEPQIBLZBGBTL-CQSZACIVSA-N 257.268 2.543 0 1 CFAF CC(=O)CC[C@@H](C=C[C@](C)(O)CC(C)=O)C(C)C 2356427661 IRHPCGCGDGIOQA-GJZGRUSLSA-N 254.370 2.914 0 1 CFAF O=C(O)[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2OCC[C@H]12 59920323 IDLFKXPQOUGXNN-AVPPRXQKSA-N 287.237 2.662 0 3 CFAF C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(C)C)[C@H]3C=C12 27434995 WPAGROLAQNPWIZ-BFTSITSZSA-N 277.408 2.862 0 1 CFAF CCC[C@H](O)CC(=O)CCc1ccc(OC)c(OC)c1 15257064 BPFHXUQCUSEBSB-ZDUSSCGKSA-N 280.364 2.757 0 1 CFAF CC(=O)OC[C@](C)(O)[C@@H]1C=C[C@](C)(O)CCC=C(C)CC1 2356549122 RTFVWCRRSNVOBR-BBWFWOEESA-N 296.407 2.744 0 1 CFAF COC(=O)c1c(C)nc(Cl)nc1-c1ccccc1 71294854 MPQGYSUWYRMGKN-UHFFFAOYSA-N 262.696 2.892 0 1 CFAF CCCOCCCNC(=S)Nc1cccc(OC)c1 33925094 MHLTZFGKHXIMFN-UHFFFAOYSA-N 282.409 2.798 0 1 CFAF COc1c2c(cc(C=O)c1-c1ccccc1C=O)OCO2 40405407 RDFHYRIFSRVGLA-UHFFFAOYSA-N 284.267 2.716 0 1 CFAF Cc1cccc(C(=O)Oc2cccc3oc(=O)[nH]c23)c1 95601861 KPUXKQLXPIBYHR-UHFFFAOYSA-N 269.256 2.649 0 1 CFAF Fc1cc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)ccn1 473134851 ITCAWABLQWNRDC-RBSFLKMASA-N 269.323 2.891 0 1 CFAF O=C(O)C1(Sc2nccc3ncccc23)CCC1 653799557 CMNOVYSSPZXQRR-UHFFFAOYSA-N 260.318 2.729 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(=O)O)cc1)O2 587406050 DHUVFOGJZZPDHN-HNNXBMFYSA-N 297.310 2.982 0 1 CFAF Nc1cc(-c2nc3cc4c(cc3[nH]2)OCO4)ccc1F 587139389 IIAWKYAEQWKHFG-UHFFFAOYSA-N 271.251 2.680 0 1 CFAF CSc1ccc2nc(-c3c[nH]ccc3=N)[nH]c2c1 587249903 RMONZTKIYAQZHZ-UHFFFAOYSA-N 256.334 2.759 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(O)c(C)c1)O2 587393914 ODSQBNHUUYYZAT-CQSZACIVSA-N 284.315 2.693 0 1 CFAF COC(=O)c1ccc2nc(C=C3CCC3)[nH]c2c1OC 587964793 IBLCEXSDDBYHCI-UHFFFAOYSA-N 272.304 2.925 0 1 CFAF C=C(NC(C)=O)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587203964 RVOOAOMCFSLQAZ-UHFFFAOYSA-N 287.216 2.828 0 1 CFAF Clc1ccccc1NCc1nc2cnncc2[nH]1 587061700 IBXWNLUHBQVNCE-UHFFFAOYSA-N 259.700 2.618 0 1 CFAF CC(C)[C@](C)(O)c1nc2ccc3ncccc3c2[nH]1 586885337 BEFFGQCUKGWWDJ-HNNXBMFYSA-N 255.321 2.975 0 1 CFAF [O-][n+]1ccccc1SCc1nc2cc(F)cc(F)c2[nH]1 586969335 JHLRJBQTLLMTMH-UHFFFAOYSA-N 293.298 2.767 0 1 CFAF COC(=O)C(=O)c1c(-c2ccncc2)[nH]c2cc(F)ccc12 587636853 LYQHFGUNAZSYPJ-UHFFFAOYSA-N 298.273 2.725 0 1 CFAF CCCC[C@@]1(CC(C)=O)NCCc2nc3ccccn3c21 962991997 WKTKWHUHJXRLOM-KRWDZBQOSA-N 285.391 2.845 0 1 CFAF c1cncc(-c2nnc(Cc3nc4ccccc4[nH]3)o2)c1 1772656730 SVFVGWHAKDHRKM-UHFFFAOYSA-N 277.287 2.599 0 1 CFAF COc1ccc2c(c1)C(=O)c1ncc(OC)c3ccnc-2c13 14690477 HJUFYBODTWCHOA-UHFFFAOYSA-N 292.294 2.858 0 1 CFAF CC(C)=CCOc1c2c(cc3oc(=O)ccc13)OCO2 14776120 LVDCFTVFEPEBSA-UHFFFAOYSA-N 274.272 2.867 0 1 CFAF C[C@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1 14814913 GRHSSRUEUOYZIV-PWJLMRLQSA-N 286.283 2.756 0 1 CFAF COc1cc(/C=C/C=C\C(=O)N2CCCCC2)ccc1O 17059221 IUGIGWWOEYFTDM-JHYGWMECSA-N 287.359 2.983 0 1 CFAF O=C(NCCn1ccc(-c2ccccc2)n1)N1CCCCC1 1857606366 AFASFUQUANGQKI-UHFFFAOYSA-N 298.390 2.746 0 1 CFAF Oc1cccc2c1CC[C@H]1NCc3ccccc3[C@@H]21 13740248 ZVYYLBROTSFWHI-WBVHZDCISA-N 251.329 2.942 0 1 CFAF O=C1c2ccccc2CC[C@@H]1[C@@H](O)c1ccccn1 2496971 KMUFRORPXFHGMY-XJKSGUPXSA-N 253.301 2.560 0 3 CFAF Cc1nn(C)c2c1C(c1ccccc1)=NC[C@H]1CCCCN21 28099728 GTVRBDXNWBDDGU-OAHLLOKOSA-N 294.402 2.938 0 1 CFAF O=c1oc2cc(O)ccc2cc1-c1cc(O)cc(O)c1 28563110 RSNNHDKEOIZSOG-UHFFFAOYSA-N 270.240 2.577 0 1 CFAF CCC(=O)N1CC[C@]1(C)C(=O)Nc1cnc2ccccc2c1 61904968 RRYLEIZAGMTLKS-QGZVFWFLSA-N 297.358 2.574 0 3 CFAF Cc1cccc2c1C(=O)N(CCc1cccs1)C2=O 72106129 KGENYTULIBBNAI-UHFFFAOYSA-N 271.341 2.895 0 1 CFAF CN(C)C[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1 45394563 DFPSUOZWGQDKPI-COPLHBTASA-N 285.218 2.642 0 1 CFAF Cc1ccc(-c2cc3n(C)cccc-3c(=O)n2)cc1 263620452 GDYXASJFPBVBDV-UHFFFAOYSA-N 250.301 2.861 0 1 CFAF in-vitro CC(C)(C)[C@H]1CCCc2cc3c(O)nc(O)nc3nc21 587562074 PBTXNLNEKLFWCR-JTQLQIEISA-N 273.336 2.902 0 1 CFAF Cc1cc(Cl)cc2nc(-c3nn(C)c(O)c3F)[nH]c12 587155191 KHRCXKRXALNYBR-UHFFFAOYSA-N 280.690 2.770 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cncc(C)c1)[C@@H](C2)C3=O 587435353 FATWSYBOCIRXSL-GUYCJALGSA-N 281.311 2.887 0 1 CFAF Nc1cc2nc(Cc3c(F)cncc3Cl)[nH]c2cc1N 587176056 KTTQEYNMNGXIOH-UHFFFAOYSA-N 291.717 2.506 0 1 CFAF CC(C)(CO)[C@@H](O)c1nc2cc(Cl)c(F)c(F)c2[nH]1 586901124 PLDQUWIVJWGEMN-JTQLQIEISA-N 290.697 2.546 0 1 CFAF COC(=O)C[C@@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 587399173 JBMUQYBHTBXICD-MRXNPFEDSA-N 291.347 2.500 0 1 CFAF CCOc1cc(-c2cccc(F)c2)nn1Cc1cncnc1 587871924 QABNXNOQCWHHGC-UHFFFAOYSA-N 298.321 2.926 0 1 CFAF CC(C)(C)c1cccc2nc([C@H](O)C(C)(C)CO)[nH]c12 586900638 IDWBPZLHAAYDMB-ZDUSSCGKSA-N 276.380 2.912 0 1 CFAF C[C@@H]1c2nc3nc(O)nc(O)c3cc2[C@H]1c1ccccc1 587561391 HEHHWMGBOFPGFY-QPUJVOFHSA-N 279.299 2.685 0 1 CFAF CCc1cc(NC2CCC(O)CC2)n2nc(C)c(C)c2n1 72447168 SGDXOBBFGZXKGH-UHFFFAOYSA-N 288.395 2.624 0 1 CFAF COc1cc2c(cc1/C=C/C(=O)O)C=CC(C)(C)O2 12153860 KFKMQYCHFDVMKG-SNAWJCMRSA-N 260.289 2.977 0 1 CFAF COC(=O)[C@@H]1[C@@H](Cc2ccccc2)C[C@@H]2CC[C@@H]1N2C 169340217 YHWZJYKIOUHJGH-YHUYYLMFSA-N 273.376 2.501 0 1 CFAF Cc1cccc(NC(=O)c2c(C)nc3ccccn23)n1 928593 GZZPZBJLSKCJRU-UHFFFAOYSA-N 266.304 2.598 0 3 CFAF Oc1cccn(CCn2cc(-c3ccccc3)nn2)c1=S 103256537 ZTZYGFJHFYZACV-UHFFFAOYSA-N 298.371 2.882 0 1 CFAF C1=CC(CSc2cncc(N3CCCNCC3)c2)C=C1 26376064 DKZXIWOTXCJQIO-UHFFFAOYSA-N 287.432 2.716 0 1 CFAF CC(C)N[C@@H](C)[C@@H](O)COc1cccc2occc12 28767708 ZFBWVIDHCPKVMH-AAEUAGOBSA-N 263.337 2.559 0 1 CFAF CCc1ccc(C(=O)Nc2cc(N)ccc2O)cc1 28713950 FUONLGIPFBLUOF-UHFFFAOYSA-N 256.305 2.789 0 1 CFAF Nc1cccc(-c2ccc(Cn3ccnc3)cn2)c1 29130812 XCGVFGSQCALKLR-UHFFFAOYSA-N 250.305 2.576 0 1 CFAF COc1ccc2cc(C=CC(C)(C)O)c(=O)oc2c1 2356535560 COQLYWLVXRALRG-UHFFFAOYSA-N 260.289 2.586 0 1 CFAF O=C(O)C1=C(c2ccccc2)C=C[C@@H]2CCCCN12 2356818842 DXBIYSXQHXOMOK-ZDUSSCGKSA-N 255.317 2.907 0 1 CFAF CC[C@@H]1C=C(C(=O)NCC(C)C)[C@@H]2CCC(=O)[C@@H]2C1 2356827777 IPJCJXBAPHPSRU-YNEHKIRRSA-N 263.381 2.710 0 1 CFAF O=C1CCCC[C@@H]1n1cc(-c2ccc(F)cc2)nn1 66262752 OGSHFJQMRRXKSF-ZDUSSCGKSA-N 259.284 2.768 0 1 CFAF CN1C(=O)[C@]23CCC[C@@H]2C[C@@]1(c1ccccc1)S3 31904795 YTAYZILMDPNPLZ-SNPRPXQTSA-N 259.374 2.987 0 1 CFAF CC(=O)N(Cc1ccc2ccccc2c1)[C@@H]1CCNC1 35837924 DWBBFNBXAKCWFH-QGZVFWFLSA-N 268.360 2.550 0 1 CFAF CCOC[C@@H]1C=C(c2ccc(Br)cc2)C(=O)O1 45392929 JUWFWFCPVIFRHL-NSHDSACASA-N 297.148 2.794 0 1 CFAF C[C@@H](Nc1nccc(N2CCOC2=O)n1)c1ccccc1 142142693 VRCPPSXFONHTQP-LLVKDONJSA-N 284.319 2.606 0 1 CFAF O=C(O)CCCCCCCCC[C@@H](CC(=O)O)C(=O)O 238749977 HTCHLYDQJRKGDD-NSHDSACASA-N 288.340 2.757 0 1 CFAF CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(O)c(N)c1 96934797 HKHPSWPNAPYTEJ-INIZCTEOSA-N 295.342 2.672 0 1 CFAF FC(F)(F)OCc1nc2cc(Br)cnc2[nH]1 587123101 GQFRQKOHPMMZDW-UHFFFAOYSA-N 296.046 2.757 0 1 CFAF O=C(Cc1nc2ccc(O)cc2[nH]1)OCc1ccccc1 587782247 KDXYHMNLNOLRGL-UHFFFAOYSA-N 282.299 2.554 0 1 CFAF O=C1O/C(=C\c2nc3c(Cl)ncnc3[nH]2)c2ccccc21 586906771 QQBWKFMLYKIVGN-UITAMQMPSA-N 298.689 2.675 0 1 CFAF CCc1ccc(OC)c(-c2ccc3c(O)nc(O)nc3n2)c1 587559733 MMGJLQCEPGRORP-UHFFFAOYSA-N 297.314 2.674 0 1 CFAF CCc1ccc(-c2nc3ncnc(N)c3[nH]2)cc1CC 586879394 PADCPARFBBIGKA-UHFFFAOYSA-N 267.336 2.727 0 1 CFAF N[C@@H](c1nc2cccc(OC(F)(F)F)c2[nH]1)C1CC1 587255731 PEPUDYVFJHSUGF-SECBINFHSA-N 271.242 2.871 0 1 CFAF Oc1nncc2nc(-c3cccc(C(F)(F)F)c3)[nH]c12 587113628 QPUCXVMAESOSCP-UHFFFAOYSA-N 280.209 2.744 0 1 CFAF C[C@H](CCC(=O)O)Cc1nc2cc(F)cc(F)c2[nH]1 587963192 QGGVGZSQQFXZLR-SSDOTTSWSA-N 268.263 2.885 0 1 CFAF COc1cc2nc(C[C@H]3CCC(=O)[C@H]3C)[nH]c2cc1OC 587960758 BJACWKOKBUWWER-VHSXEESVSA-N 288.347 2.738 0 1 CFAF NC(=S)Cc1nc(-c2cc(F)ccc2F)cs1 587921684 RAZWFDOGJTXQGY-UHFFFAOYSA-N 270.329 2.917 0 1 CFAF COc1cccc(CCc2nc3c(Cl)ncnc3[nH]2)c1 587931180 MPTXLRBEJYCLKF-UHFFFAOYSA-N 288.738 2.800 0 1 CFAF CN(C)c1ncccc1-c1nc2cc(F)ccc2[nH]1 587195504 IHEOEDCRVNTLET-UHFFFAOYSA-N 256.284 2.830 0 1 CFAF CCC[C@@]1(C(=O)OCC)NCCc2cc(C)c(F)cc21 962296345 GAXHKAGTCNBEPH-MRXNPFEDSA-N 279.355 2.838 0 1 CFAF Cc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1C 224262639 WMFIXXGFSXCMGC-UHFFFAOYSA-N 273.723 2.662 0 1 CFAF CN(Cc1ccnnc1)c1ccc2c3c(cccc13)C(N)=N2 13741449 NGCQLWAZSZHGJQ-UHFFFAOYSA-N 289.342 2.617 0 1 CFAF CC[C@H](c1ccc(C)cc1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O 13960320 OGPMHIVGCUKUGV-OWYFMNJBSA-N 299.370 2.609 0 1 CFAF CCc1c(Sc2ccccc2)[nH]c2nc(N)nc(N)c12 14967447 RXOBRUQVLQRTDA-UHFFFAOYSA-N 285.376 2.836 0 1 CFAF CC[C@@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3 169366100 POIANFSUDFGZHE-OWJJWPDWSA-N 280.364 2.853 0 1 CFAF CCOCCCNc1nc2ccccc2n2c(CC)nnc12 6901692 PGCDPDGWFYIZGO-UHFFFAOYSA-N 299.378 2.678 0 1 CFAF Cc1c(C(C)C)c(=O)on1C(=O)N1C[C@@H](C)C[C@@H](C)C1 26939347 QHIHWVFGLMAKMM-PHIMTYICSA-N 280.368 2.819 0 1 CFAF O=C(OCc1cccc(F)c1)c1cccc(S)n1 28969204 OHJOCHBVYDYTJP-UHFFFAOYSA-N 263.293 2.866 0 1 CFAF Cc1noc(C)c1-c1ccc(C(=O)c2ncc[nH]2)cc1 20601021 WXAOKEDEYPUZEK-UHFFFAOYSA-N 267.288 2.913 0 1 CFAF CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1 63298441 HHSVICUMCOBRPT-UHFFFAOYSA-N 275.308 2.790 0 1 CFAF Cc1cccc(C)c1Oc1nc(N)nc(Cl)n1 103273386 XFOAHIVSIVEXRX-UHFFFAOYSA-N 250.689 2.516 0 1 CFAF CC(C)(C)NC(=O)c1cnn2c1N[C@@H](c1ccccc1)C2 28704412 RDRDXGXVZKDZFQ-CYBMUJFWSA-N 284.363 2.578 0 1 CFAF CC(=O)CC[C@@H]1[C@@H]2C[C@@H]3[C@H](C[C@@]21C)OC(=O)[C@H]3C 2356483797 YEQKGSUBFXHBAX-MRWSCNBVSA-N 250.338 2.579 0 1 CFAF CC1=C[C@@H]2[C@H](CC1)C(C(=O)O)=CC[C@H]2[C@H](C)CO 2356532385 XBUHBZLIZBPSET-CZXHOFHRSA-N 250.338 2.618 0 1 CFAF C[C@@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)N(C)C 2356570060 VWWRXHKIFOBEKO-MRVPVSSYSA-N 294.738 2.750 0 1 CFAF CNC[C@H](O)[C@H](c1ccccc1)n1ccc2ccccc21 34619312 ANOKEIWYHCYLAM-ROUUACIJSA-N 280.371 2.811 0 1 CFAF CC(C)c1n[nH]c2c(NCc3ccccc3N)ncnc12 72107775 USZIDRZRMGRYSI-UHFFFAOYSA-N 282.351 2.671 0 1 CFAF COc1cc2[nH]c3c(c(=O)c2cc1Cl)CSCC3 72109220 STCNXYXKQBRQDB-UHFFFAOYSA-N 281.764 2.979 0 1 CFAF CCCOc1cc([C@@]2(C)CNC(=O)O2)ccc1CC 84758962 RJBBCRDCCVELAW-OAHLLOKOSA-N 263.337 2.993 0 1 CFAF in-man CCCC(=O)c1cnn(-c2ccc3c(c2)OCCN3)c1C 299829516 KDZZNLIFPSGBHJ-UHFFFAOYSA-N 285.347 2.968 0 1 CFAF O=C(O)/C=C/C=C/c1nc2cc(F)c(-n3cccn3)cc2[nH]1 587968745 PAXUNVABTAZBPI-GRSRPBPQSA-N 298.277 2.542 0 1 CFAF COC(=O)[C@H]1CCc2c1nc1cccc3c1c2CC3 587213574 JKIXRBRKNDUFGP-LBPRGKRZSA-N 253.301 2.536 0 1 CFAF CC(C)[C@@H](c1nc2cncc(Br)c2[nH]1)N(C)C 587198479 GAYQDMOQSMFSRY-NSHDSACASA-N 297.200 2.979 0 1 CFAF Cc1nc(C)c(Cc2nc3ccc(CCO)cc3[nH]2)s1 587011449 GSURLQVOZYJREX-UHFFFAOYSA-N 287.388 2.762 0 1 CFAF CCNCCC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874291 ZZPIFEYKZJYHFE-UHFFFAOYSA-N 275.283 2.435 0 1 CFAF Fc1ccc(OCc2nc3cnc(Cl)[nH]c-3n2)cc1 587169050 RIZJFBRDNPIDAN-UHFFFAOYSA-N 278.674 2.676 0 1 CFAF COc1cc(C)c(O)n1-c1cccc(Br)c1N 587936372 IKELNVLLCXODBT-UHFFFAOYSA-N 297.152 2.845 0 1 CFAF CC[C@H]1OCCC[C@H]1c1nc2cncc(OC)c2[nH]1 586912769 PFEGGRYNWQTTCQ-MWLCHTKSSA-N 261.325 2.639 0 1 CFAF Cc1cc2c(cc1F)[C@](c1cccs1)([C@@H](C)O)NCC2 962297561 JWCPLJSFIAGVNY-BZNIZROVSA-N 291.391 2.966 0 1 CFAF Cc1cc([C@H]2NCCc3ccc(O)cc32)cnc1C 963352589 MKSOPJYZGKYFLZ-MRXNPFEDSA-N 254.333 2.639 0 1 CFAF CN1[C@H]2CC[C@@H]1[C@@H](c1ccc(Br)nc1)C2 13519396 GXJFGFJKAUWQKD-HBNTYKKESA-N 267.170 2.794 0 1 CFAF O=C1CCc2cc3c(c4c5cccc(O)c5n1c24)CCNC3 13558720 HFKVLNRQLIUBQK-UHFFFAOYSA-N 292.338 2.732 0 1 CFAF CC(=O)OC[C@H]1CN(C)CC[C@H]1c1ccc(Cl)cc1 13779624 HJKKWIJTYBPLCJ-HIFRSBDPSA-N 281.783 2.938 0 1 CFAF CCN1C(=N)S[C@H](Cc2c[nH]c3ccccc23)C1=O 169315701 DDPCZJIOGKPNMQ-GFCCVEGCSA-N 273.361 2.609 0 1 CFAF COc1ccc(-c2noc(C[C@H]3CN4CCC3CC4)n2)cc1 1857557277 JOFZVTXRVILMHK-AWEZNQCLSA-N 299.374 2.630 0 1 CFAF Oc1ccc(Nc2nccc(-c3ccncc3)n2)cc1 26655872 JDDXILVQILQBMC-UHFFFAOYSA-N 264.288 2.988 0 1 CFAF COc1cc(/C=C/C(=O)OC(C)C)cc(OC)c1OC 57465019 DISQENNSXSAVRL-VOTSOKGWSA-N 280.320 2.677 0 1 CFAF O=C1C=C(C(F)(F)F)[C@H]2C=CC(NC3CCCC3)=C[C@@H]2N1 101438431 CCKPVDRMFZJORS-YPMHNXCESA-N 298.308 2.576 0 1 CFAF CCc1ccc(OC[C@H](O)[C@@H](C)NC(C)(C)C)cc1 28227092 ILFYZXRVILFBCR-DOMZBBRYSA-N 265.397 2.765 0 1 CFAF CCOc1ccc(C(=O)c2ccc3n2CC[C@H]3C(=O)O)cc1 25996040 AAMLNSOOKQMCSS-CYBMUJFWSA-N 299.326 2.690 0 1 CFAF CC[C@H](CO)Nc1ccn2nc(-c3ccccc3)cc2n1 61896822 VGEQANBNXCGMQB-CYBMUJFWSA-N 282.347 2.579 0 3 CFAF CCC(O)(CC)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 2356861683 ULUHQSIYSZSCGW-ZDUSSCGKSA-N 274.316 2.648 0 1 CFAF COc1ccc2ccc(=O)oc2c1/C=C\C(C)(C)O 33832895 MDKAWXCQYALXRL-HJWRWDBZSA-N 260.289 2.586 0 1 CFAF biogenic,in-vitro CCOP(=O)(OCC)c1ccccc1OC(C)=O 3181314 LOUNIRFUCMDQDK-UHFFFAOYSA-N 272.237 2.503 0 1 CFAF biogenic CCOC(=O)CCc1c(C)oc2cc(OC)c(O)cc12 43024037 PWTTZFIDOABFCN-UHFFFAOYSA-N 278.304 2.951 0 1 CFAF COC(=O)C1=C[C@H]2[C@@H](CC1)[C@H](C)CC[C@]2(O)C(C)C 238749615 OMANEMKWGFJPBB-DSRCVFDASA-N 266.381 2.929 0 1 CFAF COc1ccc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c2c1 587116948 FRCMFXLDPLMREP-UHFFFAOYSA-N 296.252 2.991 0 1 CFAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2c(N)ccnc2[nH]1 587928604 ABDOVTSPPPYLNO-APPDUMDISA-N 294.358 2.994 0 1 CFAF COc1cncc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c12 586907801 XOQYVPIWELPSRO-SDQBBNPISA-N 293.282 2.635 0 1 CFAF N=c1[nH]cc2nc(-c3cc4ccccc4c(Cl)n3)nc-2[nH]1 587086116 SKVORHMDSFPXOM-UHFFFAOYSA-N 296.721 2.586 0 1 CFAF CCOCc1ccc(-c2nc3ncnc(Cl)c3[nH]2)o1 586903633 RPRJXILDCJHTQZ-UHFFFAOYSA-N 278.699 2.803 0 1 CFAF C[C@@H](Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)N(C)C 587192128 RJGIHSFITDVKRV-YFKPBYRVSA-N 275.249 2.612 0 1 CFAF C[C@]1([C@H]2CO2)CC(=O)c2ccc3c(c2O1)CCCC3 587536490 URUNVXFNRKIMAN-GDBMZVCRSA-N 258.317 2.688 0 1 CFAF CC(C)Oc1cc2nc(CCO)[nH]c2cc1Br 586894891 XXQVXCWAMJNXOP-UHFFFAOYSA-N 299.168 2.647 0 1 CFAF CCOC(=O)Cn1c(O)cc2cc(Br)ccc21 957575445 SYRGKHBNBRVXCS-UHFFFAOYSA-N 298.136 2.673 0 1 CFAF CN1C[C@]2(C)OC(=O)C(Cl)=C2C[C@@H]1c1ccccc1 13118811 ZLCXKDYXSQYNRL-DOMZBBRYSA-N 277.751 2.872 0 3 CFAF COc1cc(CCC(=O)c2ccc(O)cc2O)ccc1O 13340342 NKLQEBAADGTJCF-UHFFFAOYSA-N 288.299 2.628 0 1 CFAF biogenic,in-vitro O=c1c2c(oc3cc(O)cc(O)c13)-c1ccccc1CO2 13481510 JZTXJKVSLMTNOQ-UHFFFAOYSA-N 282.251 2.764 0 1 CFAF NC(=O)Nc1ccc(-c2cccc3onc(N)c23)cc1 14975333 QKEZZTSUDGCSDM-UHFFFAOYSA-N 268.276 2.568 0 1 CFAF CC1=C2C(=O)O[C@H](c3ccoc3)[C@]2(C)CC[C@@H]1CO 2356365325 JXFVXBAQROLVFV-WDBKCZKBSA-N 262.305 2.603 0 1 CFAF COc1ccc2c(-c3cccnc3)cc(=O)[nH]c2c1 2643731 UCAKKIVMJPEGCP-UHFFFAOYSA-N 252.273 2.599 0 3 CFAF O=C1Nc2ccccc2C1=Cc1nnc2ccccc2c1O 2356333656 VOMIZFVKXYVQPM-UHFFFAOYSA-N 289.294 2.828 0 1 CFAF Cc1nnc2c(NCc3ccco3)nc3ccccc3n12 6781874 ZBPNYQPOOHIRLI-UHFFFAOYSA-N 279.303 2.791 0 1 CFAF C[C@H]1Nc2ccc(C(=O)NC3CCCCC3)cc2NC1=O 6785194 AXQYPYXHIUMKQE-SNVBAGLBSA-N 287.363 2.502 0 3 CFAF CCCCCC[C@]1(c2ccncc2)CCC(=O)NC1=O 26579581 OMXBJJLSIPHZKY-MRXNPFEDSA-N 274.364 2.726 0 1 CFAF Cc1c(C(C)C)c(=O)on1C(=O)Nc1ccccc1 26844289 YUAMRUGGYORQMM-UHFFFAOYSA-N 260.293 2.953 0 1 CFAF COC1=C(SC)C(=CN=O)NC(c2ccccn2)=C1 2356704038 FXPSZLHFJDHOMI-UHFFFAOYSA-N 275.333 2.855 0 1 CFAF CCC[C@@H]1N[C@@H](C(=O)OC)Cc2c1[nH]c1ccccc21 39172991 OTLPIVLPOZNBIP-UONOGXRCSA-N 272.348 2.696 0 1 CFAF COc1ccc(O)cc1-c1coc2cc(O)ccc2c1=O 198425880 BCOAHUDCGHXIHI-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF CC(=O)OC[C@](C)(O)[C@H]1/C=C/[C@](C)(O)CC/C=C(\C)CC1 95620007 RTFVWCRRSNVOBR-QLRWJWPCSA-N 296.407 2.744 0 1 CFAF endogenous,in-man c1ccc2c(c1)N[C@@H]1CC[C@H]3[C@@H]4CCO[C@@]35N(CC4)CC[C@@]215 238780798 VXULHDGVSWUSAZ-JCTKKGROSA-N 296.414 2.971 0 1 CFAF C=C(c1ccncc1)c1cc2c3c(c1)CCN3C(=O)CC2 95594743 CXLKZWZMINMQCK-UHFFFAOYSA-N 276.339 2.978 0 1 CFAF COc1ccc(/C=C/[C@]2(C)C=CC(=O)O2)c(OC)c1OC 96921236 RMEQYULWANVMOI-MNDMWVCDSA-N 290.315 2.597 0 1 CFAF CC(C)[C@H](O)[C@H](O)C[C@H](C)CCC(=O)c1ccoc1 238775504 PRLJTIPWGNRUNG-DFBGVHRSSA-N 268.353 2.647 0 1 CFAF endogenous,in-man CC(C)CN1C(=O)C=C(Cl)[C@]1(O)c1ccc(F)cc1 653885951 ICRODUZVKKSIRJ-CQSZACIVSA-N 283.730 2.592 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](c1ccnn1C)CC2=O 587478336 SCJIYWZCHQCKEF-HNNXBMFYSA-N 286.331 2.785 0 1 CFAF CC[C@@]1(C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587526557 UMNJXCPLCNMXMR-KRWDZBQOSA-N 288.343 2.852 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnccc1C)O2 587396308 YSQSBBADTLEFHV-OAHLLOKOSA-N 268.316 2.987 0 1 CFAF COc1cncc2nc([C@H]3CCCC(=O)CC3)[nH]c12 586887514 UOTMMYGQVZTORJ-VIFPVBQESA-N 259.309 2.583 0 1 CFAF O=C1CSC[C@@H](c2nc3cc4ccccc4cc3[nH]2)N1 587043963 WFENHIHAYCLRAE-ZDUSSCGKSA-N 283.356 2.620 0 1 CFAF Cc1cc2[nH]c(C[C@H]3CCC(=O)[C@@H]3C)nc2c(C)n1 587963598 PAKWLMDPGIBGHE-MWLCHTKSSA-N 257.337 2.732 0 1 CFAF OCc1ccc(F)c(-c2nc3cc4c(cc3[nH]2)OCO4)c1 587141134 XQQXRGZKWZKKJQ-UHFFFAOYSA-N 286.262 2.590 0 1 CFAF O=C(O)Cc1c(-c2ccc[nH]2)[nH]c2cccc(F)c12 587636866 MTODUMBWNOHPKW-UHFFFAOYSA-N 258.252 2.929 0 1 CFAF C[C@]1([C@@H]2CCCS2)c2ccsc2CCN1C(N)=O 962708012 JJOBQQRBDSXYHL-WCQYABFASA-N 282.434 2.796 0 1 CFAF COc1cccc(Nc2nc(C)cc(N(C)C)n2)c1 9146827 ZSIMAMXJVJENNO-UHFFFAOYSA-N 258.325 2.603 0 1 CFAF CC1=C[C@H](Oc2ccc(F)cc2Br)OC1=O 147275577 IGRCSIKDODUAQH-SNVBAGLBSA-N 287.084 2.796 0 1 CFAF C[C@]12C[C@@H](O)[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O 13152272 IGSYRIQHXYIOHU-HITLURFISA-N 286.371 2.788 0 1 CFAF Fc1ccc(Cn2cnc3ncnc(Cl)c32)cc1 13608600 AEWYJSMJIBBOBY-UHFFFAOYSA-N 262.675 2.667 0 1 CFAF COc1cc(O)c2c(c1)O[C@@H](c1ccccc1O)CC2=O 14806243 RWLCJUJOUDVNQX-CQSZACIVSA-N 286.283 2.813 0 1 CFAF biogenic,in-vitro Nc1nc2ncccc2cc1C(=O)c1c[nH]c2ccccc12 203467084 IMDLCQLOEYFSAP-UHFFFAOYSA-N 288.310 2.924 0 3 CFAF O=C(CCN1C[C@H]2CCC[C@H](C2)C1)Nc1cccnc1 1857596389 WBXZCJKIEASFNF-OKILXGFUSA-N 273.380 2.532 0 1 CFAF CCCN1c2ncccc2C(=O)N(C)c2cccnc21 13211 BIMVPHVSJNJGOR-UHFFFAOYSA-N 268.320 2.615 0 1 CFAF CN(C)CCN(Cc1ccc(Cl)cc1)C1=CC=C[CH]N1 2356320258 RHNMBDKNEMQONY-UHFFFAOYSA-N 290.818 2.866 0 1 CFAF N[C@@H]1C2(CCCCCC2)NC(=O)C12CCCCCC2 1619825 VYDUQVXUWUXMJK-ZDUSSCGKSA-N 264.413 2.877 0 1 CFAF CC(C)(C)c1cnc(C(=O)Nc2cccc(O)c2)cn1 103199357 NPTDZPNKARLYAX-UHFFFAOYSA-N 271.320 2.732 0 1 CFAF CCOC(=O)n1c(=O)oc2c3ncccc3c(Cl)cc21 28253085 PNXFHJJKFLAPRS-UHFFFAOYSA-N 292.678 2.801 0 1 CFAF C[C@H]1CCC[C@H](NC(=O)CNCc2ccccc2F)[C@@H]1C 58444873 NOHHYXJOLYVXCJ-ZENOOKHLSA-N 292.398 2.856 0 1 CFAF CC(C)C[C@@]1(C(=O)c2ccc3[nH]ncc3c2)CCCN1 62225352 HXVMFBSINMZKRO-MRXNPFEDSA-N 271.364 2.914 0 1 CFAF Cc1ccccc1C(=O)c1ccc2n1CC[C@H]2C(=O)O 25994176 XZDNBSYTXJNDNK-GFCCVEGCSA-N 269.300 2.599 0 1 CFAF CC=C(C)C=CC(=O)N[C@H](C(=O)O)[C@H](C)c1ccccc1 2356803462 XCRLERGVAUJBQZ-CJNGLKHVSA-N 287.359 2.882 0 1 CFAF CC(C)c1cc2c(=O)n3cc(C(=O)O)ccc3nc2s1 39318970 OEDQQTWSUJDORC-UHFFFAOYSA-N 288.328 2.731 0 1 CFAF CN1CCN2C[C@H](c3ccc(N)cc3)c3ccccc3[C@@H]2C1 36288972 MQYSOFADODEXLT-MOPGFXCFSA-N 293.414 2.703 0 1 CFAF O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccsc2c1 34057955 AFLJKKMTBWNZFE-AWEZNQCLSA-N 286.400 2.725 0 1 CFAF O=C(O)c1[nH]nc2c1C[C@@H](c1ccccc1F)CC2 43063533 IBIKXOKLTWYROG-QMMMGPOBSA-N 260.268 2.520 0 1 CFAF CC(=O)NCCc1cccc2ccc(OCCF)cc12 82153921 JRZLHONFZWFZPE-UHFFFAOYSA-N 275.323 2.867 0 1 CFAF O=Cc1cc2ccccc2n(Cc2ccccc2)c1=O 196988462 YRSPCRUWAKFSQP-UHFFFAOYSA-N 263.296 2.862 0 1 CFAF CCC[C@@H]1c2cc(O)c(OC)cc2CCN1C(C)=O 40894953 JBLCPUVUDIOMPM-CYBMUJFWSA-N 263.337 2.647 0 1 CFAF Cn1c(CNC2CCCC2)nnc1-c1cc(F)cc(F)c1 42963751 MXPMYHOEQBDZMD-UHFFFAOYSA-N 292.333 2.793 0 1 CFAF Cc1nnc(SCc2coc3ccccc3c2=O)o1 96911295 PIEAALGIFNOLFW-UHFFFAOYSA-N 274.301 2.777 0 1 CFAF O=C(NCC1CC1)n1nc2cc1Oc1ccc(F)cc1-2 587875879 UKMAUOPDJXGHOX-UHFFFAOYSA-N 273.267 2.763 0 1 CFAF Oc1nccc2nc(COC/C=C\c3ccccc3)[nH]c12 587781572 XGTNHGKZQPLZJQ-DAXSKMNVSA-N 281.315 2.894 0 1 CFAF Nc1ccc(-c2nc3cnncc3[nH]2)c(C(F)(F)F)c1 587095350 FFZMJDWBYVRQLE-UHFFFAOYSA-N 279.225 2.621 0 1 CFAF CO[C@@H]1CCC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 587404366 WWGGXBXACLWRGH-BDJLRTHQSA-N 275.348 2.870 0 1 CFAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2CCO[C@@H]21 587484526 GRDJCJXZKBDSOG-PZDALLCQSA-N 288.343 2.858 0 1 CFAF Nc1cc2nc(C(=O)CCc3ccccc3)[nH]c2cc1N 587952890 BRCOKCOWIULRLA-UHFFFAOYSA-N 280.331 2.543 0 1 CFAF O=C(CCc1ccccc1)c1nc2ncnc(Cl)c2[nH]1 587953864 VMQMYYPUOFSTJY-UHFFFAOYSA-N 286.722 2.822 0 1 CFAF N[C@@]1(c2nc3cc(F)cnc3[nH]2)C[C@H]1c1ccccc1F 587153884 BBPXQYYSQGAZTB-BONVTDFDSA-N 286.285 2.578 0 1 CFAF N=c1cc2nc(/C=C/c3ccc(F)cc3F)[nH]c2c[nH]1 587151582 STBUNKAFYBQASC-DUXPYHPUSA-N 272.258 2.819 0 1 CFAF Cc1c(F)ccc2c1[C@@]1(CCC[C@@H]1CN(C)C)NCC2 962141101 BEZLZRIOXIEYQT-PBHICJAKSA-N 276.399 2.837 0 1 CFAF Cc1ccnc2c1CCN[C@]2(C)[C@H]1C[C@H](N)c2ccccc21 963079028 ZUWBRVCYDKTLHK-JENIJYKNSA-N 293.414 2.938 0 1 CFAF COc1cc(O)c2c(c1)OC(=O)C[C@@H]2c1ccc(O)cc1 13459640 FWKRAEMBDHKHAF-GFCCVEGCSA-N 286.283 2.547 0 1 CFAF COC(=O)[C@H]1[C@@H](c2ccccc2)C[C@@H]2CCC[C@H]1N2C 13760467 BKQAVNYMOZGBMJ-JJXSEGSLSA-N 273.376 2.816 0 1 CFAF CC(=O)OCC1=CC=C[C@@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@@H]12 14452527 BNDINTDCMRWSFR-ZOBUZTSGSA-N 288.343 2.704 0 1 CFAF Nc1c2c(nc3c1C[C@@H](c1ccccc1)C(=O)N3)CCCC2 1857584095 AXONXZBUCVBNLR-ZDUSSCGKSA-N 293.370 2.821 0 1 CFAF CCCCCC=CCC=CCCC(=O)OC[C@@H](O)CO 2356340225 KDEBRNWWOLCHBY-HNNXBMFYSA-N 284.396 2.746 0 1 CFAF O=C1[C@@H]2CCCC[C@H]2C(=O)N1Nc1cccc(Cl)c1 102220525 USRZXSLHTUVBHK-VXGBXAGGSA-N 278.739 2.842 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2ccc(F)c(C)c2)C[C@@H]2CC[C@@H]1N2C 100739527 JWQGRCSMNJKNOQ-LQKXBSAESA-N 291.366 2.873 0 1 CFAF CN1CCc2cccc3c2[C@H]1Oc1ccc2c(c1-3)OCO2 29231597 WDBXXFPPMZAFFK-QGZVFWFLSA-N 281.311 2.961 0 1 CFAF CSc1cc(-c2ccc(Cl)cc2)oc(=O)c1C(N)=O 26852261 ICJVBFQOJFMYIF-UHFFFAOYSA-N 295.747 2.781 0 1 CFAF CN(C)CCCOc1nccc(-c2cccs2)n1 26640155 BOWLAWTWWXEFBT-UHFFFAOYSA-N 263.366 2.536 0 1 CFAF O=C1NCCCSc2c1sc1ccc(O)cc21 66097740 ZUYALLZMSFUHFE-UHFFFAOYSA-N 265.359 2.833 0 1 CFAF CCN(CC)C(=O)/C=C/C=C/c1ccc2c(c1)OCO2 33957154 HERKSPCMCQYVSE-KQQUZDAGSA-N 273.332 2.853 0 1 CFAF CC(=O)[C@@]12C[C@]3(C)CCCN(C(=O)N[C@@H]1c1ccccc1)[C@@H]32 72136057 ONTKFHSXUVMCCB-FZCLSBEQSA-N 298.386 2.901 0 1 CFAF CCCC[C@@]12C[C@]1(C(N)=O)C(=O)Nc1ccc(Cl)cc12 34821538 XGIVVAMNUVRXLF-GJZGRUSLSA-N 292.766 2.596 0 1 CFAF Nc1nccc(-c2c[nH]c3cccc(Br)c23)n1 72111278 OFIIDVYQPHIIQL-UHFFFAOYSA-N 289.136 2.970 0 1 CFAF C[C@@H](CC(=O)C[C@]1(C)C2C[C@H]3[C@@H](C2)C31C)C(=O)O 86038749 PJKNORSNWWYCMC-VQDNQMICSA-N 250.338 2.739 0 1 CFAF endogenous,in-man Cc1ccc(O)cc1-c1nnc2c(C)nc3cccnc3n12 145727260 QOWBGPIVWUACNE-UHFFFAOYSA-N 291.314 2.662 0 1 CFAF COc1cc2c(cc1O)CCN(C)[C@@H]2Cc1ccc(O)cc1 142316457 HTSOYRHMEMWMRT-MRXNPFEDSA-N 299.370 2.878 0 1 CFAF Cc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)O)c1 252628044 SGZYQAYFUHQODN-OSLXHZNNSA-N 297.354 2.702 0 3 CFAF Fc1ccc2c(c1)-c1cc(n(-c3cncnc3)n1)O2 587875655 TXTUBQIOCMRQIV-UHFFFAOYSA-N 254.224 2.574 0 1 CFAF COCC(C)(C)[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587398833 FLMAFIVTHQOCNE-CYBMUJFWSA-N 263.337 2.584 0 1 CFAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2c(N)ncnc2[nH]1 587952479 RTSCSRNRHDCACV-MXWKQRLJSA-N 289.383 2.982 0 1 CFAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cncnc2[nH]1 587932491 PAGMJLKGZYCNEL-MEDUHNTESA-N 280.331 2.807 0 1 CFAF Nc1cc(F)c(-c2nc3cc(Cl)ncc3[nH]2)cc1N 587135870 HBHBBAVBPMZUIJ-UHFFFAOYSA-N 277.690 2.582 0 1 CFAF CC(=O)Nc1cccc(Cc2nc3cncc(C)c3[nH]2)c1 587242486 MNCGESIMHVPKSG-UHFFFAOYSA-N 280.331 2.816 0 1 CFAF COc1ccc(-c2nc3c(Cl)ncnc3[nH]2)c(Cl)n1 587083760 KBNYWOCEUCWJAW-UHFFFAOYSA-N 296.117 2.730 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)nn1)O2 587383629 ZGHDQXBPAKNBPI-LBPRGKRZSA-N 289.722 2.727 0 1 CFAF N=c1[nH]cc2nc(-c3cc(Cl)nc4ccccc34)nc-2[nH]1 587084643 FDNAREUQDRMLOB-UHFFFAOYSA-N 296.721 2.586 0 1 CFAF O=C(Nc1ccccc1Cl)c1nc2c(O)nccc2[nH]1 587060773 UVAVTEKQHOLEGG-UHFFFAOYSA-N 288.694 2.569 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CSC[C@@H]1C)O2 587412446 CLNUWDNNTCOXRW-XPTSAGLGSA-N 263.362 2.664 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)nc1)O2 587386119 IHJOMVQHGHBGOX-CYBMUJFWSA-N 272.279 2.818 0 1 CFAF CC(C)[C@](C)(O)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586889312 MJFBHBLUOPTSHO-HNNXBMFYSA-N 288.326 2.751 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1cc(O)cc(O)c1)[C@@H](C2)C3=O 587449316 JAUQHXVDDHIASO-SUMWQHHRSA-N 298.294 2.595 0 1 CFAF Cc1c(C)c(O)n(-c2cccc(Br)c2N)c1O 587935471 ANWGQKAFYSCRSF-UHFFFAOYSA-N 297.152 2.850 0 1 CFAF NC[C@@H]1C=C(c2ccc(-c3ccccc3)cc2)NO1 958574783 FFMGFGNCRDPLRR-HNNXBMFYSA-N 252.317 2.557 0 1 CFAF CO[C@@]1(C)C[C@]2(NCCc3ccc(O)cc32)C1(C)C 963329673 QOCDOFGFMVMTPO-JKSUJKDBSA-N 261.365 2.568 0 1 CFAF Cc1cc(CN2CCOCC2)nn1C1CCCCC1 1857549626 FLWAALPPDHJWGS-UHFFFAOYSA-N 263.385 2.529 0 1 CFAF CC(C)Cn1cnc2c(=O)oc3cc(O)ccc3c21 1857563003 BSSBYEKIEJROSJ-UHFFFAOYSA-N 258.277 2.504 0 1 CFAF O=C(O)c1coc(Cc2ccc(OC(F)(F)F)cc2)n1 1857760548 SMSDBOVBCZSVOF-UHFFFAOYSA-N 287.193 2.862 0 1 CFAF CC[C@@H](C)CSC(=S)NCC/C=C/[S@@](C)=O 1857770150 SEEYPZXHCAHTKX-OVZWUADYSA-N 279.496 2.923 0 1 CFAF O=C1OC[C@H]2[C@H]3c4ccccc4[C@@H](O)c4ccccc4[C@H]3[C@@H]12 17191352 KAFDISJYHBMFEQ-OBVSXPTNSA-N 292.334 2.752 0 1 CFAF Oc1ccc(CCNc2cccn3ccnc23)cc1 169313264 XLVUSWCICWYYLS-UHFFFAOYSA-N 253.305 2.695 0 1 CFAF O=Cc1cc(-c2ccc(C(=O)O)cc2)cc(F)c1O 169699667 RJZVEBKKOLWDPY-UHFFFAOYSA-N 260.220 2.709 0 1 CFAF CN(Cc1cccc(F)c1)[C@H]1[C@@H]2[C@H]3C[C@H]4[C@@H]2C(=O)[C@@H]2[C@@H]4[C@H]3[C@@H]12 205438701 MSTPNDDVMWUDFF-KIRFCYLASA-N 297.373 2.583 0 1 CFAF c1ccc(C2=NO[C@@H]3COc4ccccc4OC[C@@H]23)cc1 6574933 IIAKATNTLDMOGD-CZUORRHYSA-N 281.311 2.877 0 1 CFAF c1cc(-c2cnc3cc4c(cc3n2)[C@@H]2CNC[C@@H]4C2)c[nH]1 101032855 YYWDSYCXFGGAQR-RYUDHWBXSA-N 276.343 2.799 0 1 CFAF Oc1cncc(-c2ccccc2O[C@H]2C[C@@H]3CNC[C@H]2C3)c1 58534748 WXTQMACZCSXJTB-DFHBCGBQSA-N 296.370 2.831 0 1 CFAF O=C1c2cccnc2C(=O)N1C12CC3CC(CC(C3)C1)C2 28711759 UTERXCJDUSWNRB-UHFFFAOYSA-N 282.343 2.646 0 1 CFAF O=C1Cc2c(n3c4c(cccc24)CC3)-c2ncccc2N1 29053511 GGYPDKUMTHBHNO-UHFFFAOYSA-N 275.311 2.754 0 1 CFAF CCO/C(O)=C/C1=N[C@]2(CCC1)CCC[C@@H]2CO 100816858 ADJQYRQSERRXMI-QKBIWAADSA-N 253.342 2.578 0 1 CFAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C/c1ccccc1 100816448 XTYJQBUILMRWGE-YBVRZKKGSA-N 283.371 2.726 0 1 CFAF O=C(CCCCc1cc(CO)no1)Nc1ccccc1 64479829 IIKWZMGORSMIQU-UHFFFAOYSA-N 274.320 2.518 0 1 CFAF COc1cc(O)cc2cc3c(c(O)c12)C(=O)C[C@@H](C)[C@H]3O 2356646931 USXWNPRVDQRHME-KWKYVRJSSA-N 288.299 2.516 0 1 CFAF C[C@]12CC[C@H]3[C@@H]([C@@H](O)C[C@H]4C[C@@H](O)CC[C@H]43)[C@@H]1CCC2=O 2356692842 MWTVKHPOHVKKET-ZKFAVYBDSA-N 292.419 2.540 0 1 CFAF COC(=O)c1cc(C)cc(C(=O)C[C@H](C(=O)O)C(C)C)c1 2356788694 CIOYLFYSQCUPJU-ZDUSSCGKSA-N 292.331 2.711 0 1 CFAF CCN(Cc1ccccc1)c1ccc2nc(N)nc(N)c2c1 40955118 XOMLMJSCDDLODI-UHFFFAOYSA-N 293.374 2.821 0 1 CFAF COC(=O)c1ccc2cc(C(C)C)c3c(c2c1)C(=O)NC3=O 45255963 TVHJFFWRCNFNLY-UHFFFAOYSA-N 297.310 2.633 0 1 CFAF Cc1ccc(/C=C/c2nc3cncnc3[nH]2)cc1F 587146163 BMFJCLYLHUIHCA-SNAWJCMRSA-N 254.268 2.971 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccn(C)c1)[C@@H](C2)C3=O 587431064 MDTJBBFUVPMWSJ-LRDDRELGSA-N 269.300 2.522 0 1 CFAF CN[C@H](c1cccnc1)c1nc2cc(F)c(F)c(F)c2[nH]1 587223558 OCSHRCVJELJSBH-GFCCVEGCSA-N 292.264 2.684 0 1 CFAF Cc1cc2c(O)nc(O)nc2nc1-c1ccsc1C 587564083 YYXOSZUQBBRDTG-UHFFFAOYSA-N 273.317 2.781 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC)n1)[C@@H](C2)C3=O 587436925 VIVNLUYYUCBTCG-APPDUMDISA-N 297.310 2.588 0 1 CFAF CCOc1cc(-c2cccc(F)c2)nn1C[C@H](O)CC 587871472 INAQYSMPYNSEQQ-CYBMUJFWSA-N 278.327 2.859 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N)c(O)c1)O2 587388313 AECKUOMXGKMYTR-KRWDZBQOSA-N 298.342 2.746 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)CC1(CC(F)(F)C1)O2 587381203 CVLLNFHLOKKTEU-UHFFFAOYSA-N 253.248 2.710 0 1 CFAF CCOCCOCc1nc2cc(C)cc(F)c2[nH]1 587778427 KEXNRDJNUGQZHA-UHFFFAOYSA-N 252.289 2.564 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)OC(C)C)O2 587399221 HBNBVQSGKVWLSZ-MRXNPFEDSA-N 291.347 2.643 0 1 CFAF Oc1cccc([C@H](O)c2nc3cc(F)c(F)c(F)c3[nH]2)c1 586889838 HKIRLAVLKAROGU-ZDUSSCGKSA-N 294.232 2.768 0 1 CFAF O=C(O)C1CCN(c2ccnc3cc(F)cc(F)c23)CC1 957647273 NUHGJFFIZZLQJP-UHFFFAOYSA-N 292.285 2.814 0 1 CFAF CCCC(=O)NCCCc1ccc(F)c(OC)c1 1857565156 CYWRJZLWWUAAGM-UHFFFAOYSA-N 253.317 2.683 0 1 CFAF O=C1Cc2cc(OCc3ccc(F)cc3)ccc2N1 336079795 LFHZNRKXSKUBRS-UHFFFAOYSA-N 257.264 2.899 0 1 CFAF CCCNc1ccc2ncc(-c3cccc(O)c3)n2n1 147101173 BBRVCZSXNXYZKS-UHFFFAOYSA-N 268.320 2.924 0 1 CFAF CC(/C=C/C(N)=O)=C\[C@@H](C)C(=O)c1ccc(N(C)C)cc1 2004045 PCIMEOIYJHGTNG-QEQCGCAPSA-N 286.375 2.559 0 1 CFAF CC(=O)CC[C@@H](/C=C/[C@]1(C)C[C@@H](O)CO1)C(C)C 15164509 HNZVGCPOGGNFAH-HKJFTIBCSA-N 254.370 2.724 0 1 CFAF Nc1ccc(-c2cc(O)c3c(=O)cccc-3o2)cc1 169730038 BIQISURLQSFIBH-UHFFFAOYSA-N 253.257 2.699 0 1 CFAF CCNc1nc(NCC)nc(C(Cl)(Cl)Cl)n1 2013080 LWVNTGBZUZCBDW-UHFFFAOYSA-N 284.578 2.562 0 1 CFAF CCOC(=O)C1=C(C)N=C2COC(O)=C2[C@@H]1c1ccccc1 101688999 YLDUBLNJUDEUAA-CQSZACIVSA-N 299.326 2.862 0 1 CFAF COC(=O)C1=C(c2cccs2)C[C@@H]2CC[C@@H]1O2 101501286 RQDKDYRGZLTUMC-WPRPVWTQSA-N 250.319 2.626 0 1 CFAF CNC(=O)[C@H](OC)c1ccccc1Oc1ccccc1 103177179 DYLNOTAAQDKCER-OAHLLOKOSA-N 271.316 2.912 0 1 CFAF Cc1ccc(-c2nnc(-c3snnc3C)o2)cc1 103218673 ZWFIXZIUCLFROD-UHFFFAOYSA-N 258.306 2.872 0 1 CFAF CCC[C@H]1[C@H]2Cc3ccc(O)c4c3[C@]1(CCN2C)CO4 100806868 YJYVLAIQUINEOT-OGHNNQOOSA-N 273.376 2.699 0 1 CFAF CC(=O)O[C@@H]1CC(=O)[C@]2(C)CC=C(C(C)C)C[C@@H]2[C@]1(C)O 2356330818 VFNVULFGDFVUDV-SVGFKBNWSA-N 294.391 2.641 0 1 CFAF C=C(/C=C(\C)OC(C)=O)OC/C=C/[C@@H]1CC(=O)C(C)(C)O1 29550863 HXLNQXKFTIHYCA-GMOHMORYSA-N 294.347 2.676 0 1 CFAF O=C(O)C[C@H](O)CCCCCCCCCCCO 219961289 JJUKFGURSFBQSG-CYBMUJFWSA-N 260.374 2.715 0 1 CFAF in-vitro CC[C@]12CCCN3CC[C@@H]4c5ccccc5N([C@H](O)C1)[C@H]4[C@H]32 2356648653 LDHUNICCSKTUCE-DBDQLMEASA-N 298.430 2.945 0 1 CFAF CC1=C[C@H]2C[C@@H](C)[C@@]1(C)CCC1=CC(=O)N(CC(=O)O)[C@@H]12 2356806948 WBAMQNTZPRODKY-DTJGQCLQSA-N 289.375 2.611 0 1 CFAF CC1(C)SC(c2ccccc2N)=NN1C(=O)C1CC1 73274426 RPZUJDRAXJXDOI-UHFFFAOYSA-N 275.377 2.652 0 1 CFAF O=C(NCCCCc1ccccc1)NC1CCC(O)CC1 1911579535 LXTDYUKRGKTJBN-UHFFFAOYSA-N 290.407 2.612 0 1 CFAF O=c1nc(-c2ccc3[nH]ncc3c2)cc(-c2ccccc2)[nH]1 40976095 UXUQVXDYXKMCGA-UHFFFAOYSA-N 288.310 2.980 0 1 CFAF C[C@@H]1CC[C@@H]2[C@]13CC[C@@](C)(O)[C@H](C3)[C@@]2(C)C(=O)O 238759299 FCNHCYIIJBAGAO-FWRNSZFQSA-N 252.354 2.675 0 1 CFAF C[C@]12CC[C@@H]3[C@H]4CC[C@@H](O)C[C@@H]4[C@@H](O)C[C@H]3[C@H]1CCC2=O 255258410 PDQDPBXUHQIIKF-NHVWZDDISA-N 292.419 2.540 0 1 CFAF OC[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccs1 253637992 MUJMCJPASLGZMK-BMAPVDRNSA-N 261.390 2.607 0 1 CFAF CNc1ccc(Cc2nnc(O)c3ccccc23)cc1 473117380 ZDDKCODUZUJTMX-UHFFFAOYSA-N 265.316 2.968 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)C=C(c1ccccc1)CC3 587562374 YMAMJXIHOVUBOP-UHFFFAOYSA-N 291.310 2.923 0 1 CFAF O=C(O)c1ccccc1/C=C\c1nc2cnccc2[nH]1 586881790 ZBLHATGZMXHUHL-WAYWQWQTSA-N 265.272 2.827 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(Cc1cccnc1)[C@@H](C2)C3=O 587435240 CQSUSTIFMDPSBI-KBXCAEBGSA-N 295.338 2.839 0 1 CFAF COc1cc2nc([C@@H]3CCOC3)[nH]c2cc1Cl 586911297 GNCZVOSKFVDJQD-SSDOTTSWSA-N 252.701 2.729 0 1 CFAF COc1cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2cn1 587089052 WPWDHLSGOZVKRP-MRVPVSSYSA-N 294.305 2.716 0 1 CFAF CCCc1c(O)ccc2c1O[C@H]([C@H]1CCOC1)CC2=O 587486609 LZACPLMERAKWRV-BONVTDFDSA-N 276.332 2.715 0 1 CFAF CC1(C)c2nc3nc(O)nc(O)c3cc2[C@H]1c1ccccc1 587561231 FZUJEPBNWUZFBH-GFCCVEGCSA-N 293.326 2.859 0 1 CFAF CC[C@@]1([C@H]2CCOC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587454402 TZCAPSKMESSABL-PPHDSNJXSA-N 288.343 2.628 0 1 CFAF CC[C@H](C(=O)OC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400694 SDWPCGLQTJKNNW-BDJLRTHQSA-N 291.347 2.500 0 1 CFAF O=C1C[C@H](Cc2ccccc2)N1C(=O)NCc1ccccc1 13780472 DJTULQZWVZEGBV-INIZCTEOSA-N 294.354 2.740 0 1 CFAF O=C(c1ccc(OCCCc2c[nH]cn2)cc1)N1CCCC1 13813090 YNYNYHOMCILVMP-UHFFFAOYSA-N 299.374 2.657 0 1 CFAF COc1ccccc1[C@H]1CC(=O)Oc2cc(O)ccc21 13814262 UYUVYYYCLDJRMF-CYBMUJFWSA-N 270.284 2.842 0 3 CFAF COc1cccc2[nH]c(=O)c3c(c12)OC(C)(C)C=C3 15216862 SMAYXCAPAZDLBX-UHFFFAOYSA-N 257.289 2.721 0 1 CFAF biogenic,in-vitro Cn1cc([C@]2(O)C(=O)Nc3c(F)cccc32)c2ccccc21 169304434 MCPOPQODORUXRY-KRWDZBQOSA-N 296.301 2.505 0 3 CFAF CC(C)n1cc(-c2cccc(O)c2)c2c(N)ncnc21 8581888 NIQJRFJYORDEIO-UHFFFAOYSA-N 268.320 2.967 0 1 CFAF COc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1 26002398 LTUAWAFNHHSHLF-UHFFFAOYSA-N 281.359 2.657 0 1 CFAF CC(C)(C)c1ccc(C(=O)N2CCS[C@H]2C(=O)O)cc1 103322504 OLJAZBCLSPIGBW-ZDUSSCGKSA-N 293.388 2.584 0 1 CFAF CC(C)C(=O)N1CCC[C@]1(C)C(=O)Nc1ccccc1 61905178 QFVGVBYAHNDLHO-MRXNPFEDSA-N 274.364 2.662 0 3 CFAF Nc1ccc(S(=O)(=O)Nc2cccc3[nH]ccc23)cc1 28469714 AZJPSNFOIYDSGP-UHFFFAOYSA-N 287.344 2.551 0 1 CFAF CCN1CCN[C@H]2CCn3c(c(C)c4ccccc43)[C@@H]21 27313235 FBOFXUQUZVCOBJ-WMLDXEAASA-N 269.392 2.688 0 1 CFAF CCCN(CCC)[C@H]1Cc2cccn3ncc(c23)C1 29248050 NGFQETPADWIYMH-HNNXBMFYSA-N 257.381 2.924 0 1 CFAF CC[C@H](c1ccccc1)[C@H](O)P(=O)(OC)OC 211059018 KZSASZKIIISUKG-VXGBXAGGSA-N 258.254 2.985 0 3 CFAF NC(=S)Nc1cccc(OCCc2ccccc2)c1 33818105 NSRWDUDSMPTHKQ-UHFFFAOYSA-N 272.373 2.964 0 1 CFAF COc1ccc(C(=O)Nc2nc(C)c(O)c(C)c2C)cc1 221292066 SWDBNNPFPORILN-UHFFFAOYSA-N 286.331 2.973 0 1 CFAF CC(=O)Nc1nc(CCc2ccc(NC=N)cc2)cs1 95582075 VBSRRIQNWQNSAB-UHFFFAOYSA-N 288.376 2.906 0 1 CFAF COC(=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1[C@H]2SC(F)(F)C1(F)F 263597731 HCPVBBPSFIHYAT-PVFLNQBWSA-N 284.274 2.775 0 1 CFAF CC(C)n1nc(/C=C/c2cccc(O)c2)c2c(N)ncnc21 653765561 WPHPWLQAKTZKCF-VOTSOKGWSA-N 295.346 2.865 0 1 CFAF Clc1ncc(-c2nc3c(Cl)ccnc3[nH]2)cn1 587086128 SXEOXEKNWCSBOZ-UHFFFAOYSA-N 266.091 2.722 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cccnc1C)[C@@H](C2)C3=O 587434975 CEJHSMGPLZGOIR-GUYCJALGSA-N 281.311 2.887 0 1 CFAF Cc1cnc2[nH]c(/C=C\S(=O)(=O)c3ccccc3)nc2c1 586924505 RBJVUKXHIFKJDG-FPLPWBNLSA-N 299.355 2.711 0 1 CFAF COc1cncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587395070 OCJAPTXRMGZJGH-HNNXBMFYSA-N 284.315 2.687 0 1 CFAF C[C@H](F)[C@@H](N)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587124279 MFBYJIIAUVTZNT-VXJOIVPMSA-N 299.353 2.752 0 1 CFAF C[C@@H](c1nc2cc(F)cnc2[nH]1)n1cc(Cl)cn1 587080200 SHJVHRQSRWFFQK-LURJTMIESA-N 265.679 2.556 0 1 CFAF COc1ncccc1-c1ccc2[nH]c(CN)cc2c1 1857575322 FQSSNHFLZGLVDL-UHFFFAOYSA-N 253.305 2.697 0 1 CFAF CN(C)[C@H](c1ccccc1Cl)C1COCOC1 169323651 KCVNXOIURMBZIP-ZDUSSCGKSA-N 255.745 2.563 0 1 CFAF Cn1cc(-c2cnc3cnc(-c4ccsc4)cn23)cn1 1857601576 PRHBZECAUUVKKV-UHFFFAOYSA-N 281.344 2.858 0 1 CFAF O=C1[C@@H]2C=Nc3ccccc3C2=NN1c1ccccc1 6116830 QUUNMICPMYIHFS-CYBMUJFWSA-N 261.284 2.770 0 1 CFAF Cc1[nH]c2ncn3ncnc3c2c1Cc1ccccc1 6520456 JBZVGCLWNMJBIV-UHFFFAOYSA-N 263.304 2.505 0 1 CFAF O=c1cc(-c2ccc3[nH]ccc3c2)oc(N2CCOCC2)c1 101077664 AWODDYAKSFDGCI-UHFFFAOYSA-N 296.326 2.625 0 1 CFAF in-vivo Oc1ccc(C2=c3ccc4n3[C@@H]3C(=CC=4)CCCC[C@H]23)cc1 26472297 XSLAYQRDXPIQLV-YLJYHZDGSA-N 289.378 2.858 0 1 CFAF c1cc(CN2CCCC2)ccc1CCN1CCCC1 103298430 MTKDNSQQIKTFKL-UHFFFAOYSA-N 258.409 2.921 0 1 CFAF COc1cc(C)c(OC)c2c1C[C@@H](C[C@@H](C)N)CC2 27993101 QDYKNBNSVBXQTD-VXGBXAGGSA-N 263.381 2.854 0 1 CFAF COc1ccccc1Cc1cn(-c2ccc(O)cc2)nn1 64573591 GCTZRILEUWNPGN-UHFFFAOYSA-N 281.315 2.572 0 1 CFAF CCc1nnc2c(N(C)C)nc3cc(Cl)ccc3n12 26376982 AKGXODKCKBLVBD-UHFFFAOYSA-N 275.743 2.559 0 1 CFAF CO[C@@H]1OC[C@@H]2C(=O)[C@@H]3CC(C)(C)C[C@@H]3[C@]3(C)C[C@@]123 2356686188 WDZQKXZDBJTSQX-JDVMGKITSA-N 264.365 2.637 0 1 CFAF COc1ccc2cc(C[C@@H]3CC[C@@H](CO)O3)ccc2c1 61959129 ULEATUCPMCKRAM-IRXDYDNUSA-N 272.344 2.931 0 3 CFAF O=C(O)Cc1ccc2c(c1)CCc1ccccc1[S@]2=O 80499020 LMXHJVCWMXXJNK-FQEVSTJZSA-N 286.352 2.579 0 1 CFAF COc1ccc(O)c2c1C(=O)c1c(O)cc(C)cc1CO2 238770604 GOCARFFKXUMOPQ-UHFFFAOYSA-N 286.283 2.538 0 1 CFAF CN(c1ccc2[nH]ncc2c1)c1ccn(-c2ccccn2)n1 653897435 PNHHRWFIFSETRC-UHFFFAOYSA-N 290.330 2.912 0 1 CFAF FC(F)(F)Oc1cccc2nc([C@H]3CCOC3)[nH]c12 586910952 DHIIWAWSGJCVGP-ZETCQYMHSA-N 272.226 2.965 0 1 CFAF Clc1cc(Cl)c2[nH]c(C[C@H]3COCCO3)nc2c1 586909811 IXYOMMXSYWWWRV-QMMMGPOBSA-N 287.146 2.828 0 1 CFAF Nc1cnc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)nc1 587252221 ATIDYLNLFFBAQQ-UHFFFAOYSA-N 280.118 2.909 0 1 CFAF Oc1ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 586901784 ICRQJXXAJDQSGT-IUODEOHRSA-N 266.300 2.838 0 1 CFAF C[C@@H](Oc1ccc(F)cc1)c1nc2cccc(C(N)=O)c2[nH]1 587169576 ZQBRTPLFRQWYKS-SECBINFHSA-N 299.305 2.941 0 1 CFAF COc1cc2nc(-c3ccccc3/C=C/C(=O)O)[nH]c2cn1 586878437 DENULVSEEMZGIO-VOTSOKGWSA-N 295.298 2.731 0 1 CFAF Fc1cccc([C@@H]2C[C@@H]2c2nc3ncc[nH]c-3n2)c1F 587149782 BDZPICZYYKSGDO-IUCAKERBSA-N 272.258 2.854 0 1 CFAF [O-][n+]1ccccc1SCc1nc2ccnc(Cl)c2[nH]1 586968973 FIIHIMNIIDOUGI-UHFFFAOYSA-N 292.751 2.537 0 1 CFAF COc1ccc(C[C@H](C)c2nc3ncc[nH]c-3n2)cc1OC 587927525 VOKMKFLFXCLCOT-JTQLQIEISA-N 298.346 2.668 0 1 CFAF COc1cc2nc(-c3ccc(N(C)C)cn3)[nH]c2cc1OC 587195539 WVPWPUZNAOSZLT-UHFFFAOYSA-N 298.346 2.708 0 1 CFAF CC(=O)c1ccc2nc(C3CCC(N)CC3)[nH]c2c1 587257092 YZOLFBXXUDPDTG-UHFFFAOYSA-N 257.337 2.750 0 1 CFAF O=C(CCc1ccccc1)c1nc2nc(Cl)c[nH]c-2n1 587954033 ZOZQKDHUDVXGNR-UHFFFAOYSA-N 286.722 2.773 0 1 CFAF Cc1cnc2[nH]c(C[C@H]3CCc4occc4C3=O)nc2c1 586906991 IEZLINPMRYRACI-SNVBAGLBSA-N 281.315 2.847 0 1 CFAF Nc1ccnc2[nH]c(-c3cncc(C(F)(F)F)c3)nc12 587114965 BCPGSYZUFHVTOG-UHFFFAOYSA-N 279.225 2.621 0 1 CFAF COc1cc(C)c(N)c(-c2nc3cnccc3[nH]2)c1 587249218 KJJZDIBPZPVLLD-UHFFFAOYSA-N 254.293 2.524 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(F)cn1)[C@@H](C2)C3=O 587428008 MPHIQYBGYHLVGW-SJCJKPOMSA-N 299.301 2.892 0 1 CFAF NCc1ccc(-c2cnccc2-c2ccncc2)o1 1857537251 RVPFOIOJVYDSSG-UHFFFAOYSA-N 251.289 2.862 0 1 CFAF COc1ccc2nc(SC)c(C(C)=O)c(O)c2c1 1857644958 DJINEJHVXLOAPM-UHFFFAOYSA-N 263.318 2.874 0 1 CFAF CC[C@@H](C)CSC(=S)NCCCC[S@](C)=O 1857654463 PBJANPMKZXATOM-HWPZZCPQSA-N 281.512 2.799 0 1 CFAF COc1ccc(CNc2ncnc(Cl)c2/C=N/O)cc1 205645032 AADDMAHXAUJMIK-CNHKJKLMSA-N 292.726 2.559 0 1 CFAF CC(=O)c1ccc2ccccc2c1OP(=O)(O)O 13441036 DOJWRVYPUQKAIW-UHFFFAOYSA-N 266.189 2.514 0 1 CFAF c1cnc2c(c1)-n1cccc1C1(CCSCC1)NN2 13222879 OPYDHJXVIBXLMA-UHFFFAOYSA-N 272.377 2.525 0 1 CFAF O=C(O)C(=O)CC(=O)c1cccc(-c2ccccc2)c1 13674046 RBUSCVCLCFESHS-UHFFFAOYSA-N 268.268 2.580 0 1 CFAF COc1c([C@@H](O)c2ccccc2)ccc2c1OCO2 14589631 ZZAUTBBJBDOHMS-ZDUSSCGKSA-N 258.273 2.506 0 1 CFAF O=c1c(-c2cc(O)c3c(c2)OCO3)coc2cc(O)ccc12 14759065 BWIIKTOZYRGJBS-UHFFFAOYSA-N 298.250 2.600 0 1 CFAF in-vitro C[C@]12C=C[C@@](C)(O1)c1c2c(O)n(-c2ccccc2)c1O 169690165 GSNKZVJHKBUAPY-HZPDHXFCSA-N 269.300 2.919 0 1 CFAF CCCC(=O)NCC[C@@H]1CCc2cc3c(cc21)OCC3 13491269 JKKDRHOHRSUUCA-LBPRGKRZSA-N 273.376 2.958 0 1 CFAF Cc1cccc(Cn2cc(C(=N)S)c3c(N)ncnc32)c1 20404 KNHRGFXNFVXYQR-UHFFFAOYSA-N 297.387 2.625 0 1 CFAF C[C@H]1CCCC[C@H]1Nc1nc2ccccc2n2nnnc12 6752105 JLPJQNIJELYAMQ-WDEREUQCSA-N 282.351 2.663 0 1 CFAF C[C@@H]1CCC[C@@H](n2c(=O)[nH]c3cnc4[nH]ccc4c32)C1 118039207 LNIFDZTXVLQOGK-NXEZZACHSA-N 270.336 2.957 0 1 CFAF Cc1nn2c(=O)c3c4c(sc3nc2s1)CCCC4 28814857 HSNPGLNMBJOWJL-UHFFFAOYSA-N 277.374 2.553 0 1 CFAF CC(C)=CCc1ccc(O)c2c1[C@H](C[C@@H](O)[C@H](C)O)OC2 2356475611 JUJNVXXKTUEQPG-XZJROXQQSA-N 292.375 2.604 0 1 CFAF CCCN(CCC)CCc1ccc2c(c1)CC(=O)N2 28011453 RTQSAMVMLWUMFP-UHFFFAOYSA-N 260.381 2.846 0 1 CFAF CC(=O)c1ccc2[nH]c(-c3cccnc3)cc(=O)c2c1 66258781 PPHGEAMSSVITHL-UHFFFAOYSA-N 264.284 2.793 0 1 CFAF CC(=C[C@H](C)C[C@H](C)C(=O)O)[C@@H]1CC[C@@](C)([C@@H](C)O)O1 2356631418 BVFQDPRIMUDOQZ-DLPRDNSUSA-N 284.396 2.998 0 1 CFAF CC1(C)CCC[C@]2(C)[C@@H]3C(=CC[C@H]12)C(=O)O[C@@H]3OC=O 2356689732 WSUTVTBGLINLCL-HLSYRSCKSA-N 278.348 2.821 0 1 CFAF CC(C)c1nnc2n1N=C1c3ccccc3C[C@H]1S2 72118225 LSDSMBVDLIMIDP-LLVKDONJSA-N 270.361 2.684 0 1 CFAF Fc1ccc(-c2nc(CNCCN3CCCC3)co2)cc1 72184231 NDCTUAGGISSQSD-UHFFFAOYSA-N 289.354 2.666 0 1 CFAF C[C@@H]1C[C@@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1 40567458 PQJJJIPGQCKGDU-PWSUYJOCSA-N 294.347 2.511 0 1 CFAF COc1cccc2c1C[C@@H]1CCN(CC3CC3)[C@@H]1C2 45253717 ZZPRPPYBWAPLEI-GOEBONIOSA-N 257.377 2.894 0 1 CFAF COc1ccc(/C=C/[C@@H]2CC=CC(=O)O2)cc1OC 84708963 YCMUHJDHAJRIPV-WMADIVHISA-N 260.289 2.589 0 1 CFAF Cc1ccc2c(c1)[C@@H](CCO)O[C@@H]([C@@H](C)[C@H](C)O)[C@H]2C 238786369 MQZRYUHPQZOTGL-NTLKJNNPSA-N 278.392 2.938 0 1 CFAF CC(=O)O[C@@H]1C[C@@H](C)[C@H]2C[C@H]3CC[C@](C)(OC3)[C@H]12 238768005 RIOVTHASCWPDPA-NVHFRZMHSA-N 252.354 2.779 0 1 CFAF O=C(/C=C/c1ccc(Br)cc1)N1CCCC1=O 473127235 AQPRPWQVWYSAKI-VMPITWQZSA-N 294.148 2.611 0 1 CFAF CCc1nccnc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587394447 VAOAUZDLIQTKPZ-KRWDZBQOSA-N 297.358 2.810 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3nccn3c1)O2 587394148 QYCDOBGESMOKOV-HNNXBMFYSA-N 293.326 2.931 0 1 CFAF COc1cncc2nc(C(F)(F)c3ccccn3)[nH]c12 587089433 DAWJOORZWVSRSS-UHFFFAOYSA-N 276.246 2.502 0 1 CFAF CC[C@H]1C[C@]2(CCO1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587456754 XXXDZYURUOPNQJ-PPHDSNJXSA-N 288.343 2.770 0 1 CFAF Oc1nc2cc3nc([C@H]4C[C@@H]4C(F)(F)F)[nH]c3cc2[nH]1 587094026 ZSKAMHGSSBRBSM-WHFBIAKZSA-N 282.225 2.811 0 1 CFAF O=C(O)Cc1ccc(Cc2nc3cccc(F)c3[nH]2)cc1 587961661 MYAKCRQJCAQUIJ-UHFFFAOYSA-N 284.290 2.920 0 1 CFAF C[C@@H](O)c1ncc(-c2nc3ccc(Cl)nc3[nH]2)s1 587022819 ZKEKKGKSUNFNMV-RXMQYKEDSA-N 280.740 2.788 0 1 CFAF CSCC(C)(C)c1nc2ccc(C(=O)O)cc2[nH]1 586968958 LAFMWDZIUWLAPB-UHFFFAOYSA-N 264.350 2.902 0 1 CFAF Cc1cnc2[nH]c([C@]3(N)C[C@H]3c3ccccc3F)nc2c1 587154348 DOZSRXROUKZWAJ-ZBEGNZNMSA-N 282.322 2.747 0 1 CFAF COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O 587400339 QSAXKNZNMSBNIA-HNNXBMFYSA-N 299.326 2.998 0 1 CFAF CC[C@@H]1OCCC[C@@H]1c1nc2ccc(OC)nc2[nH]1 586908175 BXIXZKHNOOMPLV-ONGXEEELSA-N 261.325 2.639 0 1 CFAF Nc1cc2nc(CNc3ccccc3Cl)[nH]c2cc1N 587061919 LLLMHZCFDSJLGP-UHFFFAOYSA-N 287.754 2.993 0 1 CFAF Oc1nc(O)c2ccc(CCC3CCCC3)nc2n1 587560489 CKZSYLZTJYZNFW-UHFFFAOYSA-N 259.309 2.559 0 1 CFAF O=C1C[C@H](c2cc[n+]([O-])cc2)Oc2c1ccc1c2CCCC1 587514437 YDRCTFHRMIDNLO-QGZVFWFLSA-N 295.338 2.905 0 1 CFAF CC(C)(Cl)c1nc2nc(Br)c[nH]c-2n1 587008580 MNRVZZMDQVZCIG-UHFFFAOYSA-N 275.537 2.541 0 1 CFAF COc1cncc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c12 587243809 INSFYOZGRCTGBX-BQYQJAHWSA-N 294.314 2.618 0 1 CFAF COc1cc(OC)cc([C@@]2(C)NCCc3c(C)ccnc32)c1 963067361 JPUVHWIGEXWIHQ-GOSISDBHSA-N 298.386 2.816 0 1 CFAF COc1ccccc1-c1cc(=O)c2c(C)ccnc2[nH]1 5504161 XIXVOSMVHPVEEW-UHFFFAOYSA-N 266.300 2.907 0 1 CFAF Cc1ccc2oc(=O)c(CC(=O)c3ccccc3)nc2c1 18119806 HBEGKWQVPODIOK-UHFFFAOYSA-N 279.295 2.922 0 1 CFAF CO[C@]12C=C[C@H](CC1=O)c1c(F)c(F)c(F)c(F)c12 1504622 HTGDEGJCHPJUJS-OLZXVPHOSA-N 272.197 2.711 0 1 CFAF CCOC(=O)[C@H]1[C@H]2C=C[C@@H](CC2)N1c1ccccc1 101766638 NLRFKXAWPLOXQO-AEGPPILISA-N 257.333 2.773 0 3 CFAF c1ccc2c(C3(Cn4ccnc4)OCCO3)cccc2c1 27855347 AHHVQLWDGKTGLT-UHFFFAOYSA-N 280.327 2.936 0 1 CFAF O=C1C=CC[C@@H](C/C=C/[C@H](O)CCc2ccccc2)O1 64391086 MAAVAEOPUSPYQO-NBZFBGEYSA-N 272.344 2.798 0 1 CFAF O=C(O)c1cn2c(cc(Br)c3ccccc32)n1 39281645 GSSYWWDQNBLXCP-UHFFFAOYSA-N 291.104 2.948 0 1 CFAF CC(C)N(CCO)CCC(=O)c1ccc(Cl)s1 45351306 ADCVOISDSRYKES-UHFFFAOYSA-N 275.801 2.677 0 1 CFAF COc1ccc(-c2c(O)[nH]c(CC(C)C)cc2=O)cc1 653793873 JDXGNUBPANUAEL-UHFFFAOYSA-N 273.332 2.955 0 1 CFAF COc1cc2[nH]c(-c3cccnc3N(C)C)nc2cc1F 587195131 BSITYLSJPWRPGY-UHFFFAOYSA-N 286.310 2.839 0 1 CFAF c1ccc2c(c1)CC[C@]21C[C@H]1c1nc2cncnc2[nH]1 586885386 BHVNQZSUZRVDSN-LRDDRELGSA-N 262.316 2.724 0 1 CFAF CCOCCOCc1nc2ccc3nc(C)ccc3c2[nH]1 587778122 HRQUBHOVTWOUEF-UHFFFAOYSA-N 285.347 2.973 0 1 CFAF O=C(O)/C=C/C=C\c1nc2cc(Br)ccc2[nH]1 587965956 QVUZXMVFXDLEEQ-HSFFGMMNSA-N 293.120 2.979 0 1 CFAF Cc1ccc2nc([C@H](N)Cc3cscn3)[nH]c2c1 587029214 LFWYSNZETRXKMF-SNVBAGLBSA-N 258.350 2.570 0 1 CFAF Cc1cc2nc(C[S@](=O)CC3CC3)[nH]c2cc1C 586959677 OYEZQQPGVPJGDH-GOSISDBHSA-N 262.378 2.838 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3nonc13)O2 587396322 ZGYYZSTVFPQELD-CQSZACIVSA-N 295.298 2.820 0 1 CFAF Cc1ccnc2[nH]c(CCc3cccc(O)c3)nc12 586896467 RJGFELQMYWRUTG-UHFFFAOYSA-N 253.305 2.757 0 1 CFAF COC(=O)c1nccc2c1[nH]c1cc(OC)ccc12 14445289 GGTFWDPYRXONGD-UHFFFAOYSA-N 256.261 2.511 0 1 CFAF Nc1ncc(OCc2c(Cl)cccc2Cl)c(N)n1 13532413 CUPZKSSPYUFLOD-UHFFFAOYSA-N 285.134 2.527 0 1 CFAF CN1[C@H]2CCC[C@@H]1[C@@H](OC(=O)Nc1ccccc1)C2 13834359 CWGOEBCFAFOITL-MJBXVCDLSA-N 260.337 2.860 0 1 CFAF Cc1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2[C@H]2C[C@H]23)c1 169306392 SGZYQAYFUHQODN-KLOLGFOXSA-N 297.354 2.702 0 3 CFAF C[C@@H]1CCNCC(=O)N1c1ccc(Cl)c(Cl)c1 205367837 VSWZYTCVZXXESF-MRVPVSSYSA-N 273.163 2.708 0 1 CFAF CC(=O)C[C@@H]1O[C@@H](C)[C@H](C)c2c(C)c(O)cc(O)c21 2356419228 KQJUPJPMSHSUKV-FWDPORAESA-N 264.321 2.949 0 1 CFAF O=C(c1ccc(F)cc1F)c1ccc2n1CC[C@H]2C(=O)O 25994880 AGRMEOPXYBLKBO-SNVBAGLBSA-N 291.253 2.569 0 1 CFAF OC1=C(O)c2nc3cc(C(F)(F)F)ccc3nc21 101824051 SFFXAQKCXWVXLW-UHFFFAOYSA-N 254.167 2.904 0 1 CFAF COCc1cc(O)n2nc(-c3ccc(C)cc3)cc2n1 101966820 QKSTVJUYBYJJDQ-UHFFFAOYSA-N 269.304 2.557 0 1 CFAF CC1(C)[C@H]2CC[C@@H]3CCC[C@@H]4[C@@H](O)C(C(=O)O)=C(C2)[C@@]341 2356504602 XJERJSQMJZUBLS-CQMLUVKDSA-N 276.376 2.985 0 1 CFAF COC(=O)C(C)=CC[C@]12CCN(C)[C@@H]1Nc1ccccc12 2356572633 IENBNBOKQXSCQE-DLBZAZTESA-N 286.375 2.521 0 1 CFAF CN1[C@H]2CC[C@@H]1C[C@H](c1ccccc1)[C@H]2/C=C/CO 36177307 BAROFIYZXNPKFU-FMRHRKDTSA-N 257.377 2.801 0 1 CFAF CC[C@@H](C[C@H]1COC(N)=N1)c1cc(F)cc(F)c1 149324702 SGBNJJRVZMBCKI-UFBFGSQYSA-N 254.280 2.562 0 1 CFAF N[C@H](C(=O)NCc1ccccc1)c1ccc2ccccc2n1 84652098 UHWZUCHXQOLOII-KRWDZBQOSA-N 291.354 2.551 0 1 CFAF Cc1ccc([C@@H]2SCC(=O)N2C2=CCCN(C)C2)cc1 95565908 HQFUVVNDVHPTLL-INIZCTEOSA-N 288.416 2.788 0 1 CFAF COc1ccc([C@@H]2N(C)Cc3cc(O)ccc3N2C)cc1 653725579 OSKRSHSETOXOBQ-QGZVFWFLSA-N 284.359 2.981 0 1 CFAF c1cc2c3c(c4c(nc3c1)CC[C@H](n1cnnc1)C4)CC2 587210969 JCYAQZGMOVPDGO-LBPRGKRZSA-N 276.343 2.655 0 1 CFAF Cc1ccc(C)c2[nH]c([C@H]3CC(=O)OC3(C)C)nc12 586908258 JNXQGCVQUQTJQO-SNVBAGLBSA-N 258.321 2.989 0 1 CFAF [O-][n+]1ccccc1SCc1nc2c(Cl)ccnc2[nH]1 586968580 AQMDKZXBXAEEPK-UHFFFAOYSA-N 292.751 2.537 0 1 CFAF CCOCc1ccc(-c2nc3nc(Cl)c[nH]c-3n2)o1 586902366 DNLSZZJJNLKOFI-UHFFFAOYSA-N 278.699 2.754 0 1 CFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CCO[C@@H]21 587484523 GRDJCJXZKBDSOG-POJUEXTFSA-N 288.343 2.858 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccncc1F)O2 587387789 WZDIVTVWYQAFFK-INIZCTEOSA-N 286.306 2.992 0 1 CFAF N=c1cc2nc([C@H]3Cc4ccccc4S3)[nH]c2c[nH]1 587042452 JZYLTOWJVAFRCO-GFCCVEGCSA-N 268.345 2.760 0 1 CFAF CCc1nccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587435393 FRVNKNPUGUTWLE-DIFFPNOSSA-N 296.326 2.536 0 1 CFAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1C(C)C 407588 XHSJKHIETGLBSP-GYXQTMOZSA-N 267.325 2.596 0 1 CFAF Cc1ccoc1-c1ccccc1OCC1=NCCN1 13437854 RKVMBHNDKVMNKU-UHFFFAOYSA-N 256.305 2.636 0 1 CFAF CC(=O)Nc1ccc2c(c1)S(=O)(=O)c1ccccc1O2 13737659 UDGYRIOMUQXYGQ-UHFFFAOYSA-N 289.312 2.584 0 1 CFAF c1n[nH]c(-c2ccc3[nH]nc(-c4ccoc4)c3c2)n1 164797249 KEHKAOQSTMTJPU-UHFFFAOYSA-N 251.249 2.608 0 1 CFAF CCCN1CCO[C@@H]2c3c(ccc4[nH]ccc34)OC[C@H]21 1857587963 KCKPUTXKJBHHRZ-CJNGLKHVSA-N 272.348 2.712 0 1 CFAF CC(=O)NCC1=C(c2ccccc2)Oc2ccccc2O1 13781813 PCAROWLBTADWQM-UHFFFAOYSA-N 281.311 2.963 0 1 CFAF O=C1c2cccc(O)c2CC[C@H]1Cc1ccncc1 13824074 DAOQXQRTKZYREH-LBPRGKRZSA-N 253.301 2.775 0 1 CFAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C/c1ccccc1 100816449 XTYJQBUILMRWGE-APPGBLGFSA-N 283.371 2.726 0 1 CFAF CO[C@@H](CC(=O)c1ccc(Cl)c(Cl)c1)C(=O)O 26730663 QWBKNCDBZDJXIY-JTQLQIEISA-N 277.103 2.666 0 1 CFAF O=c1c(-c2ccccc2)c(CO)oc2ccccc12 66066302 QMMJTZRPKGCCOS-UHFFFAOYSA-N 252.269 2.952 0 1 CFAF O=C(O)C(=O)CC(=O)c1ccsc1Cc1ccccc1 27555023 HTGWIZWPKBPISH-UHFFFAOYSA-N 288.324 2.565 0 1 CFAF O=C(NCCc1ccccc1)n1sc2ccccc2c1=O 38355331 OXBHNTRYFLKEBQ-UHFFFAOYSA-N 298.367 2.863 0 1 CFAF CC(C)C(=O)N1Cc2ccccc2C[C@]2(CCCN2C)C1 71990541 AWRDMMBKLQAZBE-GOSISDBHSA-N 286.419 2.692 0 1 CFAF FC(F)(F)C[C@H]1CN2CCNCc3cccc1c32 1911577646 RJTYUQILGKNDIK-JTQLQIEISA-N 256.271 2.646 0 1 CFAF Cc1nc(N(C)C)ncc1-c1nc2ccc(F)c(F)c2[nH]1 587195555 XGNIVPGGPOJERI-UHFFFAOYSA-N 289.289 2.673 0 1 CFAF CC(C)(C)c1ccc2nc(C[S@](=O)CC3CC3)[nH]c2n1 586958895 JXVNVRPUSPGWMT-HXUWFJFHSA-N 291.420 2.914 0 1 CFAF Cc1cc(C)cc(OCc2nc3ncc[nH]c-3n2)c1 587564660 NYSQDOVJVHFGSF-UHFFFAOYSA-N 254.293 2.500 0 1 CFAF CC[C@H](Oc1ccccc1F)c1nc2c(N)ncnc2[nH]1 587155889 OBFARKSRUKRCCP-VIFPVBQESA-N 287.298 2.604 0 1 CFAF C[C@@H](N=O)[C@]1(c2ccccc2)NCCc2ccc(O)cc21 963352624 MQDWWYYGDUUDDM-SJKOYZFVSA-N 282.343 2.936 0 1 CFAF C[C@@H]1SC(c2ccccc2)=N[C@H]1Cc1cnc[nH]1 1857762391 OFXSSUCHCSBXFS-GWCFXTLKSA-N 257.362 2.903 0 1 CFAF C[C@H](N=[S@@]1(=O)NC(=O)c2ccccc21)c1ccccc1 1772586128 MVSWAKVNYQYIOC-PRWKNARSSA-N 286.356 2.933 0 1 CFAF COC[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772636099 OGWFOHHYARRXBX-XYPYZODXSA-N 285.351 2.526 0 1 CFAF Cc1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)O)[C@@H]2C[C@H]32)c1 13111037 SGZYQAYFUHQODN-IBPCWRJOSA-N 297.354 2.702 0 1 CFAF CCCSc1nsnc1C1=CCCN(C)C1 13456704 RZCFZRYCCGLCRP-UHFFFAOYSA-N 255.412 2.759 0 1 CFAF O=C([C@H]1C[C@H]2C=C[C@@H]1C2)N1CCN(c2ccccc2)CC1 169350167 XFIHTPPEWXZMBK-UXLLHSPISA-N 282.387 2.547 0 1 CFAF CC(C)CCNS(=O)(=O)c1ccc(-c2cnco2)cc1 169350814 KCFWRQNKLLXVLQ-UHFFFAOYSA-N 294.376 2.666 0 1 CFAF CC(=O)N1O[C@@H](C)C[C@H]1Nc1ccc(Br)cc1 1636390 VMOBFJZZRBPCOR-UFBFGSQYSA-N 299.168 2.759 0 1 CFAF Cc1cc(=O)n2[nH]c(-c3cccc(Cl)c3)cc2n1 103904284 HKDOMFTZBNBVHI-UHFFFAOYSA-N 259.696 2.651 0 3 CFAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(C)c(F)c1)N2C 101025867 ZIXPADCAHDMWPA-DARAHFNDSA-N 291.366 2.873 0 1 CFAF CO[C@@H](c1c[nH]cn1)c1cscc1Br 27988282 DIJUNOIRAPJYNT-SECBINFHSA-N 273.155 2.970 0 1 CFAF CNC(=N)NCCCCCCCCCCCC(=O)OC 28572202 SOTILKYKTIOQFO-UHFFFAOYSA-N 285.432 2.804 0 1 CFAF COc1ccc2c(c1)O[C@@H]1[C@@H]3C=C[C@@H](OC)C=C3OC[C@@H]21 2356653051 YVFBXUBMCJCKQZ-MJRMRKOOSA-N 286.327 2.655 0 1 CFAF Cc1ccc2c(c1)n(O)c(C)c(C(=O)c1ccccc1)[n+]2=O 198660065 MIQVBAPOHKRTEV-UHFFFAOYSA-N 295.318 2.641 0 1 CFAF CNC[C@H]1OCc2ccccc2[C@@H]1Oc1ccccc1OC 40974918 VBCNPTPFVJBMLY-MSOLQXFVSA-N 299.370 2.934 0 1 CFAF CO[C@]12C[C@H](CO1)C(CO)=C1CC(C)(C)C[C@@H]1[C@@H]2C 238774246 QFXZTMBMDJGLJW-XSUJLISDSA-N 266.381 2.740 0 1 CFAF Cc1ccccc1[C@@H]1N(c2ccccn2)C(=O)[C@@H]2CCCN21 251154270 IRYWOGQGJFDHTB-RDJZCZTQSA-N 293.370 2.900 0 1 CFAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2c[nH]c(=N)[nH]c-2n1 587951952 KLIKVXFCIFVFRQ-UMNHJUIQSA-N 289.383 2.763 0 1 CFAF Clc1cc2nc(CC3OCCO3)[nH]c2cc1Cl 586908094 LZKKOWFVTNYWSE-UHFFFAOYSA-N 273.119 2.785 0 1 CFAF CN[C@@H](c1cccnc1)c1nc2cc(C)cc(C)c2[nH]1 587224197 QKRUAZUCVVCFFN-HNNXBMFYSA-N 266.348 2.884 0 1 CFAF CC[C@@H](Oc1ccccc1F)c1nc2cnnc(O)c2[nH]1 587156602 XHVCPYPWMOSGKW-SNVBAGLBSA-N 288.282 2.728 0 1 CFAF Cc1c(-c2nc3ncccc3[nH]2)oc2c1[C@@H](O)CCC2 586904427 WJMNYQPYUIKVDK-JTQLQIEISA-N 269.304 2.896 0 1 CFAF COc1ccc(Cl)c2c1CCN[C@@H]2c1ncco1 963256194 BOYHUYDOGTUMPQ-LBPRGKRZSA-N 264.712 2.572 0 1 CFAF S=C1Sc2cc(Cl)ccc2C2=NCCN12 1857542349 OIJOGIXKKXNSED-UHFFFAOYSA-N 254.767 2.793 0 1 CFAF O=c1cc(CCc2ccccc2O)oc2ccc(O)cc12 14455455 WSKFJNGZYYOXNY-UHFFFAOYSA-N 282.295 2.989 0 1 CFAF biogenic,in-vitro CCOc1ccc2c(=O)cc(-c3ccccc3)[nH]c2n1 13579528 XFBOFPZZZNBLGG-UHFFFAOYSA-N 266.300 2.989 0 1 CFAF CCCC[C@@]12C[C@@]1(C(N)=O)C(=O)Nc1ccc(Cl)cc12 101056218 XGIVVAMNUVRXLF-LSDHHAIUSA-N 292.766 2.596 0 1 CFAF CCCCN1C(=O)CC[C@@](CC)(c2ccncc2)C1=O 29332119 ADGORZBWFVODME-INIZCTEOSA-N 274.364 2.679 0 1 CFAF CN1CCN(C2=Cc3ccccc3Cn3cccc32)CC1 28119505 KCYDZGZXAVPYDV-UHFFFAOYSA-N 279.387 2.595 0 1 CFAF S=C1CCCN2C=C(Br)SC2=N1 103027914 GQYOGHMCHYEXBE-UHFFFAOYSA-N 263.185 2.706 0 1 CFAF CCCc1nnc2n1N=C(c1ccccc1)[C@@H](OC)S2 103174344 BNKRFOKYMSODQM-ZDUSSCGKSA-N 288.376 2.561 0 1 CFAF CC=C1CN2CC[C@]34C=C(CO)[C@H]1C[C@@]23Nc1ccccc14 2356510653 HICMXDKNSCMBDU-KFKAGJAMSA-N 294.398 2.650 0 1 CFAF ON(c1cnn2ccccc12)c1cnn2ccccc12 2356842583 MVYBGCQQFFMERB-UHFFFAOYSA-N 265.276 2.509 0 1 CFAF O=C(CCc1ccc(Cl)c(Cl)c1)CC(=O)C(=O)O 38143411 GBTUEYDIOPNXQE-UHFFFAOYSA-N 289.114 2.539 0 1 CFAF CCCC[C@H](O)/C=C(C)/C=C/C=C/C(=O)N1CCCC1=O 33838909 ZYPGADGCNXOUJP-DMALXZFGSA-N 291.391 2.745 0 1 CFAF Nc1ccc2c(c1)[N+]([O-])=C(c1ccc(Cl)cc1)C2=O 221147337 NDPKVEHAJRYUCK-UHFFFAOYSA-N 272.691 2.750 0 1 CFAF Cc1cnc(N2CCC[C@H]2C)nc1NCCc1ccccn1 82202091 NMMIGDJGFAVLQY-CQSZACIVSA-N 297.406 2.823 0 1 CFAF Nc1cc(C(=O)N2CCCC2)cc(C(F)(F)F)c1 148251701 FSEYMWUWGGSLIG-UHFFFAOYSA-N 258.243 2.524 0 1 CFAF OCc1cc(-c2c[nH]nc2-c2ccc(F)cc2)ccn1 95920746 RKBVIYAYFDBXIL-UHFFFAOYSA-N 269.279 2.770 0 1 CFAF in-vitro C[C@H]1[C@H]2OC[C@](C)(C[C@H]2C)[C@@]12O[C@H](C)[C@H](C)[C@@H](O)[C@H]2C 238780852 JVXCLXYHRVUZGU-VANNOALNSA-N 282.424 2.858 0 1 CFAF O=C(O)c1cc2[nH]c(-c3ccccc3)nc2cc1O 473085001 VFSBVKQYHLFCFO-UHFFFAOYSA-N 254.245 2.634 0 1 CFAF Clc1cnc2[nH]c([C@@H]3CCOC3)nc2c1Cl 586912789 VVFRVAJHJLDFDC-RXMQYKEDSA-N 258.108 2.769 0 1 CFAF Oc1ccc(C2(c3nc4nc(Cl)c[nH]c-4n3)CC2)cc1 586896723 WBVDBXJRTINTBX-UHFFFAOYSA-N 286.722 2.743 0 1 CFAF Nc1ncccc1Cc1nc2cc(Cl)nc(Cl)c2[nH]1 587254436 TYKXRGGVIYFRPM-UHFFFAOYSA-N 294.145 2.833 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)no1)O2 587395029 NGGJSCNHLVSSLV-LBPRGKRZSA-N 258.277 2.580 0 1 CFAF CCCC[C@@]1(C(C)=O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445549 LBAVJAQABIOSRQ-DYVFJYSZSA-N 288.343 2.961 0 1 CFAF COc1cc2nc([C@@H](N)C(C)(C)C)[nH]c2cc1F 587257486 BOEGKCYOSADIIW-LLVKDONJSA-N 251.305 2.757 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1csc(C)n1)[C@@H](C2)C3=O 587450926 MEJVHAWTNSCRSO-BONVTDFDSA-N 287.340 2.949 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(CC[C@H]4C[C@H]41)[C@@H](C2)C3=O 587446832 GOONRPYVMTWCKW-PCUBFUGWSA-N 256.301 2.611 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](CCC(=O)OC)CC2=O 587484170 YOEBFUJKFFZDEJ-JTQLQIEISA-N 292.331 2.632 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(CSC[C@@H]1C)[C@@H](C2)C3=O 587452897 OEQIZXGMQSPRGF-PEGZWESCSA-N 276.357 2.564 0 1 CFAF COc1ccc([C@@]2(C)NCCc3c(C)ccnc32)cc1F 963078156 XLPBZELQIKELEQ-QGZVFWFLSA-N 286.350 2.947 0 1 CFAF CCN(CC)C(=O)C[C@]1(C)NCCc2cc(C)c(F)cc21 962095100 VHGHOXLSHXAIDM-KRWDZBQOSA-N 292.398 2.754 0 1 CFAF COc1ccc(-c2cc3cccc(C)c3oc2=O)nn1 1857763858 BUALHDCNMDZXGT-UHFFFAOYSA-N 268.272 2.567 0 1 CFAF O[C@@H](C[C@H]1c2ccccc2-c2cncn21)c1ccncc1 203791325 RLYSBDKKQFJXQY-RDJZCZTQSA-N 277.327 2.972 0 1 CFAF CNc1nn2cc(-c3c(F)cccc3F)nc2s1 1772585575 YGZJVSZAYHAKCR-UHFFFAOYSA-N 266.276 2.778 0 1 CFAF COc1c(O)c2c(c(O)c1C(C)=O)C[C@H](C(C)C)CO2 14691914 JHOZYLIDZVJHSD-VIFPVBQESA-N 280.320 2.516 0 1 CFAF CN1CCC(OC(=O)CCCc2ccccc2)CC1 169324910 DTPWOWAPDKXUNR-UHFFFAOYSA-N 261.365 2.647 0 1 CFAF Cc1cccc2c(=O)[nH]c(-c3ccc(C(=O)O)cc3)nc12 27564704 YCXXVOXHBFKJPC-UHFFFAOYSA-N 280.283 2.597 0 1 CFAF FC(F)(F)c1nnc2ccc(-c3ccccc3)nn12 27706890 WCZVDXSSHBCXPA-UHFFFAOYSA-N 264.210 2.810 0 1 CFAF CSC1=NCCN1C(=O)c1ccccc1Br 429388 CENPYKCIRQYHAE-UHFFFAOYSA-N 299.193 2.624 0 1 CFAF CN(C)c1ccc(-c2ncnn2-c2cccc(O)c2)cc1 758138 KHVNPZUGTWQMDR-UHFFFAOYSA-N 280.331 2.706 0 1 CFAF CN1CCc2cc(N)cc3c2[C@@H]1Cc1ccc2c(c1-3)OCO2 1657591 GFLPGNFIZZGPRP-AWEZNQCLSA-N 294.354 2.750 0 1 CFAF FC(F)(F)c1ccnc(-n2cc(-c3cccnc3)cn2)n1 3832022 NTASGWWLMRDCAP-UHFFFAOYSA-N 291.236 2.743 0 1 CFAF COC(=O)N1CCC2(CC1)CCN(c1ccccn1)CC2 3955900 PIAFHSWCJQMPCV-UHFFFAOYSA-N 289.379 2.530 0 1 CFAF CC1CCN(C(=O)Nc2cn(C)c(=O)c3ccccc23)CC1 6931826 VDWSBYJVRHEHEM-UHFFFAOYSA-N 299.374 2.802 0 1 CFAF Cc1ccc(CC/N=c2/c(-c3ccccc3)c(O)c2=O)cc1 103535614 MBMKDGGMHBENNP-JZJYNLBNSA-N 291.350 2.747 0 1 CFAF CNc1sc2c(C)c(O)c3ccccc3c2[n+]1C 27730299 RTFAFIVJQZHYQF-UHFFFAOYSA-O 259.354 2.935 0 1 CFAF F[C@H]1C[C@H]2C[C@@H]1C[C@@H]2n1cnc2c(Cl)ncnc21 49807813 ADQVHQFTPPZJOM-HXFLIBJXSA-N 266.707 2.789 0 1 CFAF CCCC[n+]1cccc2c1CC[C@@H]1CC[C@@H](O)C[C@H]21 40663011 FVGWACKJRIODEP-LZWOXQAQSA-N 260.401 2.965 0 1 CFAF Fc1ccccc1Oc1cc(NC[C@H]2CCCO2)ncn1 82067852 QJSOAOUUNPNWAE-LLVKDONJSA-N 289.310 2.999 0 1 CFAF COc1c(O)cc2c(c1OC)-c1c(O)ccc(O)c1CC2 42921751 NLKJYEXGUVVXMN-UHFFFAOYSA-N 288.299 2.586 0 1 CFAF C[C@H]1CC[C@H]2[C@H](CC(=O)O)[C@]1(C(=O)O)CC2(C)C 85943250 QOWHOVXXTGRTKU-QSDJMHMYSA-N 254.326 2.624 0 1 CFAF COC(=O)C1=C[C@@H]2[C@@H](O)C(C)(C)C[C@]23[C@H](C)CC[C@@H]13 238754275 ZOFNLFXDQSATBP-TUJLLHNGSA-N 264.365 2.539 0 1 CFAF CC(=O)NC/C=C1\CCc2ccc3nc(C)oc3c21 96174389 AGFPOHCQQFJZBW-KPKJPENVSA-N 256.305 2.602 0 1 CFAF C=C(NC(C)=O)c1nc2cc(Cl)cc(Cl)c2[nH]1 587202658 GBEVFCWELOTIQK-UHFFFAOYSA-N 270.119 2.977 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn3ccccc3n1)O2 587393288 FFFAXXCIQWSJPR-HNNXBMFYSA-N 293.326 2.931 0 1 CFAF Nc1c(F)cc(-c2nc3ccc(O)cc3[nH]2)cc1F 587134720 LEOPBTAKHUMUTF-UHFFFAOYSA-N 261.231 2.796 0 1 CFAF NC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 587242325 QMQFYUHHLNWSLT-UHFFFAOYSA-N 252.277 2.721 0 1 CFAF Oc1nc(O)c2cc(CC3CCCCC3)cnc2n1 587561779 KZWSVGLBPXULBZ-UHFFFAOYSA-N 259.309 2.559 0 1 CFAF CCC[C@]1(CC(=O)OC)CC(=O)c2cc(C)cc(N)c2O1 587399907 NLBFHIDCBSDJGN-MRXNPFEDSA-N 291.347 2.644 0 1 CFAF Cc1ccc2c(ccc3nc([C@@H](O)C4CCOCC4)[nH]c32)n1 586915897 JCVNSKPZSWVQBG-INIZCTEOSA-N 297.358 2.880 0 1 CFAF C[C@H]1CN(C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517412 MTKWLLZQFAWLSV-KPZWWZAWSA-N 285.387 2.851 0 1 CFAF FC(F)(F)[C@](F)(Cl)c1nc2cnccc2[nH]1 587090605 SQKSVAHKHHGTEY-ZETCQYMHSA-N 253.586 2.881 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(CCc4c[nH]cc41)[C@@H](C2)C3=O 587437131 DHBRWLXKAMGERM-SJCJKPOMSA-N 281.311 2.612 0 1 CFAF O=C1OC(=C(Br)Br)[C@H]2CCC[C@H]12 1857760767 HWEHMLZFXACQFH-WHFBIAKZSA-N 295.958 2.918 0 1 CFAF N[C@H](Cc1cc(Cl)cc(-c2ccc(O)cc2)c1)C(=O)O 1857754632 QTGVPUWFPIEONA-CQSZACIVSA-N 291.734 2.667 0 1 CFAF Cc1nn(CC(=O)N2CCC(C)CC2)c2ccccc12 6767974 DKDFHXMRDVEGKJ-UHFFFAOYSA-N 271.364 2.603 0 1 CFAF C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Sc1nncs1 7735934 BOGLQABICGZLGB-AEJSXWLSSA-N 285.438 2.714 0 1 CFAF CN1C(=S)N(c2ccccc2)NC(=O)c2ccccc21 103187943 LNRQDQSYKSMVJR-UHFFFAOYSA-N 283.356 2.573 0 1 CFAF Cc1cccc([C@@H]2N(c3nccs3)C(=O)[C@H]3CCCN23)c1 59814402 TWVRKYZBBYRSFS-KGLIPLIRSA-N 299.399 2.961 0 3 CFAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4NC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2O 29404384 SXIPXKUAHBNRLJ-ITAZNGGLSA-N 291.435 2.869 0 1 CFAF O=Cc1c(O)cc(O)cc1C=Cc1ccc(O)cc1 2356703848 WZMWXKORXPKGKP-UHFFFAOYSA-N 256.257 2.786 0 1 CFAF CCOC(=O)c1c(O)cccc1CCCCCCO 71295076 WBNXDWXBGOXZCX-UHFFFAOYSA-N 266.337 2.664 0 1 CFAF Oc1cccc(-c2nc(N3CCCCC3)c3nc[nH]c3n2)c1 45392983 HBKAYDPFQWXZQU-UHFFFAOYSA-N 295.346 2.716 0 1 CFAF N#CN1CC(Oc2ccc(-c3ccccc3)cc2)C1 1911571558 VANZAPKLXBKRIN-UHFFFAOYSA-N 250.301 2.898 0 1 CFAF Oc1ccc(CNCCNc2nc3ccccc3o2)cc1 84635884 WCONDAONWPLBHF-UHFFFAOYSA-N 283.331 2.735 0 1 CFAF C[C@H]1C[C@@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1 40567460 PQJJJIPGQCKGDU-JQWIXIFHSA-N 294.347 2.511 0 1 CFAF COc1cc2c(cc1O)[C@H](c1ccccc1)CNCC2 34487813 KJTCMLYTSGLTBF-HNNXBMFYSA-N 269.344 2.678 0 1 CFAF Cc1cnc2c(NS(=O)(=O)c3cccnc3)cccc2c1 141817141 CBSMSKDYZYLFAC-UHFFFAOYSA-N 299.355 2.739 0 1 CFAF O=C(Cc1ccccc1)n1sc2ccccc2c1=O 299826560 MIRPJNSLZMOWQE-UHFFFAOYSA-N 269.325 2.946 0 1 CFAF CC[C@@]1([C@@H](C)CN(C)C)CC(=O)c2cc(C)cc(N)c2O1 587384913 ACBOCYHNLSVNGC-SJCJKPOMSA-N 290.407 2.889 0 1 CFAF CC(C)(Cl)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587008281 MZNUIURXQBECMO-UHFFFAOYSA-N 263.728 2.922 0 1 CFAF FC(F)Oc1ccc(-c2nc3cnncc3[nH]2)cc1 587130467 KKUVJNYSMSIUHV-UHFFFAOYSA-N 262.219 2.621 0 1 CFAF CCS(=O)(=O)c1ccc2nc(C(C)(C)Cl)[nH]c2c1 587009132 XADBWPNFXKACHU-UHFFFAOYSA-N 286.784 2.830 0 1 CFAF C=C(NC(C)=O)c1nc2ccc(Br)c(F)c2[nH]1 587203362 MMUOECSNLJRAPY-UHFFFAOYSA-N 298.115 2.571 0 1 CFAF O=C1C[C@]2(CN3CCC2CC3)Oc2c1ccc1c2CCCC1 587523030 GBDQCPOBOIVQRQ-LJQANCHMSA-N 297.398 2.995 0 1 CFAF c1ccc(-c2cccc3c2[C@@H](c2cnn[nH]2)NCC3)cc1 962670219 QUQPWFXPYZVJMS-QGZVFWFLSA-N 276.343 2.707 0 1 CFAF CCCOc1c(C(=O)c2ccccc2)cnc2[nH]ncc12 13488408 PSYXCQFSMTXEPN-UHFFFAOYSA-N 281.315 2.978 0 1 CFAF CO[C@@]1(C(=O)c2cc(O)c(C)c(O)c2)CCC[C@H](C)O1 2356359952 WEKNWYDAJJMTCQ-VFZGTOFNSA-N 280.320 2.521 0 1 CFAF CC(=O)c1ccc(N2C(=O)c3cccc(C)c3C2=O)cc1 58631919 RQFQRVRMHYMTAU-UHFFFAOYSA-N 279.295 2.998 0 1 CFAF in-vitro O=C(O)CSc1nccc(-c2ccc(Cl)cc2)n1 100898607 GZLCTIDFNUNGRK-UHFFFAOYSA-N 280.736 2.974 0 1 CFAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1cccc(F)c1 2356300130 BBTJFAIHXNBDPP-WWGRRREGSA-N 290.382 2.676 0 1 CFAF Cc1nc2ncnn2c2c1CCN2C1CCCCCCC1 28008695 WZUGTNAUUYWHMN-UHFFFAOYSA-N 285.395 2.908 0 1 CFAF CC(=O)OC=C(C)[C@H]1CC[C@H](C)C1=COC(C)=O 2356543802 XWSAKQNRGFHFHM-TVQRCGJNSA-N 252.310 2.946 0 1 CFAF CCc1cc(CCC2=N[C@H]3CCCC[C@H]3O2)c(=O)[nH]c1C 28088123 IAXQRZNSWJVLEQ-LSDHHAIUSA-N 288.391 2.918 0 1 CFAF Cc1ccc(C2=NS(=O)(=O)c3ccccc32)cc1 73160792 XPLPZTWVLNDRLM-UHFFFAOYSA-N 257.314 2.535 0 1 CFAF CC[C@@H](COC)NCc1coc(-c2cccc(F)c2)n1 72182329 AMRJVXAXUWZJEK-ZDUSSCGKSA-N 278.327 2.995 0 1 CFAF COc1ncc(C(=O)c2ccc(Cl)cc2)c(O)c1OC 49049878 BOWNKALAWXNHRQ-UHFFFAOYSA-N 293.706 2.689 0 1 CFAF Clc1ccc(-c2cn([C@H]3CN4CCC3CC4)nn2)cc1 220703955 KQGNKAAITKKYII-HNNXBMFYSA-N 288.782 2.865 0 1 CFAF CCCCCCN1C(=O)CS[C@@H]1C1=CCCN(C)C1 45299269 GMGVHBZHWKUYNH-OAHLLOKOSA-N 282.453 2.730 0 1 CFAF CC[C@H]([C@@H]1C[C@@H](C)C(=O)O1)[C@H]1CCCCN2C(=O)CC[C@@H]12 238756980 YUNHIIHOHQDVJJ-SEBNEYGDSA-N 293.407 2.755 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cn1cc(C)cn1)O2 587392673 VHOGNNPYIFYDKL-INIZCTEOSA-N 285.347 2.506 0 1 CFAF Oc1ncnc2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc12 586886879 DOASDZCKPHAYRO-BZKAFXDJSA-N 270.336 2.526 0 1 CFAF CC(C)[C@H](N)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587259738 ZYKRQIDKWXQNBK-JTQLQIEISA-N 269.251 2.540 0 1 CFAF N[C@H](c1ccsc1)c1nc2cc(Cl)cnc2[nH]1 587026250 WESMXXVRHCXVAI-SECBINFHSA-N 264.741 2.721 0 1 CFAF Nc1ncccc1Cc1nc2cnc3ccccc3c2[nH]1 587253137 AIEBNAHYEUQRRI-UHFFFAOYSA-N 275.315 2.679 0 1 CFAF COc1cncc2nc(-c3ccc(O)cc3Cl)[nH]c12 587053913 JLOLQLJDNLAJNE-UHFFFAOYSA-N 275.695 2.993 0 1 CFAF Cc1cccc(-n2ncc3ccc(Cl)cc3c2=O)n1 587653410 VNYFKLAFQHFTDB-UHFFFAOYSA-N 271.707 2.743 0 1 CFAF CC(C)[C@@](C)(O)c1nc2c(F)cnc(Cl)c2[nH]1 586885205 AOAAHTNWSONYSG-LLVKDONJSA-N 257.696 2.614 0 1 CFAF COc1c(O)cc(CCc2cccc(O)c2)cc1O 14505341 WOOBYFNNENQCSI-UHFFFAOYSA-N 260.289 2.597 0 1 CFAF O=C(O)c1ccc2cc(OC(F)(F)C(=O)O)ccc2c1 13863746 IQBPHWLXBGDCII-UHFFFAOYSA-N 282.198 2.594 0 1 CFAF Cc1ccc(C(=O)Nc2cccc(C)n2)c(C(=O)O)c1 103233741 ISJUGEUIJOHRQC-UHFFFAOYSA-N 270.288 2.649 0 1 CFAF CCOC(=S)Sc1cc(C=O)cc(O)c1OC 26578744 RNBVZTSJWSZVKA-UHFFFAOYSA-N 272.347 2.627 0 1 CFAF COc1cccc(-c2nc3cc[nH]cc-3n2)c1OC 101338991 YVHKWMDSJJIWEL-UHFFFAOYSA-N 255.277 2.594 0 1 CFAF COc1cc(NCCNC(C)C)c2ncccc2c1 26476404 FQQJQTRQANUZHB-UHFFFAOYSA-N 259.353 2.653 0 1 CFAF NC(=O)c1nc(-c2ccc(F)cc2)c2ccccc2n1 1911574474 WHMSRXDHFYSCQZ-UHFFFAOYSA-N 267.263 2.535 0 1 CFAF CNC(=O)N/C=C/c1cccc2ccc(OC)cc12 95596966 JDABTRPOMSNTSJ-CMDGGOBGSA-N 256.305 2.748 0 1 CFAF CC(C)(C)C(=O)Nc1cccc(-c2nc3ncc[nH]c-3n2)c1 587242366 UFJMGWJBKRPERF-UHFFFAOYSA-N 295.346 2.956 0 1 CFAF COc1cc2c3c(c1)O[C@@H](CCSC)[C@@H](C2)C3=O 587453263 RAPCRZFXVQAHHP-MNOVXSKESA-N 264.346 2.564 0 1 CFAF FC(F)(F)c1ccccc1Cc1nc2ncc[nH]c-2n1 587106402 AUSDKXZXXZFIQT-UHFFFAOYSA-N 278.237 2.914 0 1 CFAF CC(C)(C)c1ccc2nc(C[C@H]3COCCO3)[nH]c2c1 586911118 WCQHWVKVIUZIJS-LBPRGKRZSA-N 274.364 2.818 0 1 CFAF Cc1nn(C)c(C)c1-c1ccc(O)c(CCN(C)C)c1 59033329 WYAXXBALGWXICA-UHFFFAOYSA-N 273.380 2.514 0 1 CFAF CN1CCc2c(Br)cccc2[C@]12CCCC2=O 963289455 NLIFJCRBZNFGLS-AWEZNQCLSA-N 294.192 2.885 0 1 CFAF COc1cc2c(cc1C)NC(=O)/C2=C\c1ccncc1 5930838 XVJODMGGMORWQA-JYRVWZFOSA-N 266.300 2.891 0 1 CFAF O=C(NCCc1ccccc1)C1=Cc2ccncc2CC1 5934141 CCPCYLRZXGDGBR-UHFFFAOYSA-N 278.355 2.770 0 1 CFAF CCCSc1nsnc1O[C@@H]1CN2CCC1CC2 13777556 BFCWFQDCHYZMHW-SNVBAGLBSA-N 285.438 2.513 0 1 CFAF CCCC[C@H](N)[P@@](=O)(O)[C@@H](O)[C@@H](C)c1ccccc1 169331441 URWFEJMYAFQRIB-IACUBPJLSA-N 285.324 2.854 0 1 CFAF Cc1c(C)c(O)c(CC[C@@](C)(O)CCC(=O)O)c(C)c1O 169636668 SAEVUBOEVWFRFU-MRXNPFEDSA-N 296.363 2.571 0 1 CFAF CC(C)n1ccnc1C[C@H]1COc2ccccc2O1 27737924 JPGOAMYWRDUQOC-LBPRGKRZSA-N 258.321 2.847 0 1 CFAF CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N1C(C)C 427226 OCTFNPKHWGFJBB-SMDDNHRTSA-N 274.364 2.507 0 1 CFAF COC(=O)N1CCC2(CCCN(c3ccncc3)C2)CC1 4238199 LMJLOYRDIHTHAT-UHFFFAOYSA-N 289.379 2.530 0 1 CFAF O[C@H]1c2[nH]c3ccccc3c2CCN2CCCC[C@@H]12 6004830 LOTZCVIDSNBKKE-GOEBONIOSA-N 256.349 2.612 0 1 CFAF CCC(=O)N1C2=C(CCCC2)C(=O)NC12CCCCC2 6810810 GOGXYWZUKIEVBA-UHFFFAOYSA-N 276.380 2.843 0 1 CFAF CCOc1cc(C(F)(F)F)nc(-c2ccc(N)cn2)n1 64528324 ZRCWDDPTQHZGHR-UHFFFAOYSA-N 284.241 2.538 0 1 CFAF CCCN1CCC2(CC1)Cc1ccccc1C(=O)O2 29565066 QHUHACVRAIULSO-UHFFFAOYSA-N 259.349 2.644 0 1 CFAF CCCCN(C(C)=O)[C@H](CC)C(=O)NCc1ccccc1 2356842702 MXKPYCHUJZMVCS-MRXNPFEDSA-N 290.407 2.730 0 1 CFAF COc1cc2c(cc1O)[C@H](Cc1cccc(O)c1)NCC2 38879480 AWSPRYIWXBTMOT-HNNXBMFYSA-N 285.343 2.536 0 1 CFAF CC1=CC=CN2C[C@@H](C(=O)c3ccc(C)cc3)CN=C12 43064890 HTGDTKGPAWMJJE-HNNXBMFYSA-N 266.344 2.982 0 1 CFAF C[Si](C)(C)C[C@@](O)(Cn1cncn1)c1cccc(F)c1 195976363 KWDCVLWVIRTHPT-AWEZNQCLSA-N 293.418 2.643 0 1 CFAF CC[C@@H]1NCCCN(c2ccc3ccccc3c2)C1=O 145632994 LXVFXDNHXZTVBT-INIZCTEOSA-N 268.360 2.945 0 1 CFAF CS[C@H]1Nc2cc(Br)ccc2C1=O 238738834 YTQXYTLPQKLTGY-SECBINFHSA-N 258.140 2.746 0 1 CFAF COc1ccc([C@@](C)(O)c2nc(O)nc3ccccc23)cc1 299862177 JHOVXXNETNEHPS-QGZVFWFLSA-N 296.326 2.600 0 1 CFAF O=C(CCc1nc2cccnc2[nH]1)c1ccc(F)cc1 587164252 ZMCCOOIWPAXFRI-UHFFFAOYSA-N 269.279 2.913 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)CCC[C@@H]1C 587404209 CJJMBFLIUUVQLQ-MGPLVRAMSA-N 273.332 2.670 0 1 CFAF Fc1cc2c(c(Cc3nc4cnccc4[nH]3)c1)OCOC2 587172194 YZEZAQHLEODRNA-UHFFFAOYSA-N 285.278 2.554 0 1 CFAF FC(F)(F)[C@@](F)(Cl)c1nc2cnccc2[nH]1 587090604 SQKSVAHKHHGTEY-SSDOTTSWSA-N 253.586 2.881 0 1 CFAF COc1ccc(F)c([C@H]2NCCc3c(C)ccnc32)c1 963072812 ODZZWTAAVLVFMR-MRXNPFEDSA-N 272.323 2.773 0 1 CFAF CCC(=O)NCCn1c(Br)cc2ccccc21 1857586642 OQUBELQAULVUBC-UHFFFAOYSA-N 295.180 2.930 0 1 CFAF O=c1oc2cccn2c2ccc(Br)cc12 1772594337 WJKLGADRSBNRCJ-UHFFFAOYSA-N 264.078 2.808 0 1 CFAF O=C(Nc1n[nH]c2nc(-c3ccccc3)ccc12)C1CC1 13538525 AFBWGXIHPVUWLP-UHFFFAOYSA-N 278.315 2.973 0 1 CFAF CN1CCN(c2ccc3c(n2)CCc2ccccc2-3)CC1 13778665 UCGVNHNEDNJYRU-UHFFFAOYSA-N 279.387 2.599 0 1 CFAF COC(=O)C[C@@H]1[C@@H](Cc2ccccc2)C[C@@H]2CC[C@@H]1N2C 169295603 ANHMPRQCQIOCSZ-NXOAAHMSSA-N 287.403 2.891 0 1 CFAF NC(=O)[C@@H]1CC[C@@H]2c3cc(Cl)ccc3N[C@H]2C1 1857609035 YLRRWSFYZRTZFD-GMEUVTARSA-N 250.729 2.503 0 1 CFAF C[C@@H]1CCCC=C[C@@H]2CCC[C@@H]2[C@@H](O)C=CC(=O)O1 2356427529 DDFOHHVPBOQQDW-KBXIAJHMSA-N 264.365 2.992 0 1 CFAF CC(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 4967525 CUJKQTPICAPGOY-UHFFFAOYSA-N 287.281 2.535 0 3 CFAF C[C@@]12Cc3ccccc3[C@H](CN1)[C@@H](O)c1ccccc12 100649371 KPCFBUXWRZXQIW-SZMVWBNQSA-N 265.356 2.878 0 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1 CFAF C/C1=C/[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@H](O)C/C(C)=C\CC1 238768358 TXSIFZZILWRCIY-MBOVMXBLSA-N 250.338 2.602 0 1 CFAF O=C1N[C@@H]2CCCC[C@@H]2[C@@H](c2ccccc2)[C@@H]1n1ccnc1 618016527 WIRBMZKFZWCBIC-HZMVEIRTSA-N 295.386 2.897 0 1 CFAF COCCn1cc(C(=O)c2coc3ccccc23)cn1 587280634 OFRCNFZIWSVTQJ-UHFFFAOYSA-N 270.288 2.507 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1cc(C)ccn1)[C@@H](C2)C3=O 587436618 SGCSUIMOGMFSOE-SJCJKPOMSA-N 281.311 2.887 0 1 CFAF Nc1cccc(O)c1-c1nc2cncc(Cl)c2[nH]1 587251115 ZHQMHQGVRSHQTA-UHFFFAOYSA-N 260.684 2.566 0 1 CFAF Cc1c(-c2nc3ncccc3[nH]2)oc2c1[C@H](O)CCC2 586904428 WJMNYQPYUIKVDK-SNVBAGLBSA-N 269.304 2.896 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1cnoc1C)[C@@H](C2)C3=O 587437349 YHKRTICUPLMUGF-MEDUHNTESA-N 285.299 2.654 0 1 CFAF Oc1nc2cc3nc(-c4ncccc4Cl)[nH]c3cc2[nH]1 587065529 SXDZAIZHCZPMNA-UHFFFAOYSA-N 285.694 2.860 0 1 CFAF Cc1ccc(Cc2cc3c(O)nc(O)nc3nc2C)cc1 587560371 AUJBEALCCJVJLR-UHFFFAOYSA-N 281.315 2.644 0 1 CFAF CC[C@@H](N)c1ccc(Cl)c(C(=O)c2cn[nH]c2)c1F 1772622572 JWWHIWRAOBRRSW-SNVBAGLBSA-N 281.718 2.843 0 1 CFAF O=c1[nH]c(Nc2cc(Cl)cc(Cl)c2)nc2[nH]cnc12 5542672 XABJVTMOEMSJFI-UHFFFAOYSA-N 296.117 2.697 0 1 CFAF O=C1CC[C@@H]2C[C@@H](C(=O)c3ccccc3)CC[C@H]2CN1 5809759 ADHLYWFPKZJMJV-ILXRZTDVSA-N 271.360 2.812 0 1 CFAF CCCCSc1nsnc1[C@H]1CN2CC[C@H]1C2 3805748 TXFYJYGOWBXYMH-UWVGGRQHSA-N 269.439 2.849 0 1 CFAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1ccco1 101492099 IMUMCVJFVZECHQ-UQRISPGASA-N 291.303 2.701 0 1 CFAF CN1[C@@H]2CC[C@@H]1CC(NC(=O)c1cnc3ccccc3c1)C2 100759261 PLCJINYGNDJAOB-HZPDHXFCSA-N 295.386 2.590 0 1 CFAF CCCN1C[C@@H](CSC)C[C@@H]2Cc3n[nH]cc3C[C@@H]21 27552687 ASXNINCAPWBRJS-ZOWXZIJZSA-N 279.453 2.588 0 1 CFAF CCOC(=O)[C@]1(C)CCN1C(=O)c1ccc(F)c(Cl)c1 61903597 UTQMDUJMJUMLLY-AWEZNQCLSA-N 299.729 2.647 0 3 CFAF c1cc(-c2cnc3sc(NCC4CC4)nn23)ccn1 64475019 LIGZLOYUNBSQQE-UHFFFAOYSA-N 271.349 2.675 0 1 CFAF CC1=C[C@@H]2OC(=O)[C@H](C)[C@@H]2C[C@H](O)C(C)=CCC1 2356515253 IEWXWMUMAOWZMT-RFGFWPKPSA-N 250.338 2.602 0 1 CFAF CC(=O)c1nc(OCCCN2CCCCC2)sc1C 64540807 MBMJEBKCSWYTCH-UHFFFAOYSA-N 282.409 2.909 0 1 CFAF CC(C)Cc1ccc([C@H](C)c2nnc(S)n2N)cc1 35326609 FXMQOYQNQRVKKF-JTQLQIEISA-N 276.409 2.631 0 1 CFAF CC(=O)Oc1cc2c(c3oc(=O)ccc13)C=CC(C)(C)O2 40412526 MPXGNKGXGBCOFJ-UHFFFAOYSA-N 286.283 2.903 0 1 CFAF Cc1ccc([C@@](O)(Cn2cncn2)C[Si](C)(C)C)cc1 195954987 SRDNEQUFAHHKDU-OAHLLOKOSA-N 289.455 2.813 0 1 CFAF Oc1ccc(-c2cnc(-c3cc(O)cc(O)c3)nc2)cc1 95553562 JJOZZQINANNZDK-UHFFFAOYSA-N 280.283 2.927 0 1 CFAF CC1=C2CC[C@@]3(C)CCC[C@@](C)(O)[C@H]3[C@H]2OC1=O 238732331 VLDRHPYYCMRAEB-DDHJSBNISA-N 250.338 2.580 0 1 CFAF CCO/C(O)=C1/C(C)=NC(=S)N[C@H]1[C@H]1CC=CCC1 617960018 IBDYNWKVOOUVRA-QQNIERAZSA-N 280.393 2.866 0 1 CFAF Cc1ccc(CCc2ccc3c(O)nc(O)nc3n2)cc1 587561585 RUZWTBMDFDAMBD-UHFFFAOYSA-N 281.315 2.530 0 1 CFAF N=c1cc2nc(/C=C\c3ccc(F)cc3F)[nH]c2c[nH]1 587151583 STBUNKAFYBQASC-RQOWECAXSA-N 272.258 2.819 0 1 CFAF C[C@H](F)[C@H](N)c1nc2cccc(Br)c2[nH]1 587126288 WMIQEAHXUPBEJW-XNCJUZBTSA-N 272.121 2.683 0 1 CFAF C[C@H](O)c1ncc(-c2nc3cc4cn[nH]c4cc3[nH]2)s1 587021474 IOXCGJBEZORMGT-LURJTMIESA-N 285.332 2.616 0 1 CFAF CCNC(=O)CCc1nc2cc(Cl)cc(Cl)c2[nH]1 587231482 XGPAHLYEMIEUMU-UHFFFAOYSA-N 286.162 2.938 0 1 CFAF COc1ccc2nc(CC(=O)OCc3ccccc3)[nH]c2c1 587782544 PHDYYCDRNAKKCN-UHFFFAOYSA-N 296.326 2.857 0 1 CFAF Fc1cccc2c(-c3nc4nc(Cl)c[nH]c-4n3)n[nH]c12 587175999 DWBNFUDQPIJDOB-UHFFFAOYSA-N 288.673 2.640 0 1 CFAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3c(O)ncnc3[nH]2)C1 587968854 GOOICTCVPAYTRF-RKDXNWHRSA-N 260.341 2.988 0 1 CFAF Cc1ccc(CCc2nc3cncc(C)c3[nH]2)cc1N 587250051 GATZCLJXKTWGSI-UHFFFAOYSA-N 266.348 2.942 0 1 CFAF CCOC(=O)C[C@@H](C(C)=O)c1cc2c3c(cccc3n1)CC2 587212260 RJZFLTOKFAHDAT-AWEZNQCLSA-N 297.354 2.959 0 1 CFAF CNc1ccccc1[C@@H]1NCCc2c(C(=O)O)cccc21 963136096 XZDKSUOUBYEWKX-MRXNPFEDSA-N 282.343 2.662 0 1 CFAF O=c1oc2cc(O)cc(O)c2cc1-c1ccsc1 1772616753 JVOVELGNMRAGPG-UHFFFAOYSA-N 260.270 2.933 0 1 CFAF O=S(=O)(O)C(F)(F)c1ccc2ccccc2c1 13836399 GOESXSQUFQHLQQ-UHFFFAOYSA-N 258.245 2.777 0 1 CFAF COc1ccc2cccc(CCNC(=O)N3CCC3)c2c1 169312004 DWTRYCGJHJRSEK-UHFFFAOYSA-N 284.359 2.806 0 1 CFAF Cn1cc(-c2cccc(N)c2)c2ccccc2c1=O 1857642055 KVXVYBYTNGEFFS-UHFFFAOYSA-N 250.301 2.788 0 1 CFAF CC1=CC[C@@H](C(C)(C)OC(=O)CN2CCC(=O)CC2)CC1 1857760208 YAAYIWHJWSHPGZ-CQSZACIVSA-N 293.407 2.720 0 1 CFAF O=Cc1ccc([C@H](C2CCCC2)[C@@H]2CC[C@@]3(O)C[N@]23)cc1 2356358809 XQLWYOLOCMKXIM-INDMIFKZSA-N 285.387 2.940 0 1 CFAF O[C@@]1(Cc2ccccc2)c2ccccc2C2=NCCCN21 26255807 OURJCPQVBGAQEO-SFHVURJKSA-N 278.355 2.540 0 1 CFAF CCCn1ncc(-c2ccnc(NC3CC3)n2)c1C 20780297 XUDXYQKJFUUOCU-UHFFFAOYSA-N 257.341 2.633 0 1 CFAF O=C1NC(=O)[C@]2(CC[C@@H](c3ccccc3)c3ccccc32)N1 26479840 RJEIWZCFOOHJNR-SCLBCKFNSA-N 292.338 2.647 0 1 CFAF CC[C@H](C)C(=O)C(=O)OCCc1c[nH]c2ccccc12 28765770 QRAQXRUWVDERAG-NSHDSACASA-N 273.332 2.869 0 1 CFAF COC(=O)C/C=C1\c2ccc3c(c2[C@H](OC)[C@H]1C)OCO3 66166349 ZQDNTSRZBRBSHA-OLXHXXDTSA-N 290.315 2.699 0 1 CFAF CCOC(=O)Cc1c(-c2ccccc2)nc2ccc(N)cn12 26838467 AYRIUPHWCGBAAE-UHFFFAOYSA-N 295.342 2.689 0 1 CFAF Nc1ncc([C@H]2C[C@H]3CC[C@@H]2N3)cc1-c1ccccc1 27324410 ABSIBSJUOJFQHU-FMKPAKJESA-N 265.360 2.939 0 1 CFAF Oc1ccc2cc3[n+](cc2c1)CCc1cc2c(cc1-3)OCO2 40379008 MYKPJLAVXDWNGI-UHFFFAOYSA-O 292.314 2.785 0 1 CFAF CCCCCN1CCCC[C@H](NC(=O)C(C)(C)C)C1=O 199410236 GGLMZNKEPRGWKK-ZDUSSCGKSA-N 282.428 2.720 0 3 CFAF CC(=O)C[C@H]1CCC[C@@H](C[C@H](O)c2ccccc2)N1C 85855900 UNEVXLRBMRPLDP-IKGGRYGDSA-N 275.392 2.942 0 1 CFAF Cc1n[nH]c(C(=O)O)c1Cc1ccc2ccccc2n1 95557690 DSGAXEDAADRTLY-UHFFFAOYSA-N 267.288 2.555 0 1 CFAF c1cc([C@H]2CNCCO2)ccc1Nc1ncc(C2CC2)cn1 149912467 LTCPIUJIWPHWDB-MRXNPFEDSA-N 296.374 2.759 0 1 CFAF O=C1CCC[C@@H](c2nc3ccc(C(=O)O)cc3[nH]2)CC1 586883570 CAUMLUJWMMAOPU-SECBINFHSA-N 272.304 2.878 0 1 CFAF Cc1c(Br)cnc2[nH]c([C@](C)(O)C(C)C)nc12 586886642 GILOJSXZGVHZHF-GFCCVEGCSA-N 298.184 2.892 0 1 CFAF CC(C)c1nn(C)c2c1[C@@H]([C@H](C)C(F)(F)F)NCC2 962914200 DENZDKBYUQCDFI-QPUJVOFHSA-N 275.318 2.929 0 1 CFAF COC[C@H](C)[C@H]1c2cc(OC)c(OC)cc2C[C@H](C)N1C 962618115 CXTGBIDGANQHEL-PRXAMGSTSA-N 293.407 2.904 0 1 CFAF COc1cc(CCc2ccncc2)cc(OC)c1O 1857539135 NIYOIECIAIAKBP-UHFFFAOYSA-N 259.305 2.590 0 1 CFAF CC1=C(C(=O)N2CCCCC2)C2(CCC(C)CC2)OC1=O 5058818 RPZGNVTVIGTLMI-UHFFFAOYSA-N 291.391 2.821 0 3 CFAF CC(=O)c1cc2c3c(oc2cc1O)[C@](C)(O)CCC3=O 205002279 GAMROFBVEMOBPH-OAHLLOKOSA-N 274.272 2.525 0 1 CFAF CCCN(CCC)[C@@H]1Cc2ccc(C=O)c(O)c2C1 26162476 DLLWTRSOZZWNRZ-CQSZACIVSA-N 261.365 2.794 0 1 CFAF CCCCCCOc1nccnc1O[C@@H]1CN2CC[C@@H]1C2 1544254 VGZCKWSRGATAFA-ZIAGYGMSSA-N 291.395 2.519 0 1 CFAF C[C@]12C=CC=C3CO[C@H](c4c(O)ccc(O)c4C1)[C@@H]32 2356406252 RINQNJVHAUPFKC-OAGGEKHMSA-N 256.301 2.844 0 1 CFAF COP(=O)(OC)[C@H](O)[C@H]1C[C@@H]1c1ccccc1 6009852 CBWPDBHFIMPYON-WOPDTQHZSA-N 256.238 2.594 0 1 CFAF C[C@@H]1C(=O)O[C@H]2[C@H]3[C@@]4(C)CC[C@@H](O4)[C@]3(C)CC[C@H]12 2356420920 RNZCIODIVSAJQF-VKRQDYRBSA-N 250.338 2.532 0 1 CFAF CCN1c2ccc3oc(=O)ccc3c2C(=O)CC1(C)C 103234289 ASHNBYXOBZEXJZ-UHFFFAOYSA-N 271.316 2.984 0 1 CFAF CCN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)C2 103225868 DIWGQPSHGZVJEZ-FICVDOATSA-N 259.349 2.859 0 1 CFAF Nc1ccc(-c2cncc([C@H]3C[C@H]4CC[C@@H]3N4)c2)cc1 29123169 KEUJFPCKMLEDQK-ZACQAIPSSA-N 265.360 2.939 0 1 CFAF O=C(c1ccc(Cl)cc1)c1ccc2n1CC[C@@H]2C(=O)O 25997510 AWYPVJCKATWYJR-NSHDSACASA-N 289.718 2.944 0 1 CFAF Clc1nc(NC2CC2)c2ncn([C@H]3CCCCO3)c2n1 64528128 IRYGGDVDSGIYQB-SECBINFHSA-N 293.758 2.753 0 1 CFAF Cc1n[nH]c2c1C(c1cccc(Cl)c1)=NCCN2 28091159 ZXBQTLGBUDYUGH-UHFFFAOYSA-N 260.728 2.634 0 1 CFAF COc1c(O)cc2oc(Cc3ccccc3)cc(=O)c2c1O 2356810952 BCVCESNZHSJNPW-UHFFFAOYSA-N 298.294 2.804 0 1 CFAF C[C@H](O)C(C)(C)C=CC=CCCC(=O)C(C)(C)CO 2356858836 TWZVGLYLTHNTQX-ZDUSSCGKSA-N 268.397 2.874 0 1 CFAF CCOCCNCc1coc(-c2ccc(C)cc2)n1 72101598 JIEGNXDQRCBTLG-UHFFFAOYSA-N 260.337 2.776 0 1 CFAF CC1(C)NC(=O)[C@H]1NC(=O)OCCCCC1CCCCC1 219382792 CAVMMUQNBLJJFM-CYBMUJFWSA-N 296.411 2.740 0 1 CFAF CO/C(=C\c1cc(Cl)c(O)c(Cl)c1)C(=O)O 1911586366 ZVQPCUCPQJKREF-YWEYNIOJSA-N 263.076 2.771 0 1 CFAF Nc1ccccc1CNC(=O)c1coc(-c2cccs2)n1 82086267 LNYJWMGEZRBEAU-UHFFFAOYSA-N 299.355 2.915 0 1 CFAF Cc1ccccc1Nc1cnccc1NS(C)(=O)=O 49000325 BZLAZSCSSCESCS-UHFFFAOYSA-N 277.349 2.505 0 1 CFAF COC(=O)c1csc(-c2ccccc2OC(C)=O)n1 96328837 XPHLSLKMCUKMMR-UHFFFAOYSA-N 277.301 2.522 0 1 CFAF N=C(NC(=S)Nc1ccc2c(c1)OCO2)c1ccccc1 95569678 CBUOHALHKBRDTB-UHFFFAOYSA-N 299.355 2.727 0 3 CFAF CCC(=O)OC/C=C/c1ccc(OC(C)=O)c(OC)c1 473103985 NNBMYAUOEXWWRX-AATRIKPKSA-N 278.304 2.587 0 1 CFAF CC1=N[C@H](CC(C)C)C(=O)Nc2cc(C(=O)O)ccc21 473153909 CVMUOFKKKPRTRX-CYBMUJFWSA-N 274.320 2.561 0 1 CFAF CCC[C@@]1(C(C)=O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445929 PYFPEIAZXKTOGM-WBMJQRKESA-N 274.316 2.571 0 1 CFAF CN[C@@H](c1cccnc1)c1nc2cc(F)cc(F)c2[nH]1 587221726 HPPLBTXTLCBRTE-LBPRGKRZSA-N 274.274 2.545 0 1 CFAF O=C1CCC[C@@H](c2nc3c(Cl)ncnc3[nH]2)CC1 586883398 CALUDQMNSHABDI-SSDOTTSWSA-N 264.716 2.623 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN(C(C)C)C[C@@H]1C)O2 587392582 BWOIZYUBJRTFQZ-YVEFUNNKSA-N 288.391 2.641 0 1 CFAF Clc1ncc(-c2ncco2)c(=Nc2ccccc2)[nH]1 1857757592 PNMWJTMYZFIYGA-UHFFFAOYSA-N 272.695 2.951 0 1 CFAF CCOP(=O)(OCC)[C@@H]1C(=O)O[C@H]2CCCC[C@H]21 5839190 LEBYUNYOSXULBK-VWYCJHECSA-N 276.269 2.737 0 1 CFAF Cc1cccc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)n1 169701167 ZITZDUCMNVRKGJ-HNNXBMFYSA-N 296.374 2.780 0 1 CFAF COC(=O)[C@@H]1[C@H](Cc2ccccc2)C[C@@H]2CC[C@H]1N2C 17466 YHWZJYKIOUHJGH-QKPAOTATSA-N 273.376 2.501 0 1 CFAF CCOC(=O)c1nn(-c2ccccc2)c(C)c1C(C)=O 353491 VNXMZZOENOWMQD-UHFFFAOYSA-N 272.304 2.560 0 3 CFAF COC(=O)[C@H]1CCC(=O)[C@H](Sc2ccccc2)C1 1622542 BMCGYPHJLBAOLQ-GXFFZTMASA-N 264.346 2.690 0 1 CFAF C[C@@H]1CC[C@H]2[C@@H](C)CO[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23O4 103105665 FSZYCJZXDCDPHN-LHJKONGQSA-N 252.354 2.937 0 1 CFAF COC(=O)[C@@H]1C=CC[C@H]2CCCC[C@]21N1CCCC1 105484649 KGVIFVCQEQXNSN-YCPHGPKFSA-N 263.381 2.760 0 1 CFAF CC[C@]1(C)SC(NC23C[C@@H]4CC2C[C@H](C4)C3)=NC1=O 116642575 NKXZODWCNYSDGW-ORKMDMIZSA-N 278.421 2.953 0 1 CFAF O=C(NCc1ccccc1)n1sc2ccccc2c1=O 66147759 FAIALGLSVDABPL-UHFFFAOYSA-N 284.340 2.821 0 1 CFAF COC(=O)C=C(C)CCC=C(C)CCC(=O)OC 2356553624 ILVKUYSWZXKIAJ-UHFFFAOYSA-N 254.326 2.785 0 1 CFAF COc1ccc(C2=NCCN=C(NC(C)(C)C)C2)cc1 36270486 OQBBNXMYIABMPP-UHFFFAOYSA-N 273.380 2.675 0 1 CFAF COc1ccc2c(c1)-c1c3c-2nccc3cc[n+]1[O-] 72109964 PGWNMRCPDJZNGH-UHFFFAOYSA-N 250.257 2.524 0 1 CFAF Cc1cccc(S(=O)(=O)[C@@H]2CCCCCC2=O)c1C 40976653 VXKBZIZBZMKFLU-OAHLLOKOSA-N 280.389 2.979 0 1 CFAF COc1ccc(/C=C/c2ccc[n+](C)c2)cc1OC 42989076 HQWDGSRARARRDH-VOTSOKGWSA-N 256.325 2.699 0 1 CFAF COc1ccc2c(c1O)C(=O)c1nccc3ccc(O)c-2c13 238783467 GQYNFBUUYDCTLZ-UHFFFAOYSA-N 293.278 2.866 0 1 CFAF COc1cccc([C@@H]2CC(OCCF)=CC(=O)O2)c1 95569068 DDDXPPOMXLUYQU-ZDUSSCGKSA-N 266.268 2.553 0 3 CFAF Nc1cc(C(=O)O)cc(-c2nc3c(Cl)ccnc3[nH]2)c1 587249981 VMPJZMHSPYHRBM-UHFFFAOYSA-N 288.694 2.559 0 1 CFAF O=NCc1ccc(-c2nc3nc(Cl)ncc3[nH]2)cc1 587191256 WQLQSXODIPDNPD-UHFFFAOYSA-N 273.683 2.940 0 1 CFAF Cc1cc2c(O)nc(O)nc2nc1-c1cccc(F)c1F 587368633 UDFXBPWMTNKNTJ-UHFFFAOYSA-N 289.241 2.690 0 1 CFAF C[C@H](Cc1nc2ccc(Br)cc2[nH]1)N(C)C 587189748 DPKMALNILDARJX-MRVPVSSYSA-N 282.185 2.818 0 1 CFAF FC(F)(c1ccccn1)c1nc2cc3c(cc2[nH]1)OCO3 587089361 BSPIOTHUAGVHPQ-UHFFFAOYSA-N 289.241 2.827 0 1 CFAF COC(=O)C[C@H](C)Cc1nc2c(C)ccc(C)c2[nH]1 587784780 JEEQRMZLHBPIHK-SECBINFHSA-N 260.337 2.921 0 1 CFAF C=Cn1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587392891 WWABYSDBFWUXPR-AWEZNQCLSA-N 269.304 2.581 0 1 CFAF N=C(N)c1ccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2c1 587090049 LAGNUJZMTHAGGK-VIFPVBQESA-N 294.639 2.770 0 1 CFAF Oc1ccc(O)n1-c1cc(F)c(Br)cc1F 587943707 OLPFXSVREBNPAW-UHFFFAOYSA-N 290.063 2.929 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=COC1(C)C)O2 587414489 VMXIRKFLPAISIY-HNNXBMFYSA-N 259.305 2.604 0 1 CFAF Cc1ccc([C@@H](C)[C@H](O)c2nc3c(N)ccnc3[nH]2)cc1 586885363 CBRLPTUIDXXEQR-YGRLFVJLSA-N 282.347 2.686 0 1 CFAF COc1cccc2nc(-c3cc(CO)ccc3F)[nH]c12 587140024 FBWYTCYAATUFQC-UHFFFAOYSA-N 272.279 2.870 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cncc(Cl)n1)O2 587379776 KVAUVHOXFILFEK-LBPRGKRZSA-N 289.722 2.727 0 1 CFAF COc1ccc(Cc2nc3cncc(C)c3[nH]2)cc1OC 587925134 AZUFRSJKLOOAQH-UHFFFAOYSA-N 283.331 2.874 0 1 CFAF NC1CCC(c2nc3c(F)cnc(Cl)c3[nH]2)CC1 587257069 YNXKYJMOSSPIKM-UHFFFAOYSA-N 268.723 2.735 0 1 CFAF O=C(O)C[C@H]1CCc2nc3cccc4c3c(c2C1)CC4 587216006 YAZGOLXHHZHTTM-JTQLQIEISA-N 267.328 2.913 0 1 CFAF Cc1cc(F)c2[nH]c(C[S@](=O)CC3CC3)nc2c1 586960096 SAEFWFVKIUCJDZ-GOSISDBHSA-N 266.341 2.669 0 1 CFAF COc1cccc([C@@H](C)Cc2nc3cnncc3[nH]2)c1 587930410 HWUHNYBMWYWTRL-JTQLQIEISA-N 268.320 2.708 0 1 CFAF N=c1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c[nH]1 587091119 BHBYHDVQBARTAV-UHFFFAOYSA-N 297.240 2.520 0 1 CFAF CCC[C@]1(C(=O)O)c2c(F)cccc2C[C@@H]2CCCN21 963110073 QIXBJHCXJGEWNQ-BLLLJJGKSA-N 277.339 2.926 0 1 CFAF O=C1C=CCCN1C(=O)/C=C/c1ccc(Cl)cc1 204945252 NHCDICODHJZILQ-RMKNXTFCSA-N 261.708 2.668 0 1 CFAF CC(C)(C)OC(=O)c1cc(N)cc(C(=O)OC(C)(C)C)n1 35653863 JJDVHRJLEDDHCO-UHFFFAOYSA-N 294.351 2.574 0 1 CFAF C[C@H](c1cc2cc(Cl)ccc2o1)N(O)C(N)=O 13762772 BPZSEQWLJDZAQC-ZCFIWIBFSA-N 254.673 2.917 0 1 CFAF Cc1cccc2c(=O)n([C@@H]3CN4CCC3CC4)cc(C)c12 13832776 UNBWFBRFMCIWTJ-MRXNPFEDSA-N 282.387 2.885 0 1 CFAF O=C(c1ccc(-c2ccccc2Cl)o1)n1cncn1 200030917 ZSYSFTYLJQBULC-UHFFFAOYSA-N 273.679 2.880 0 1 CFAF CN(c1ccc(-c2ccccc2)cn1)[C@H]1CCN(C#N)C1 1857572827 JBKBOQDILPUBTP-INIZCTEOSA-N 278.359 2.740 0 1 CFAF CCn1c(=O)ccc2cnc(Nc3ccccc3)nc21 12354795 WSZLNFZLFQJSAJ-UHFFFAOYSA-N 266.304 2.555 0 1 CFAF Cc1cccc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1 1340950 AMHDMNUWSHUTLS-UHFFFAOYSA-N 297.358 2.606 0 3 CFAF CO[C@@H](C1=NCCN1)[C@H](Oc1ccccc1)c1ccccc1 2356321554 APPDQPXWOYUJEV-IAGOWNOFSA-N 296.370 2.823 0 1 CFAF CCCn1cccc(C(=O)NC2CCC(C)CC2)c1=O 103263585 XNSHNAOXDBHXAQ-UHFFFAOYSA-N 276.380 2.567 0 1 CFAF N[C@H](CCSCCCc1c[nH]c2ccccc12)C(=O)O 29245502 RUYUYJVZXDSOIX-CYBMUJFWSA-N 292.404 2.636 0 1 CFAF C/C1=C/C[C@@H](O)[C@@H](C)C[C@@H]2OC(=O)[C@H](C)[C@H]2CC1 100780327 LAOQYXNUSDEVJK-LDWVKFCCSA-N 252.354 2.681 0 1 CFAF endogenous,in-man O[C@H](c1nnc(-c2ccccc2)[nH]1)[C@@H]1CC=CCC1 103176435 ZUFOXHZCDSGQOI-YPMHNXCESA-N 255.321 2.861 0 1 CFAF Oc1c2nc3ccc(F)cc3c-2ncn1C[C@H]1CCCO1 101740912 NUZQTVOKVMWKFP-SNVBAGLBSA-N 287.294 2.560 0 1 CFAF COC(=O)[C@H](c1ccc2cc(OC)ccc2c1)[C@@H]1CCCN1 29481142 UEKQNEDOUCYVGE-DLBZAZTESA-N 299.370 2.857 0 1 CFAF C[C@@]12CCC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 29404375 SXIPXKUAHBNRLJ-LKCKMFOKSA-N 291.435 2.869 0 1 CFAF CO[C@@H]1OC[C@@H]2C(=O)[C@@H]3CC(C)(C)C[C@@H]3[C@]3(C)C[C@]123 2356686186 WDZQKXZDBJTSQX-CACVUUIASA-N 264.365 2.637 0 1 CFAF COc1ccc2c(c1)C[C@H](C)O[C@@]21C(=O)Nc2ccccc21 66148420 JAZPVBXOMXUZHQ-VOJFVSQTSA-N 295.338 2.852 0 1 CFAF COC(=O)C1=CCC[C@H]([C@@]2(C)CC[C@H](C(C)(C)O)O2)C1 2356780776 GLZYRKYVXBYFCI-WOSRLPQWSA-N 282.380 2.595 0 1 CFAF COC(=O)C1=CC=CN(CCc2c[nH]c3ccccc23)C1 2356841694 MGLGINXDJZFXHQ-UHFFFAOYSA-N 282.343 2.639 0 1 CFAF CC(C)NC(=O)[C@]1(C)CCN1C/C=C/c1ccccc1 61905637 FBTMYLCJTYJZPE-JEJOPICUSA-N 272.392 2.689 0 3 CFAF CN(C)CCCNCc1coc(-c2ccc(F)cc2)n1 72183377 ORNDKSRLSIMSRQ-UHFFFAOYSA-N 277.343 2.522 0 1 CFAF COC[C@@H]1[C@H]2CNC[C@]21c1ccc2ccccc2c1 45364555 VNJFIBFHISUZRV-ZACQAIPSSA-N 253.345 2.573 0 1 CFAF COc1ccc(C2=[N+]([O-])c3cc(OC)ccc3C2=O)cc1 45286912 XDCCHKJWEDSMHA-UHFFFAOYSA-N 283.283 2.531 0 1 CFAF Nc1cccc(-c2nc3cc(Cl)ncc3[nH]2)c1C(=O)O 587248372 OHOGYTZWJZRAPM-UHFFFAOYSA-N 288.694 2.559 0 1 CFAF FC(F)C(F)(F)c1nc2cc(Cl)ncc2[nH]1 587088857 DAUROZYKBFCRHH-UHFFFAOYSA-N 253.586 2.968 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(F)ccc1F)O2 587387497 SRCXUVSPDKSNKZ-GFCCVEGCSA-N 290.269 2.957 0 1 CFAF N[C@@H](N=O)c1cccc(Cn2cnc3ccccc32)c1 957986619 QBRWGTYJCBPYJY-HNNXBMFYSA-N 266.304 2.808 0 1 CFAF CO[C@@](C)(CO)c1ccc(C)cc1OC(=O)C=C(C)C 14588716 VCMSRECHCNEQOQ-INIZCTEOSA-N 278.348 2.721 0 1 CFAF COC(=O)c1ccc2ccn(SC(=S)N(C)C)c2c1 1857569442 WBMMORPZMXYYFO-UHFFFAOYSA-N 294.401 2.771 0 1 CFAF Cc1nc(NC(=O)c2nccs2)ccc1Cl 1772643045 XXELNVRSUUCHPO-UHFFFAOYSA-N 253.714 2.752 0 1 CFAF Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2C[C@@H]3C=C[C@@H]2C3)c1 169293661 OVHYQYHJQLHVFR-FMKPAKJESA-N 299.370 2.997 0 1 CFAF Cc1cn(C[C@H](O)c2ccc(Cl)cc2Cl)c(N)n1 169351083 RPROYMMSQHRAPC-NSHDSACASA-N 286.162 2.814 0 1 CFAF C=C[S@@](=O)c1cc(O)c2c(OC)ccc(OC)c2c1O 169729693 BNYSVQYJAHXJCJ-HXUWFJFHSA-N 294.328 2.519 0 1 CFAF Nc1ccc(-c2nncc3cc4c(cc23)OCO4)cc1 6937 ALHHEEUXTSHPNA-UHFFFAOYSA-N 265.272 2.608 0 1 CFAF Nc1ccc(NC(=S)N[C@@H]2CC3CCC2CC3)cn1 13600692 BOAWUEHSNPDTMJ-RTYFJBAXSA-N 276.409 2.529 0 1 CFAF Nc1c(CCO)cccc1C(=O)c1ccc(Cl)cc1 26386930 UMRMCLDVYIILPN-UHFFFAOYSA-N 275.735 2.688 0 1 CFAF CCOc1ccc(N(CC)c2ncnc3[nH]cnc23)cc1 3894811 FADPTBJDOHXRKL-UHFFFAOYSA-N 283.335 2.910 0 1 CFAF COc1ccccc1-c1cc(=O)c2ccc(C)nc2[nH]1 6488321 HEFSDKCWCBOPGI-UHFFFAOYSA-N 266.300 2.907 0 1 CFAF COc1ccc(-c2cc(NC(N)=O)c(C(=O)O)s2)cc1 103288725 SNLULUIWDCBILF-UHFFFAOYSA-N 292.316 2.613 0 1 CFAF COc1cc(OC)c(-c2nc3cc[nH]cc-3n2)cc1OC 100969907 UJSWMQRXOFFOQK-UHFFFAOYSA-N 285.303 2.602 0 1 CFAF CCOC[C@@]1(C(=O)c2cc(F)c3[nH]ccc3c2)CCNC1 62225282 PKEWUQPHEKJOIK-MRXNPFEDSA-N 290.338 2.506 0 1 CFAF Cc1cccc2c(=O)[nH]c3c(c12)CO[C@H](C(C)C)C3 210419960 IJUFQFXULPPVLY-AWEZNQCLSA-N 257.333 2.934 0 1 CFAF C[C@@]1(c2ccco2)ON=C(c2ccc3c(c2)OCO3)O1 72118117 FVUDLBKMBOERQE-AWEZNQCLSA-N 273.244 2.590 0 1 CFAF C[C@@]12CC[C@H]3C[C@@]1(C(=O)Nc1cccnc1)OC[C@]32C 136438740 NQOTWEWBZJOSEX-MWNCTCPHSA-N 272.348 2.615 0 1 CFAF Clc1ccc2oc(N3CCN4CCC3CC4)nc2c1 45391380 DYSMQUAVJOMJKD-UHFFFAOYSA-N 277.755 2.766 0 1 CFAF Cc1cc(O)cc(O)c1Oc1cc(O)cc2c1C(=O)OC2 238774020 LSRGBEHCIZVMIE-UHFFFAOYSA-N 288.255 2.575 0 1 CFAF CC(C)NC(=N)c1ccc(N2Cc3ccccc3C2=O)nc1 299820914 FDFUKZURSLPQFV-UHFFFAOYSA-N 294.358 2.565 0 1 CFAF C[C@@H]1CC(C)(C)Cc2cc3c(O)nc(O)nc3nc21 587561555 JNMJPCDVGOWDRZ-SSDOTTSWSA-N 259.309 2.512 0 1 CFAF Cc1c(-c2cnccn2)[nH]c2c(C(=O)O)cccc12 587638234 DOCNCRGHPDOJPX-UHFFFAOYSA-N 253.261 2.632 0 1 CFAF O=C1C[C@@]2(CCN3CC[C@H]2C3)Oc2c1ccc1c2CCCC1 587527221 RKPWWZVNDCGISY-IFXJQAMLSA-N 297.398 2.995 0 1 CFAF COC(=O)Nc1ccc(-c2nc3cccc(O)c3[nH]2)cn1 587245796 XZMKTUJTFRCDDC-UHFFFAOYSA-N 284.275 2.509 0 1 CFAF COC[C@@]1(CC(C)C)CC(=O)c2cc(C)cc(N)c2O1 587400801 OVNLDKXRJAXLMA-MRXNPFEDSA-N 277.364 2.974 0 1 CFAF C[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C 587517195 IUBXZIRVPGLPGY-KZULUSFZSA-N 285.387 2.993 0 1 CFAF CC(C)(SCC(=O)O)c1nc2cc(F)c(F)cc2[nH]1 586959246 MOYWNXPJGPRQHU-UHFFFAOYSA-N 286.303 2.894 0 1 CFAF CC(C)Oc1ccc2nc(-c3nn(C)c(O)c3F)[nH]c2c1 587156202 ZHAFWDZBJBHXDW-UHFFFAOYSA-N 290.298 2.595 0 1 CFAF C=C1Nc2sc(C)c(-c3ccccc3)c2C(=O)N1N 958589411 KOURWIVAJXVQAW-UHFFFAOYSA-N 271.345 2.936 0 1 CFAF O=C1CS[C@H](c2ccco2)c2cc3c(cc2N1)OCO3 1772642073 QAYOYPDZCFXUHW-AWEZNQCLSA-N 289.312 2.783 0 1 CFAF CN1CC[C@H](OCC(O)(c2ccccc2)c2ccccc2)C1 169325100 NGHXZFIAOUJPBC-SFHVURJKSA-N 297.398 2.643 0 1 CFAF COc1c(-c2ccc(O)cc2)oc2ccc(O)cc2c1=O 27864109 UPZKOXZROOTBEV-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF CSC(=O)c1sc(SC)[n+](-c2ccccc2)c1O 1642892 UXJRSCAVNNBOAT-UHFFFAOYSA-O 298.434 2.956 0 1 CFAF C[S@@](=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 3986171 RAECDKKKKNJXTF-NRFANRHFSA-N 298.363 2.892 0 1 CFAF COC(=O)C1=C(c2ccc3ccccc3c2)[C@H]2CC[C@@H]1N2 28825729 VMBQININAKGPQP-CABCVRRESA-N 279.339 2.901 0 1 CFAF O=C1C[C@H](c2ccc3c(c2)OC2(CCCCC2)O3)CN1 29488643 JHUMVNLBSYEZEQ-LBPRGKRZSA-N 273.332 2.722 0 1 CFAF O=C(NO)NCCc1ccc(Oc2ccccc2)cc1 28565059 XQTQPJFARUOTCR-UHFFFAOYSA-N 272.304 2.710 0 1 CFAF CN(C[C@H](O)c1ccccc1)C(=O)C=Cc1ccccc1 2356407618 GKTAUUQOAMJBMH-KRWDZBQOSA-N 281.355 2.892 0 1 CFAF COC(=O)[C@H](C)[C@@H]1C[C@@H](C(C)(C)C)OC(C)(C)O1 2356698525 ZWYLABZMMQLCDW-VWYCJHECSA-N 258.358 2.752 0 1 CFAF CC(=O)c1cccc(-n2c(C)nc3c(Cl)ncnc32)c1 45262115 ZGINVZNUTACYDK-UHFFFAOYSA-N 286.722 2.980 0 1 CFAF CCC(=O)OCc1ccc2ncc(Br)n2c1 84845517 FESVVSOICMPQJZ-UHFFFAOYSA-N 283.125 2.550 0 1 CFAF Clc1cncc(Nc2ccc([C@@H]3CNCCO3)cc2)n1 149997990 AMJLTHCNOFPOCQ-LBPRGKRZSA-N 290.754 2.535 0 1 CFAF COc1cc2c3c(cc(OC)c2cc1C)[C@@](C)(O)OC3=O 96914490 IFWYNKLMRXRPKE-INIZCTEOSA-N 288.299 2.501 0 1 CFAF NC(=O)[C@@H]1CCCc2c(-c3cc4ccccc4o3)n[nH]c21 299868576 RUZGSPBQRGHURB-LLVKDONJSA-N 281.315 2.728 0 1 CFAF COc1cncc2nc(-c3occ4c3CCC4)[nH]c12 586905614 VTWYYMRCMKZKNC-UHFFFAOYSA-N 255.277 2.715 0 1 CFAF O=c1c2cc(Cl)ccc2cnn1CCc1ccccn1 587652740 HHHSLLBSPGSTFD-UHFFFAOYSA-N 285.734 2.688 0 1 CFAF Cc1cc2nc([C@H](O)c3cccc(O)c3)[nH]c2cc1F 586890688 LPFUIYLCIPKQMZ-CQSZACIVSA-N 272.279 2.798 0 1 CFAF COc1cc2nc(CCOCC3CC3)[nH]c2cc1OC 587783352 PLNSAMYRYFJCRC-UHFFFAOYSA-N 276.336 2.549 0 1 CFAF COc1ccnc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587436676 UBSGGHYLMSPVGT-SJKOYZFVSA-N 297.310 2.588 0 1 CFAF O=[S@@](Cc1nc2cccc(Cl)c2[nH]1)CC1CC1 586959310 MUXKLUGRXYPTBX-QGZVFWFLSA-N 268.769 2.875 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](c1cnc[nH]1)CC2=O 587483180 LFBFWIFWFGWDQZ-AWEZNQCLSA-N 272.304 2.774 0 1 CFAF COC(=O)[C@]1(NC(=O)c2ccccc2)C[C@H]1c1ccccc1 118105678 LGIDKESKAMWAIV-YJBOKZPZSA-N 295.338 2.516 0 1 CFAF COc1ccccc1CNC(=O)C1=Cc2ccncc2CC1 5929214 WIZPCJOVWPWGCB-UHFFFAOYSA-N 294.354 2.736 0 1 CFAF O=C(NCCCc1ccccc1)OCCCc1c[nH]cn1 13747102 KDKYNTUMWXHVMX-UHFFFAOYSA-N 287.363 2.701 0 1 CFAF O=C1NN(c2ccccc2)C[C@H]1SCc1ccccc1 13821627 QNVPRDJQGAYRAY-OAHLLOKOSA-N 284.384 2.840 0 1 CFAF CC(C)NC(=S)Nc1nc2c(s1)CCCC2 13933919 GYOSVYBVVSTBKS-UHFFFAOYSA-N 255.412 2.717 0 1 CFAF CN1CCc2cc3c(c4c2[C@H]1Cc1cc(O)ccc1-4)OCO3 14850343 GSJMHLODFXWNEV-CQSZACIVSA-N 295.338 2.873 0 1 CFAF CN1CCC[C@H]1COc1cc(COc2ccccc2)on1 1857614719 LDDBQTACERUPKM-ZDUSSCGKSA-N 288.347 2.727 0 1 CFAF O=c1cc(-c2ccccc2)sc(N2CCOCC2)c1 1492318 ZRGAPZKMQHRLTD-UHFFFAOYSA-N 273.357 2.612 0 1 CFAF in-vivo CCC(C)(C)NC[C@@H](O)c1cccc(OC(=O)N(C)C)c1 1911574230 KBTSHCUJZREOEJ-CQSZACIVSA-N 294.395 2.559 0 1 CFAF O=C1NC[C@@H]2c3c(cccc31)CCN2Cc1ccccc1 45347797 AKZIIMCENGVIGG-MRXNPFEDSA-N 278.355 2.529 0 1 CFAF N[C@@H](c1ccccc1)[P@@](=O)(O)Oc1ccccc1 49089782 YFMCMTKMORZIAD-CYBMUJFWSA-N 263.233 2.908 0 1 CFAF CC(C)=CCOc1cc2oc(=O)ccc2c2c1OCO2 196444388 JHGZOAUSPBHOGM-UHFFFAOYSA-N 274.272 2.867 0 1 CFAF biogenic,in-vitro CC(C)C[C@@H](O)c1c2c(cc3ccc(=O)oc13)OCO2 238773309 OHYSCNFPDWQZAH-SNVBAGLBSA-N 276.288 2.601 0 1 CFAF COc1cnc(-c2nc3c(OC)nccc3[nH]2)cc1Cl 587065365 YKAAMDUBVHGFDF-UHFFFAOYSA-N 290.710 2.691 0 1 CFAF COc1ccc(C=O)cc1-c1nc2ccc(CCO)cc2[nH]1 587786580 IIGPQDHDIMBZFF-UHFFFAOYSA-N 296.326 2.586 0 1 CFAF COc1c(F)ccc(F)c1-c1nc2ccnc(O)c2[nH]1 587132697 JQUQNXRLWCPKEA-UHFFFAOYSA-N 277.230 2.617 0 1 CFAF FC(F)(F)OCc1nc2ccc(Br)nc2[nH]1 587126122 VLJPTYPBDLPRCA-UHFFFAOYSA-N 296.046 2.757 0 1 CFAF Cc1cc(Br)c2[nH]c(C[C@@H](C)O)nc2c1 586890780 OVANUMWBRSKJDC-SSDOTTSWSA-N 269.142 2.557 0 1 CFAF COc1cc2c3c(c1)O[C@H](CC(C)(C)OC)[C@@H](C2)C3=O 587439179 KGYNDESZALTJCG-DGCLKSJQSA-N 276.332 2.626 0 1 CFAF COc1cc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c2cn1 586907192 USFFCZPPTLULFJ-QPEQYQDCSA-N 293.282 2.635 0 1 CFAF Cc1cc(C)n(C(=O)c2coc(-c3cccc(O)c3)n2)n1 1772602471 HKBOBOYCOZWFQY-UHFFFAOYSA-N 283.287 2.549 0 1 CFAF CN(C)CCNC(=O)c1cccc2c1[nH]c1ccccc12 5957837 HNZRBQMZFQWKJW-UHFFFAOYSA-N 281.359 2.613 0 1 CFAF CCCSc1nsnc1O[C@H]1CN2CCC[C@@H]1C2 13777612 XZSKFNOPUAZERB-ZJUUUORDSA-N 285.438 2.513 0 1 CFAF COc1ccc2nc(-n3c(O)c[nH]c3=S)sc2c1 169689607 UFRZTIKHHAPEIV-UHFFFAOYSA-N 279.346 2.859 0 1 CFAF COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@H]2CC[C@@H]1N2C 6482443 QUSLQENMLDRCTO-KBXIAJHMSA-N 277.339 2.565 0 1 CFAF CC1(C)C[C@H](O)C[C@](C)(CNC(=O)c2ccccc2O)C1 26996112 HRXCLBHABYXFES-SJCJKPOMSA-N 291.391 2.699 0 1 CFAF c1cncc(CNc2nnc(-c3c[nH]c4ncccc34)o2)c1 103245739 HKISDSMKRWOKGX-UHFFFAOYSA-N 292.302 2.620 0 1 CFAF COc1ccc(O[C@@H](CC(C)C)[C@H]2CCNC2)c(C)n1 68247258 SNNRWIBSGBMYRF-ZFWWWQNUSA-N 278.396 2.802 0 1 CFAF CC1(C)C[C@@](C)(C(N)=O)c2cn(-c3ccccc3)c(C=O)c21 28013808 GXCVQHYPQVVGNU-GOSISDBHSA-N 296.370 2.714 0 1 CFAF CC1(C)[C@H]2CC[C@@H]3CCC[C@H]4[C@H](O)C(C(=O)O)=C(C2)[C@@]341 2356504603 XJERJSQMJZUBLS-KJDPQERRSA-N 276.376 2.985 0 1 CFAF CO[C@@H]1Oc2ccc(O)cc2-c2ncc3c(c21)CCC3 2356728189 AYNKXQSWVXZEJE-MRXNPFEDSA-N 269.300 2.980 0 1 CFAF Cn1nc(Cc2cccc3ccccc23)c2c(N)ncnc21 71281907 SZRCRQLPOHAVJL-UHFFFAOYSA-N 289.342 2.690 0 1 CFAF COc1cc2c(cc1OC)[C@@H]([C@H](O)c1ccccc1)NCC2 31829819 VJCADSFAKULTBF-ZWKOTPCHSA-N 299.370 2.624 0 1 CFAF Cc1ccc(-c2nc(CNc3cc[nH]n3)co2)cc1 72102855 SRLBPDPKVGNIMT-UHFFFAOYSA-N 254.293 2.985 0 1 CFAF CCCN[C@H](C)C(=O)Nc1nsc2ccccc12 40918583 NAJWEQVNNGBYMA-SECBINFHSA-N 263.366 2.623 0 1 CFAF COc1cc(CCCNC(C)=O)c2ccccc2c1 82155302 KYMDEEHMUSOUQH-UHFFFAOYSA-N 257.333 2.917 0 1 CFAF c1ccc(-c2ccc3c(c2)CNCc2cnnn2-3)cc1 95602725 QKWWKJOTNLVJCR-UHFFFAOYSA-N 262.316 2.538 0 3 CFAF C[C@@H](N)[C@H]1CC[C@H](C(=O)Nc2ccnc3[nH]ccc23)CC1 257810762 DWTNLZZEPSCAIH-IJLUTSLNSA-N 286.379 2.655 0 1 CFAF CN1CC[C@@H]2[C@H](CCC[C@H]2NC(=O)c2ccccc2)C1 299804605 IVYNIYYTFLHWEX-BZUAXINKSA-N 272.392 2.537 0 1 CFAF O=C(/C=C\c1nc2cnc(Cl)[nH]c-2n1)Nc1ccccc1 587243812 IPEQMQZLBHTSFO-SREVYHEPSA-N 299.721 2.610 0 1 CFAF Oc1nccc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 587018155 UXPQRNCGHGAYGN-UHFFFAOYSA-N 298.327 2.971 0 1 CFAF COc1ccc(Cc2nc3cnccc3[nH]2)c(F)c1 587149321 QQNKJTPBVJLJGS-UHFFFAOYSA-N 257.268 2.696 0 1 CFAF Cc1nc(-c2c[nH]cc2-c2nc3cnncc3[nH]2)cs1 587022535 ZYKDTGKYTHXPOK-UHFFFAOYSA-N 282.332 2.780 0 1 CFAF COc1ccc2nc(-c3nc4c(=N)[nH]ccc4[nH]3)sc2c1 587034391 FMSGTUVBLYISQF-UHFFFAOYSA-N 297.343 2.656 0 1 CFAF NC(=O)c1ccc2[nH]c(-c3cc4c(s3)CCC4)nc2c1 587036519 DKZGAZNLRYMTEE-UHFFFAOYSA-N 283.356 2.879 0 1 CFAF CC(C)COc1cccc(OCc2nc3cncnc3[nH]2)c1 587565978 OLYBVWNMVDOITA-UHFFFAOYSA-N 298.346 2.967 0 1 CFAF COc1ccc2c(c1)C[C@@H](c1nc3ccnc(O)c3[nH]1)CC2 587945545 GBWVELDZTAJLAQ-NSHDSACASA-N 295.342 2.945 0 1 CFAF Cc1ccnc2c1CCN[C@]2(C)c1cc(Cl)ccn1 963072576 MLVVDGIHALSCJA-OAHLLOKOSA-N 273.767 2.848 0 1 CFAF CN1CCc2cnn(C)c2[C@@]12CCc1c(Cl)cccc12 963953848 DKTJAVKAIMEQJG-INIZCTEOSA-N 287.794 2.751 0 1 CFAF COc1cccc2c1C=[N+](c1ccccc1O)CC2 1772576378 QSWUUAQZHRHONN-UHFFFAOYSA-O 254.309 2.720 0 1 CFAF COc1ccc(-c2[nH]nc3c2C(=O)c2ccncc2-3)cc1 12354812 MCJFSDYPTREMSW-UHFFFAOYSA-N 277.283 2.692 0 1 CFAF COc1ccc(SC)c2c1C[C@@H]1[C@@H](C2)O[C@@H](C)CN1C 13449144 AIHRHPNPPYSHMX-PSOPSSQASA-N 293.432 2.603 0 1 CFAF Oc1ccccc1-c1nc(S)n(Cc2ccccc2)n1 13536815 JMWBAXSMEBRWRT-UHFFFAOYSA-N 283.356 2.988 0 1 CFAF COc1ccc2c(c1)C(=O)[C@@H](O)[C@H](/C=C/c1ccccc1)O2 18165326 ZUVYPUCXQZJIJC-REQWGJQJSA-N 296.322 2.713 0 1 CFAF Cc1[nH]c(-c2ccccc2)c2nc(N(C)C)oc(=O)c12 1857069 FHVGKFLBKYBWEK-UHFFFAOYSA-N 269.304 2.558 0 1 CFAF CC(=O)O[C@H]1C[C@@H](C(C)C)[C@H](OC(C)=O)C[C@@H]1C 103181447 FSRTUVLTWLHBJZ-NZPIUUIZSA-N 256.342 2.552 0 1 CFAF CN1[C@H]2CC[C@H]1CC(NC(=O)N1CCCc3ccccc31)C2 101225143 LQAZUOYNZJPCBQ-HOTGVXAUSA-N 299.418 2.774 0 1 CFAF CN(C)c1cc(-c2cccc(-c3cc[nH]n3)c2)ncn1 23430351 REIYMBHTNHVZID-UHFFFAOYSA-N 265.320 2.600 0 1 CFAF O=C(NN1CCc2ccccc2C1)OCc1ccccc1 29472780 BANQHCIEXJUEIF-UHFFFAOYSA-N 282.343 2.886 0 1 CFAF CC(=O)Nc1c(NCC(C)C)c2ccccc2oc1=O 102155013 PLSVEWYLUAVOER-UHFFFAOYSA-N 274.320 2.819 0 3 CFAF COc1cncc(N/C(=C/[N+](=O)[O-])N[C@@H](C)C(C)(C)C)c1 100028704 CDONENYHRNSTMQ-YWEFTTLKSA-N 294.355 2.602 0 1 CFAF NS(=O)(=O)c1ccc(/C=C/c2ccsc2)cc1 64573514 JQHQATMSMAURMY-OWOJBTEDSA-N 265.359 2.566 0 1 CFAF in-vivo CN(C)C[C@@H](O)C(c1ccccc1)c1ccccc1 39245501 ASBXBNZDJKXAPG-MRXNPFEDSA-N 255.361 2.741 0 1 CFAF Cc1ccc(C(=O)N[C@H]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 40655858 XSTDZAMTGIEXQR-IKGGRYGDSA-N 286.419 2.845 0 1 CFAF O=c1c2c([nH]n1-c1ccc(Cl)cc1)[C@@H]1CCC[C@H]1N=C2 137031713 GSLDBWNPXFIQAV-DGCLKSJQSA-N 287.750 2.888 0 1 CFAF CC(=O)OCCCCCCCOc1cccnc1 84707497 BZHAANLCWULVKQ-UHFFFAOYSA-N 251.326 2.974 0 1 CFAF COc1cc2c3c(c1O)-c1cc(N)ccc1C[C@H]3N(C)CC2 1911574646 LVGQSPSRQGIUSM-CQSZACIVSA-N 296.370 2.735 0 1 CFAF CO[C@H]1OC[C@]2(C)c3c(ccc(C)c31)C(C)(C)[C@H]2O 40935658 AVNDXVWMCIPVIY-SQWLQELKSA-N 262.349 2.580 0 1 CFAF Fc1cccc(CN(Cc2nnn[nH]2)c2ccccc2)c1 95249660 MTMBHUBKSGPBCL-UHFFFAOYSA-N 283.310 2.546 0 1 CFAF Cc1cc(C)n(C[C@@H](C)C(=O)Nc2ccccc2)n1 621476564 VGVYHFFHWAQNKG-LLVKDONJSA-N 257.337 2.775 0 1 CFAF O=C1OCC(c2ccccc2)=C1[C@@H](O)c1ccccc1 299835668 MIYFJCIRAHGELB-INIZCTEOSA-N 266.296 2.731 0 1 CFAF O=C1C[C@@]2(CCC[C@@H]2O)Oc2c1ccc1c2CCCC1 587529784 DMSGIMNNLSVWGL-DOTOQJQBSA-N 272.344 2.814 0 1 CFAF N=c1[nH]c2nc(C[C@@H]3C[C@H]3c3ccccc3)nc-2c(Cl)[nH]1 587960543 MGKDWNKLNUFJGA-UWVGGRQHSA-N 299.765 2.717 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@@H]1CCO)O2 587405981 ZPPCILFPPAIOTI-PXAZEXFGSA-N 289.375 2.854 0 1 CFAF COc1ncccc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587394345 UKRPIRCIKOBHOT-QGZVFWFLSA-N 298.342 2.861 0 1 CFAF CC(=O)c1ccc2nc(CC(C)(C)CC(=O)O)[nH]c2c1 587955853 RLKIUTZXSHBNIB-UHFFFAOYSA-N 274.320 2.809 0 1 CFAF CC/C(=C/c1nc2c[nH]c(=N)[nH]c-2n1)c1ccc(C)cc1 587968901 WEKISEUGZGSINL-FLIBITNWSA-N 279.347 2.976 0 1 CFAF COC[C@]1(CC(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442476 XYKIDTSUEKEFKN-DYVFJYSZSA-N 290.359 2.874 0 1 CFAF c1ccc([C@@H]2C[C@H]2Cc2nc3ncc[nH]c-3n2)cc1 587959540 GQJHRVLXFVOAQP-RYUDHWBXSA-N 250.305 2.651 0 1 CFAF COc1cc2nc([C@@H](N)[C@@H](C)F)[nH]c2cc1Cl 587125540 SFUCRRRVZPPDGS-FWOIEVBISA-N 257.696 2.583 0 1 CFAF COc1ccc2c(c1)[C@H](c1cnc(C)n1C)N[C@@H]1CC[C@@H]21 962998937 XCTODPUSCJZVEB-YSVLISHTSA-N 283.375 2.676 0 1 CFAF CCN(CC)c1nc2sc3c(c2c(=O)o1)CCC3 13528671 GCQUOBKUEHYBMC-UHFFFAOYSA-N 264.350 2.584 0 1 CFAF COC(=O)/C(C)=C/[C@H](C)C[C@H](C)C[C@@](C)(O)C[C@@H](C)O 169358058 IQQFJADQXWBZGX-AAKYVKCESA-N 286.412 2.680 0 1 CFAF CN1CC[C@@]23CCCC[C@H]2[C@H]1Cc1ccc(N)cc13 164367100 CYPHSPITDGFDMD-UAGQMJEPSA-N 256.393 2.957 0 1 CFAF COC(=O)[C@@H]1CC[C@]2(C)[C@@H]3COC(=O)C3=CC[C@H]2C1(C)C 2356332393 CIXCKWJWPAIIEX-PFHKOEEOSA-N 292.375 2.721 0 1 CFAF C[C@H]1CC[C@H]2C(=O)N(c3ccc(Cl)cc3O)C(=O)[C@@H]2C1 100670957 YEAOZNSIKNZQPW-JMJZKYOTSA-N 293.750 2.971 0 1 CFAF COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C)c(F)c1)N2 101127076 QDZIBQWKRRRXAL-OSRDXIQISA-N 277.339 2.531 0 1 CFAF O=C(O)CC1(c2ccc(F)cc2)[C@@H]2CCC[C@@H]1COC2 101450651 UEEXLIOOVWMWCE-CHWSQXEVSA-N 278.323 2.985 0 1 CFAF Oc1cc(O)nc(Nc2nc(-c3ccccc3)cs2)n1 2356453873 PEANRVLJWZOUFW-UHFFFAOYSA-N 286.316 2.755 0 1 CFAF Cc1ccc(O[C@H](C)[C@H](O)CNC(C)(C)C)cc1C 28227901 CLPPOWPFUZBPDZ-UKRRQHHQSA-N 265.397 2.820 0 1 CFAF CC1=C[C@]2(C)[C@@H](C)CC=C[C@]2(CCC(=O)O)OC1=O 2356799450 ULVSTVCBVJUBTL-NILFDRSVSA-N 264.321 2.695 0 1 CFAF COc1ccc(CCC(=O)CP(=O)(OC)OC)cc1 34235188 VTBOWDAGCUAHMR-UHFFFAOYSA-N 286.264 2.683 0 3 CFAF CCOC(=O)C1=CC[C@H]2C(=O)c3cc(Cl)ccc3O[C@H]12 38341394 DMIKYSWFHISWGS-XPTSAGLGSA-N 292.718 2.793 0 1 CFAF CC(C)CN(C(=O)c1cccc(F)c1Cl)[C@@H]1CCNC1 215926373 KKHPGFXTXRPZGB-LLVKDONJSA-N 298.789 2.939 0 1 CFAF in-vitro COc1cc2c3c(c1O)-c1cc(N)ccc1C[C@@H]3N(C)CC2 1911574645 LVGQSPSRQGIUSM-AWEZNQCLSA-N 296.370 2.735 0 1 CFAF CN(C)c1ncc(-c2nc3ccc(O)cc3s2)cn1 49055652 BQJMOMWOHFBQHO-UHFFFAOYSA-N 272.333 2.525 0 1 CFAF CC(=O)O[C@@H]1C[C@@H]2CC[C@H]([C@H]1Cc1ccccc1)N2C 238762213 OGPKDZFHCUWZQQ-YLFCFFPRSA-N 273.376 2.644 0 1 CFAF O=c1c(Cc2ccncc2)coc2cc(F)ccc12 653709134 OCBNOJQCXPPEOP-UHFFFAOYSA-N 255.248 2.918 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cscn1)O2 587413818 PIDWVLYTDXFXOR-AWEZNQCLSA-N 274.345 2.914 0 1 CFAF OCCc1ccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2c1 587176974 XUDHDUFFWDXGDB-UHFFFAOYSA-N 296.305 2.780 0 1 CFAF O=C(O)c1ccccc1/C=C\c1nc2cccnc2[nH]1 586881336 WRIBTBAGSPERRV-FPLPWBNLSA-N 265.272 2.827 0 1 CFAF C[C@@H](O)c1ncc(-c2nc3cc(Cl)ncc3[nH]2)s1 587022592 RJNYHVQWEVYJAC-RXMQYKEDSA-N 280.740 2.788 0 1 CFAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H]1CCNC1)CC2=O 587479604 CLDMLTPXLVKPQH-PIGZYNQJSA-N 289.375 2.678 0 1 CFAF CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@H]3N 13806922 DAKGDRVNCPHAPY-KDOFPFPSSA-N 262.356 2.800 0 1 CFAF CC(=O)OCn1c(=O)c2c(c3ccccc31)OC(C)(C)C=C2 15216796 JXPDGNCKRXEJET-UHFFFAOYSA-N 299.326 2.706 0 1 CFAF endogenous,in-man O=C(NC1CCC1)c1cc(Oc2cccnc2)ccn1 167542211 JBRYOHHTHQHYRE-UHFFFAOYSA-N 269.304 2.551 0 1 CFAF O[C@@]1(c2ccccc2)c2c(Cl)cccc2C2=NCCN21 3610029 KGXSWLWIHQIERE-INIZCTEOSA-N 284.746 2.609 0 1 CFAF O=C(O)c1cc2c(s1)-c1ccccc1[S@@](=O)C2 584636279 PMOFXYJOFKKKPH-KRWDZBQOSA-N 264.327 2.735 0 1 CFAF Cc1ccc(-n2c(=O)[nH]c3ccc(Cl)cc3c2=O)cc1 382829 PXKGTNUFNNOHLF-UHFFFAOYSA-N 286.718 2.641 0 1 CFAF CC[C@@H](C)NC(=O)C1=C(C)C(=O)OC12CCCCCC2 6933190 IMZUIFSFFBLSOA-LLVKDONJSA-N 279.380 2.867 0 1 CFAF Cc1cccc(Cl)c1NC(=O)/C=C1/SCC(=O)N1C 100376204 YJXQTIXFPYPQFT-WUXMJOGZSA-N 296.779 2.634 0 1 CFAF in-man CC(=O)[C@H]1[C@H](c2ccc(C)cc2)c2c(C)n[nH]c2C[C@@]1(C)O 8557811 PBWCMHJLIJHSOE-FGTMMUONSA-N 298.386 2.671 0 1 CFAF CCCN(CCC)[C@@H]1Cc2ccc(C(=O)O)c(O)c2C1 26168537 CNMUKNJASBEWKD-GFCCVEGCSA-N 277.364 2.680 0 1 CFAF COC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O 36338574 MPUMXPGVPTWUJV-WEVVVXLNSA-N 292.331 2.515 0 1 CFAF c1csc([C@@H]2ON=C(c3ccc4c(c3)OCO4)O2)c1 72118866 MSFMJIIMWRMNLJ-ZDUSSCGKSA-N 275.285 2.884 0 1 CFAF COc1cccc2c1[nH]c1c([C@@H](C)O)ncc(OC)c12 138159188 UOVOIXVARRWARZ-MRVPVSSYSA-N 272.304 2.787 0 1 CFAF C[C@H]1CCC[C@@H]2CC3=C([C@@H](O)[C@]12C)[C@@H](C)C(=O)O3 238741068 VMUFDWQSKQTRRF-MNUQXQRLSA-N 250.338 2.641 0 1 CFAF COc1cc2nc(Cc3ccc(OC)c(OC)c3)[nH]c2cn1 587925255 DHCDYUFASBSOHY-UHFFFAOYSA-N 299.330 2.575 0 1 CFAF Nc1cccc(C(=O)O)c1-c1nc2cc(F)cc(F)c2[nH]1 587248447 PXXDDZMRPHCMPO-UHFFFAOYSA-N 289.241 2.789 0 1 CFAF Nc1ccnc2[nH]c([C@@H]3Cc4ccccc4S3)nc12 587041425 BTNQJNLCXKXGMA-NSHDSACASA-N 268.345 2.930 0 1 CFAF c1c[nH]c2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc-2n1 586887168 FIKRIMRZKMQIET-KIGUWFBYSA-N 254.337 2.772 0 1 CFAF Cc1cc(Cl)cc2nc([C@H](O)C3CCOCC3)[nH]c12 586912369 CTCOUECWUGJVEZ-CYBMUJFWSA-N 280.755 2.985 0 1 CFAF CCOc1ccccc1OCc1nc2ccc(OC)nc2[nH]1 587781044 OXOPFALUCBYLMC-UHFFFAOYSA-N 299.330 2.944 0 1 CFAF Nc1ccnc2[nH]c(/C=C\c3ccc(F)cc3F)nc12 587148837 ALAXKZWNWOINLE-RQOWECAXSA-N 272.258 2.989 0 1 CFAF Fc1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1F 587144800 AVOYZBDNTWSOPJ-UHFFFAOYSA-N 266.638 2.903 0 1 CFAF COc1cccc2cc3c(nc12)[C@@H](CC[C@@H]1CCO1)NCC3 963059772 UPCFJUKMGRHVPN-HUUCEWRRSA-N 298.386 2.999 0 1 CFAF COc1ccc(S(=O)(=O)/C=C/c2ccc(F)nc2)cc1 1857596607 JYCIUKRPZGXUDG-CMDGGOBGSA-N 293.319 2.674 0 1 CFAF NC(=S)c1cccc(-c2ccnc3[nH]ccc23)c1 1857615483 NNPTYKMENPZYFB-UHFFFAOYSA-N 253.330 2.864 0 1 CFAF COc1cc(CCC(=O)c2cccc(O)c2)ccc1O 1772583377 JLRWDLCVQRUMQD-UHFFFAOYSA-N 272.300 2.922 0 1 CFAF O=S1(=O)N[C@@H](CC2=CCCCC2)[C@@H]2CCCC[C@@H]2O1 12466330 ZOYSOWHUNKOULN-IHRRRGAJSA-N 285.409 2.669 0 3 CFAF S=C(NCCCCCc1c[nH]cn1)NC1CCCCC1 13741809 KUPSNGBUPNAIBJ-UHFFFAOYSA-N 294.468 2.919 0 1 CFAF CCc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1 169295336 UJNWYPNAZVAHEA-XOUADPBQSA-N 281.355 2.951 0 1 CFAF CC(C)C1=C(O)[C@H]2[C@](C)(CC1)[C@@H](O)CC[C@@]2(C)O 2356331646 MCIPMASIVZSBIJ-SPWCGHHHSA-N 254.370 2.777 0 1 CFAF O[C@@]12[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@@H]1[C@H]6[C@H]([C@@H]35)N2Cc1cccc(Cl)c1 101668925 QSSZMHMBGVJKCS-LJJLULSFSA-N 299.801 2.601 0 1 CFAF CC(C)CNc1nn2c(-c3ccncc3)cnc2s1 64475208 BWXFREREELCTCS-UHFFFAOYSA-N 273.365 2.921 0 1 CFAF c1cn(CCCn2cc(CC3CCCCC3)nn2)cn1 66114246 URLZEOPFRQZBGW-UHFFFAOYSA-N 273.384 2.688 0 1 CFAF COc1c(O)cc(C=Cc2cc(O)cc(O)c2)cc1O 2356642279 BKJYMZRGLINXRP-UHFFFAOYSA-N 274.272 2.688 0 1 CFAF CN1CCC[C@H]1c1ccc[n+](Cc2ccccc2)c1 39286353 JJNAJOIMLAEXCD-KRWDZBQOSA-N 253.369 2.789 0 1 CFAF COc1ccc2c(c1)C(=O)C(c1ccc(C(C)=O)cc1)=[N+]2[O-] 45302556 IEPNROOKKAXLSS-UHFFFAOYSA-N 295.294 2.725 0 1 CFAF Cc1cc(-c2ccc3occ(CCN)c3c2)cnc1N 45228267 SXTZOVRYOZUSSC-UHFFFAOYSA-N 267.332 2.887 0 1 CFAF C[C@@H]1C[C@H](CC2=[N+]([O-])CCCC2)[C@H]2CCCN[C@@H]2C1 238756617 LOKZTKJBSRMBJH-RRCSTGOVSA-N 264.413 2.926 0 1 CFAF COc1ccccc1C1=NO[C@@H](Cc2ccccc2)O1 95585628 ARFUCNADGLSQKO-HNNXBMFYSA-N 269.300 2.972 0 1 CFAF C=C1CC[C@H]2[C@H](C)C(=O)O[C@H]2C=C(C)CC[C@@H]1O 299806935 LEXBBZCFWJNTGC-XUXIUFHCSA-N 250.338 2.602 0 1 CFAF CC(=O)OC[C@](C)(O)[C@H]1/C=C/[C@](C)(O)CCC=C(C)CC1 261498158 RTFVWCRRSNVOBR-VWNWYDOJSA-N 296.407 2.744 0 1 CFAF endogenous,in-man C[C@H](c1nc2cc3cn[nH]c3cc2[nH]1)n1cc(Cl)cn1 587081808 GNGMJLTZKLMVFY-SSDOTTSWSA-N 286.726 2.898 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccn3nccc3c1)O2 587394904 LDHUJTYYTOCTED-MRXNPFEDSA-N 293.326 2.931 0 1 CFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C=O 587862962 NHOOMAVDOAPTRD-UHFFFAOYSA-N 270.210 2.616 0 1 CFAF C[C@@H]1O[C@H]1c1nc2cccc(OC(F)(F)F)c2[nH]1 586917881 XOGJDVUJFWSKFY-SSDLBLMSSA-N 258.199 2.921 0 1 CFAF CCOC(=O)[C@@H]1Cc2nc3cccc4c3c(c2C1)CC4 587212836 VWMPDKDJVUQTMW-NSHDSACASA-N 267.328 2.611 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](O)C(C)(C)C1)O2 587404133 NUZHNHKHGCUGQQ-YOEHRIQHSA-N 289.375 2.852 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccn3ccnc3c1)O2 587394508 WSUBVWCRVZBQAC-HNNXBMFYSA-N 293.326 2.931 0 1 CFAF CC1=CC[C@@H](c2ccc3c(O)nc(O)nc3n2)CC1 587561959 MUSSXRNZOTYORW-SECBINFHSA-N 257.293 2.650 0 1 CFAF COc1ccc(S(=O)(=O)/C=C/c2ccncc2)cc1 1857557074 UYXIUMBPTWOROH-DHZHZOJOSA-N 275.329 2.535 0 1 CFAF CCN1CCOc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21 14967266 RZXFACZHKGAOSC-UHFFFAOYSA-N 298.264 2.766 0 1 CFAF COc1ccc(C[C@H]2Cc3cccc(O)c3C2=O)cc1 1857636206 NAMHUAUGFAUQSF-ZDUSSCGKSA-N 268.312 2.999 0 1 CFAF Nc1ccc2ccc(C(=O)c3ccc(F)c(O)c3)nc2c1 1857636457 IPBQJHMXDVZREP-UHFFFAOYSA-N 282.274 2.893 0 1 CFAF O=C1c2cccnc2C(=O)N1Cc1ccc(Cl)cc1 212427 HHOKMNXOLOJYJR-UHFFFAOYSA-N 272.691 2.531 0 3 CFAF COC(=O)C/C=C1\c2ccccc2OC[C@@H](OC)[C@H]1C 102816871 APVLMEMJLXYXSR-TXSGFDOJSA-N 276.332 2.677 0 1 CFAF COc1cc2c(cc1OC)C(C)=[N+]([O-])[C@@H](c1ccncc1)N2 100015696 UZRMVLFHQANQJZ-INIZCTEOSA-N 299.330 2.542 0 1 CFAF CCC(=O)NCCc1cn(C)c2c(C)cc(OC)cc12 28815146 CEODAXGMKGFRFM-UHFFFAOYSA-N 274.364 2.564 0 1 CFAF CNC(=O)NC[C@@H]1C[C@H]1c1cccc2c1O[C@@H](C(C)C)N2 28223330 LUMLPSQDBFEZGL-NVBFEUDRSA-N 289.379 2.506 0 1 CFAF CC1(C)C(=O)[C@H]2c3ccccc3[C@@H]1[n+]1ccccc12 27518624 FOIKFBKEQLCUEJ-GJZGRUSLSA-N 250.321 2.618 0 1 CFAF CC(=CC(=O)O)[C@@H]1OC[C@]23CCCC(C)(C)[C@@H]2[C@@H]13 2356528574 ZTYVCEZGXCLVBN-OSFYFWSMSA-N 250.338 2.859 0 1 CFAF Oc1ccc(CO[C@@H]2COc3cc(O)ccc3C2)cc1 2356566376 FRZFMOIHZONFCZ-HNNXBMFYSA-N 272.300 2.618 0 1 CFAF C[C@H](O)C[C@@H]1CCC[C@@H](CC(=O)c2ccccc2)N1C 2356658269 MMIDMSZRVRHQIJ-BPUTZDHNSA-N 275.392 2.883 0 1 CFAF CC(=CC(=O)O)CC[C@]1(C)C(C)=C(CO)[C@@H](C)[C@@]1(C)O 2356736121 UFVJSNUROFSAJQ-DAXOMENPSA-N 282.380 2.513 0 1 CFAF CC[C@@H](O)CCCCCCCC(=CCC(=O)O)C(=O)O 2356753000 MESIJDRGJINUCT-CYBMUJFWSA-N 286.368 2.974 0 1 CFAF C[C@@H]1N(C)C(C)(C)CO[C@@]1(O)c1ccc(Cl)cc1 70672963 XVUDIIQDUSBBTF-IINYFYTJSA-N 269.772 2.614 0 1 CFAF O=c1c2ccccc2nnn1-c1ccc2ccccc2c1 82158136 MMCAXYMQUBZBAJ-UHFFFAOYSA-N 273.295 2.934 0 1 CFAF CCCCNC(=O)c1coc(-c2cccs2)n1 82086328 HXBXKAHLXXYWOB-UHFFFAOYSA-N 250.323 2.933 0 1 CFAF COc1ccc(/C=C/c2cc(SC)nc(N)n2)cc1 96914149 BONVRNCNXDHMLP-ZZXKWVIFSA-N 273.361 2.960 0 1 CFAF Cc1nc(-c2ccoc2)n(CC(=O)N(C)CC(C)C)c1C 299852168 OLABLGWPLIFYJQ-UHFFFAOYSA-N 289.379 2.874 0 1 CFAF c1coc(CN2CC[C@H]3O[C@@H](COCC4CC4)CC[C@@H]32)c1 299841680 BIRUMVQEQOKOKO-IXDOHACOSA-N 291.391 2.828 0 1 CFAF Fc1ccc2nc(CCOCC3CC3)[nH]c2c1F 587783601 WMNRZIMLYXJCHH-UHFFFAOYSA-N 252.264 2.810 0 1 CFAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](N)C(C)C)nc2c1 587258807 LHGGDCVQTKIBGC-JTQLQIEISA-N 281.743 2.659 0 1 CFAF CC(C)C[C@H](O)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586902086 XMNXTKSZLLJAAT-AWEZNQCLSA-N 288.326 2.967 0 1 CFAF COc1ccc2nc(Cc3cc(N)ccc3F)[nH]c2c1 587141663 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5146947 QCIYUGBNEDKYJE-UHFFFAOYSA-N 297.402 2.511 0 1 CFAF COc1cccc(OC)c1Cn1cc[nH]c1=S 13776264 OSQMKHOZAZZBJP-UHFFFAOYSA-N 250.323 2.611 0 1 CFAF C=Cc1ccc([C@@H]2C[C@@H]3CC[C@@H](N3)[C@@H]2C(=O)OC)cc1 169318327 KHYFCJWXLVZFLY-CAOSSQGBSA-N 271.360 2.727 0 1 CFAF Nc1nc(-c2ccco2)nc2sc(CN3CC=CC3)cc12 169329937 QQIOCFQBLXDVEC-UHFFFAOYSA-N 298.371 2.905 0 1 CFAF C[C@@H]1CC[C@H]2C(C)(C)C(=O)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]23O4 169364659 DETKYIOHRCKRIT-ODLIZQGFSA-N 280.364 2.853 0 1 CFAF COc1ccc2ccc3c(c2c1)C[C@H](CNC(C)=O)CO3 13781842 LIERNWCQAQMEAW-GFCCVEGCSA-N 285.343 2.536 0 1 CFAF Nc1ccc(Cl)c[n+]1Cc1cccc2cccnc12 3169607 OCCSMYOYBCRWRY-UHFFFAOYSA-O 270.743 2.806 0 3 CFAF Cn1ccc2cc(-c3nc4ccc([18F])nc4o3)cnc21 100657492 WYQHKOHCTMNFAU-HUYCHCPVSA-N 267.254 2.916 0 1 CFAF COc1c(C2=NO[C@@H](n3ccnc3)C2)ccc2occc12 28572232 RQEMIGBXKFLFLJ-CQSZACIVSA-N 283.287 2.961 0 1 CFAF COc1ccc(C(=O)c2ccc3c(c2)[C@H](C)C(=O)O3)cc1 29400839 CXVIGONHENELOV-JTQLQIEISA-N 282.295 2.949 0 1 CFAF CN1[C@H]2CC[C@@H]1C[C@]1(CC(OCc3ccccc3)=NO1)C2 103040849 AAVCJUNKQGMKLL-SCAQPMJSSA-N 286.375 2.932 0 1 CFAF c1ccc(Cn2cc(-c3ccc4[nH]ncc4c3)nn2)cc1 63298284 GVMDVMPNOAVKJR-UHFFFAOYSA-N 275.315 2.870 0 1 CFAF O=Cc1ccc(OCOc2ccc(C=O)cc2)cc1 39398266 QEHCOKQZYDOENB-UHFFFAOYSA-N 256.257 2.727 0 1 CFAF Cc1c(O)cc2c3c1[C@H](C)[C@@H](C)O[C@H]3C[C@@](C)(O)O2 198959336 LIDCFZYKZYLCJT-ARYGOODISA-N 264.321 2.755 0 1 CFAF COc1ccc(-c2oc3ccccc3c(=O)c2O)cc1O 220382669 LJHOYEXLNJWJDE-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF CO[C@@]12C[C@]34O[C@H]3CC[C@H](C)[C@@]4(C)CC1=C(C)C(=O)O2 85847417 HKAIYTYUJIXIHQ-OHHJKGJQSA-N 278.348 2.570 0 1 CFAF O[C@@]1(c2ccc3ccccc3c2)CN2CCCC[C@H]2CO1 253951801 KIUXJGCEGRJTFF-ROUUACIJSA-N 283.371 2.870 0 1 CFAF CCN(CC)C(=O)n1cnc(S[C@@H]2C[C@H]3CC[C@@H]2C3)n1 473092276 SEBJWLKCAPJPKX-QJPTWQEYSA-N 294.424 2.869 0 1 CFAF CC[C@H](C)n1cc(Cl)c(-c2nc3cnncc3[nH]2)n1 587080567 WMINYGIWQWEUMI-ZETCQYMHSA-N 276.731 2.841 0 1 CFAF Clc1ncc(-c2nc3c(Cl)ncnc3[nH]2)s1 587023310 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COc1ccc2ccc3c(c2c1)C[C@@H](CNC(C)=O)CO3 13781843 LIERNWCQAQMEAW-LBPRGKRZSA-N 285.343 2.536 0 1 CFAF CC[C@H](O)CCCC[C@@H]1OC(=O)Cc2cc(O)cc(O)c21 2356425471 FGSIJRAQWLXFRU-FZMZJTMJSA-N 294.347 2.570 0 1 CFAF C=CC(=O)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2 101922876 LHKGYKGLTAXTBC-JYRVWZFOSA-N 279.299 2.632 0 1 CFAF O=C1c2cc(O)ccc2[C@H]2C[C@H]1c1ccc(O)cc1C2=O 101312807 YIXGODOYVHIXIJ-GASCZTMLSA-N 280.279 2.748 0 1 CFAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(SC)cc1)N2 101281250 YDNOASAJYGOBQG-ATGSNQNLSA-N 291.416 2.806 0 1 CFAF COc1cccc(/C=C/C(=O)n2nnc3ccccc32)c1 113885184 GVLANIBPZZJSSU-MDZDMXLPSA-N 279.299 2.794 0 1 CFAF CC(=O)O[C@@H]1[C@@H]2CCC[C@@H]1[C@H](N1CCCCC1)CC2 101567683 KSJDJOYKEJTGAN-KLHDSHLOSA-N 265.397 2.983 0 1 CFAF CCC(=O)N(c1cccc(OC)c1)[C@@H]1CCC[C@H]1N(C)C 28234078 FWNNUMIWBJBCEQ-HZPDHXFCSA-N 290.407 2.921 0 1 CFAF COc1ccc(-c2noc(N3CCCCC3)n2)cc1OC 20930965 FXGAUVRKJPNEFV-UHFFFAOYSA-N 289.335 2.744 0 1 CFAF CCNc1nc2ccccc2n2c(C(F)(F)F)nnc12 26377424 PJIFJXDDWQAHHI-UHFFFAOYSA-N 281.241 2.728 0 1 CFAF CC[C@H](C)c1occ2c(=O)c(C(=O)O)c(O)cc-2c1C 45506434 HPWUXQWJZVSQOR-ZETCQYMHSA-N 276.288 2.970 0 1 CFAF NC[C@@]1(CC(=O)O)CC[C@@H](CCc2ccccc2)C1 45394423 CVTWSVMTOFUNJU-ZBFHGGJFSA-N 261.365 2.839 0 1 CFAF CC(=O)O[C@H]1CC(C)=C2CC=C(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 238768746 XNQSEZFWFNDBST-ORDIRQJYSA-N 290.359 2.782 0 1 CFAF O=c1ccn(-c2ccnc(-c3ccccc3)c2)cc1O 653845458 KXAJMJGOUYGYIO-UHFFFAOYSA-N 264.284 2.605 0 1 CFAF COc1ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2n1 587087247 CGGVSLROAKWXLN-QMMMGPOBSA-N 294.305 2.716 0 1 CFAF Cc1cnc2[nH]c(COc3ccc(F)cc3)nc2c1 587167980 BWHCEQUIMGCELP-UHFFFAOYSA-N 257.268 2.984 0 1 CFAF C[C@H](O)c1ncc(-c2nc3c(Cl)ccnc3[nH]2)s1 587020879 CAGSWXQVNIULPC-YFKPBYRVSA-N 280.740 2.788 0 1 CFAF N[C@H](c1nc2ccc(O)cc2[nH]1)c1ccc(F)cc1F 587151736 VIJZHMCXAXLAKO-ZDUSSCGKSA-N 275.258 2.595 0 1 CFAF C[C@H](F)[C@H](N)c1nc2cc(Cl)c(Cl)nc2[nH]1 587126071 VOEXAODBZAKMLE-DZSWIPIPSA-N 263.103 2.623 0 1 CFAF CCn1nc(-c2ccccn2)c2sccc2c1=O 1857752299 GQDNVOFENRCWJW-UHFFFAOYSA-N 257.318 2.540 0 1 CFAF Cc1noc(C(=O)Nc2cccc(O)c2)c1Cl 5006895 HCMGWLQOFTYEJP-UHFFFAOYSA-N 252.657 2.594 0 3 CFAF Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1 13553257 ZQTRXPRIWRFHRY-UHFFFAOYSA-N 263.304 2.864 0 1 CFAF O=c1[nH]c2ccc(Cl)cc2n2nc(-c3ccccc3)nc12 13677383 FUGNZHDFMCVCTR-UHFFFAOYSA-N 296.717 2.891 0 1 CFAF Oc1ccc(Cn2nnc3ccccc32)c2cccnc12 1857607116 ORGIQKWUTQHCFB-UHFFFAOYSA-N 276.299 2.733 0 1 CFAF CCC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2n1 23433 ORJIHHLJBCQRBS-UHFFFAOYSA-N 286.379 2.721 0 1 CFAF O=C(c1ccco1)N1CCC(n2nnc3ccccc32)CC1 1380493 PBBKKQBWHYSRBR-UHFFFAOYSA-N 296.330 2.502 0 3 CFAF Cc1cccc(C(=O)Nc2nnc(-c3cccnc3)o2)c1 4107457 QSBCIBKJPZZUFO-UHFFFAOYSA-N 280.287 2.692 0 3 CFAF Cc1cc(Nc2cccc(F)c2)n2nc(C)nc2n1 4923207 RLDKJECODUEETR-UHFFFAOYSA-N 257.272 2.624 0 3 CFAF CN1[C@@H]2CC[C@@H]1CC(OC(=O)CCc1ccccc1)C2 100194792 DKIGFMGFYCZXBZ-HUUCEWRRSA-N 273.376 2.788 0 1 CFAF in-vitro CCCCNc1nc(-c2cccc(OC)c2OC)no1 21630905 HXFNCCUDTKPBFN-UHFFFAOYSA-N 277.324 2.966 0 1 CFAF CCCC=CC[C@]1(O)C2=C3[C@H](CC[C@@H]3C[C@H]1C)NC(=N)N2 2356573683 WTICYUAMPJXZON-KOFHJDLBSA-N 289.423 2.664 0 1 CFAF CC(C)[C@@H]1CC[C@](C)(O)[C@H]2CCC(C(=O)O)=C[C@H]12 2356580258 RDVIHOREHAICKH-XFMPKHEZSA-N 252.354 2.841 0 1 CFAF C[C@H](C(=O)O)[C@H]1CC[C@@H](C)[C@@H]2CCC(C(=O)O)=C[C@H]12 2356626086 KRUUDBOQHFKKKU-RLWROLQLSA-N 266.337 2.790 0 1 CFAF CCCCCC=C[C@H](C)CCOS(=O)(=O)O 2356852167 QNUMXENJPAUAPZ-NSHDSACASA-N 250.360 2.969 0 1 CFAF COc1c(O)c2c(c(OC)c1O)-c1c(O)cccc1CC2 84729128 GIGHDDGEYQHXGI-UHFFFAOYSA-N 288.299 2.586 0 1 CFAF CN[C@@H]1CCN(C(=O)c2cc3cc(Cl)cc(C)c3[nH]2)C1 84671026 NCAHDEYGELPFIO-GFCCVEGCSA-N 291.782 2.564 0 1 CFAF NC(=O)c1ccc(NCCc2ccccc2)c2cccnc12 143699993 XYGRDLISHSGRJC-UHFFFAOYSA-N 291.354 2.988 0 1 CFAF Cc1ccc2nc(CC(=O)OCc3ccccc3)[nH]c2n1 587782228 JMRCVWRHZOZQQB-UHFFFAOYSA-N 281.315 2.552 0 1 CFAF COc1ccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2n1 587177737 WZHFPNHECCCBIJ-UHFFFAOYSA-N 283.266 2.649 0 1 CFAF OCCc1ccc2nc(COc3ccc(F)cc3)[nH]c2c1 587169033 QWYUCMWDDMOVPY-UHFFFAOYSA-N 286.306 2.816 0 1 CFAF Cc1ccc(/C=C/c2ccc3c(O)nc(O)nc3n2)cc1 587560488 CJXQXLREIABMQJ-VOTSOKGWSA-N 279.299 2.915 0 1 CFAF CC[C@H]1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O 587406193 QRTNRNBEWPJOIS-QFYYESIMSA-N 273.332 2.670 0 1 CFAF CS(=O)(=O)/C=C/c1nc2cccc(C(F)(F)F)c2[nH]1 586923470 MHQFXTRWPPPUKJ-AATRIKPKSA-N 290.266 2.597 0 1 CFAF CCCN1[C@H](C)Cc2ccccc2[C@]12CC(=O)N[C@H](C)C2 963231437 RAJHFEAUTZITEW-LBTNJELSSA-N 286.419 2.837 0 1 CFAF Oc1cc(O)cc(/C=C/c2ccc3c(c2)OCO3)c1 1772651201 XQYDQQIZVLUXDS-OWOJBTEDSA-N 256.257 2.997 0 1 CFAF O=C(/C=C/C=C\c1ccc(O)cc1)N1CCCCC1 13409169 QDAARMDLSCDBFU-MFDSWNTHSA-N 257.333 2.974 0 1 CFAF endogenous,in-man C[C@H]1CCCC=C[C@@H]2CC(=O)C[C@H]2C(=O)CCC(=O)O1 253699245 SXLRTDFNLPCKBK-OUCADQQQSA-N 278.348 2.603 0 1 CFAF Cc1cnc(-c2ccncc2)nc1NC(=O)NC(C)(C)C 27978989 PKRLBCNBVABOEK-UHFFFAOYSA-N 285.351 2.767 0 1 CFAF Cc1ccc(-n2c(Cl)c(Cl)nc(O)c2=O)cc1 383893 QHEAMMAWYIVSEH-UHFFFAOYSA-N 271.103 2.553 0 3 CFAF CCCCC[C@@H](O)[C@H](O)C=Cc1cccc(O)c1C=O 2356449110 AZOKWZGGQMSBFD-HZPDHXFCSA-N 278.348 2.520 0 1 CFAF CCN(C(=O)[C@]1(c2ccccc2)C[C@H]1CN)c1ccccc1 29128249 MHSMLXPGKSUMMH-LPHOPBHVSA-N 294.398 2.956 0 1 CFAF COC(=O)C1=C(c2ccc(Cl)cc2)[C@@H]2CC[C@@H]1O2 101095055 QAWMAJZYTBWZOZ-QWRGUYRKSA-N 264.708 2.828 0 1 CFAF CCc1sc2ncc(Cl)cc2c1NC(=N)N 28713367 DGHMWCIYZYFIGS-UHFFFAOYSA-N 254.746 2.817 0 1 CFAF CCc1ccc(OC)c(NC(=O)c2cnn3cccnc23)c1 113653979 YIVVZLIBKDGIHQ-UHFFFAOYSA-N 296.330 2.553 0 1 CFAF CC[C@H](C)/N=c1/c(-c2cc(C)c(C)cc2C)c(O)c1=O 103536604 JBIUECJYKGBCFP-ZNZSVTJWSA-N 271.360 2.919 0 1 CFAF COC[C@]1(O)[C@H](CO)[C@H]2CC[C@@]1(C)[C@@]2(C)C1CCCCC1 2356595585 MSEDTCPMPHXYPR-ZBRFXRBCSA-N 296.451 2.989 0 1 CFAF C[C@@H]1CNC(=O)c2[nH]c3ccc(Br)cc3c21 28901791 LDWIDZHFSJLHDY-ZCFIWIBFSA-N 279.137 2.777 0 1 CFAF CCC[C@H](O)c1ccc(OC)c(O[C@@H]2CCOC2)c1 66073686 YUQQHTDRBVFZGY-OLZOCXBDSA-N 266.337 2.696 0 1 CFAF CCCSc1nnc(-c2cc(CC)nn2C)o1 39079306 YKOMHXMABFMUIM-UHFFFAOYSA-N 252.343 2.535 0 1 CFAF O=c1c2cccnc2sn1Cc1ccc(F)cc1 72170981 QJXJPTQIPQAKCU-UHFFFAOYSA-N 260.293 2.645 0 1 CFAF Fc1cccc(OCc2ccccc2N2CCNCC2)c1 45298848 IGKKFJKUWPDJDR-UHFFFAOYSA-N 286.350 2.814 0 1 CFAF in-vivo COc1cc(C#N)cc(-c2c[nH]c3ncnc(N(C)C)c23)c1 224871509 DMBPKDDBYKIOKU-UHFFFAOYSA-N 293.330 2.571 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccoc1)[C@@H](C2)C3=O 587455707 PNZSRJRQVZWGNX-NHYWBVRUSA-N 256.257 2.777 0 1 CFAF Cc1cc(Br)c2[nH]c([C@@H](N)[C@@H](C)F)nc2c1 587126223 VTMAGHAXPSFZLJ-MUWHJKNJSA-N 286.148 2.992 0 1 CFAF COc1ccc2nc(-c3csc4c3CCOC4)[nH]c2n1 587031383 FTWCKVFBWBBKME-UHFFFAOYSA-N 287.344 2.768 0 1 CFAF COC(=O)[C@@H](N=O)c1[nH]c2cc(F)ccc2c1C 587635066 GNSQSQSAAKZYBN-NSHDSACASA-N 250.229 2.596 0 1 CFAF COc1ccc(C=O)cc1-c1nc2cccc(C(=O)O)c2[nH]1 587787318 NRARESYABCCRJY-UHFFFAOYSA-N 296.282 2.749 0 1 CFAF Cc1c(-c2nc3ccncc3[nH]2)oc2c1[C@H](O)CCC2 586904639 XDEURQFYVQEENK-LLVKDONJSA-N 269.304 2.896 0 1 CFAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2c[nH]c(=N)[nH]c-2n1 587951950 KLIKVXFCIFVFRQ-NHCYSSNCSA-N 289.383 2.763 0 1 CFAF C[C@@H]1C[N@@]1[P@](=O)(Oc1ccccc1)[N@@]1C[C@H]1C 1857623576 JCBGYJPACKELTI-WRHHYAMVSA-N 252.254 2.582 0 1 CFAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 169325055 DOFRSNSWULWZJS-KKXFHGEXSA-N 289.419 2.645 0 1 CFAF Nc1nc(N)c2cc(-c3cc4ccccc4[nH]3)ccc2n1 1661029 KXIFJNYJOVAMTJ-UHFFFAOYSA-N 275.315 2.943 0 1 CFAF CC=C(C)COC(=O)C=Cc1ccc(O)c(OC)c1 2356385581 RBICMLLNKGRONQ-UHFFFAOYSA-N 262.305 2.923 0 1 CFAF Cc1nccn1C[C@H]1CC[C@@H]2[C@@H](C1=O)c1ccccc1N2C 100382625 JIMWRSFMRULTNX-XYPHTWIQSA-N 295.386 2.773 0 1 CFAF CC(C)NC(=O)N1OC[C@@H]2CSc3ccc(F)cc3[C@H]21 58583928 ANXPKWUHAVEULP-RNCFNFMXSA-N 296.367 2.954 0 1 CFAF COc1ccc2c(=O)c(C(C)(C)C)c(CO)oc2c1 2356855863 RUAVZZBPENKCFG-UHFFFAOYSA-N 262.305 2.591 0 1 CFAF C[C@H](Cc1ccc(Cc2cccnc2)cc1)C(=O)O 36242136 IHYLMZVUVSRWIM-GFCCVEGCSA-N 255.317 2.936 0 1 CFAF CC(C)CCN1CCC[C@@]12Cc1ccccc1CNC2=O 71994019 MWIDKCNBBMNDDF-SFHVURJKSA-N 286.419 2.740 0 1 CFAF CCCN1CNc2c(c(=O)[nH]c(=S)n2CC(C)(C)C)C1 49053877 MBOKQQHVQDSRJJ-UHFFFAOYSA-N 296.440 2.547 0 1 CFAF CN1CCC[C@@H]1COC(=O)c1coc(-c2cccs2)n1 82086416 BNBIUECLVIWJBS-SNVBAGLBSA-N 292.360 2.654 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2cc3ccccc3[nH]2)C[C@@H]2CC[C@H]1O2 84615964 KOKBPPDCKPRXAM-UAXWRAGISA-N 285.343 2.992 0 1 CFAF O=c1cc(CO)n(-c2cccc(-c3ccccc3)c2)cc1O 299872070 ZVNZXNGHEMXUFJ-UHFFFAOYSA-N 293.322 2.702 0 1 CFAF COC(=O)C[C@H](C)Cc1nc2cnc3ccccc3c2[nH]1 587784534 IHARIWSGNPDPNF-SNVBAGLBSA-N 283.331 2.853 0 1 CFAF O=C(O)/C=C/c1ccccc1-c1nc2cc(F)cnc2[nH]1 586878137 AFPJBFKLLFDGKS-AATRIKPKSA-N 283.262 2.862 0 1 CFAF O=C([C@@H]1CCCOC1)n1nc2cc1Oc1ccc(F)cc1-2 587874566 FJNBDJSILWGAAO-SECBINFHSA-N 288.278 2.862 0 1 CFAF C[C@@H](F)[C@H](N)c1nc2cccc(Br)c2[nH]1 587126289 WMIQEAHXUPBEJW-XRGYYRRGSA-N 272.121 2.683 0 1 CFAF O=C(O)[C@@H]1CCc2nc3cccc4c3c(c2C1)CC4 587214510 BAUBGBDJHJPPHX-SNVBAGLBSA-N 253.301 2.523 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(=O)CC(C)C)O2 587402418 COHLDGUKBJVTMN-INIZCTEOSA-N 275.348 2.916 0 1 CFAF Cc1cc2nc(Cc3cccnc3N)[nH]c2cc1F 587254702 XCSDFHLTAHMNBJ-UHFFFAOYSA-N 256.284 2.578 0 1 CFAF CC1(C)OC(=O)N[C@@H]1[C@H]1CC[C@@H](CCC(=O)O)CC1 958574829 NROPPCONZNHCOW-JFGNBEQYSA-N 269.341 2.545 0 1 CFAF COc1ccc(CNC(=N)C(F)(Cl)Cl)cc1 169323833 XRZBGNYIOLKIQL-UHFFFAOYSA-N 265.115 2.863 0 1 CFAF CCn1cnc(C)c1CN1CCN(c2ccccc2)C1=O 13765800 PCLHHUVWDYNDKB-UHFFFAOYSA-N 284.363 2.654 0 1 CFAF O=Cc1cc(/C=C/c2cc(O)cc(O)c2C=O)ccc1O 1857593750 KSVVDMJECFEDLH-HNQUOIGGSA-N 284.267 2.599 0 1 CFAF O=C1OC(=C(Br)Br)[C@@H]2CCC[C@@H]12 1857760765 HWEHMLZFXACQFH-RFZPGFLSSA-N 295.958 2.918 0 1 CFAF COCc1cc(SCC(=O)O)nc(-c2cccs2)n1 100982391 IKYAAMZQQKWOHK-UHFFFAOYSA-N 296.373 2.528 0 1 CFAF COC1(OC)CC[C@]2(C)O[C@@H](c3ccccc3)[C@@H]1O2 102975789 IWPNHSXUSSCPPK-MELADBBJSA-N 264.321 2.642 0 1 CFAF CCCC[C@@H](N)[P@](=O)(O)[C@@H](O)[C@@H](C)c1ccccc1 58534257 URWFEJMYAFQRIB-FPMFFAJLSA-N 285.324 2.854 0 1 CFAF O=S1(=O)c2ccc(Cl)cc2Oc2cccnc21 26994950 WFEARJQUOMETHH-UHFFFAOYSA-N 267.693 2.674 0 1 CFAF O=C1C[C@@H]2CCC[C@](S(=O)(=O)c3ccccc3)(C1)C2 29463478 CKCDTTSVFVFNKN-SWLSCSKDSA-N 278.373 2.752 0 1 CFAF Cc1ccccc1Oc1nn2c(N)nnc2c2ccccc12 64447075 PKUBGFWNMWYKHE-UHFFFAOYSA-N 291.314 2.960 0 1 CFAF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@@H]1CC(=O)[C@@H]1CC(=O)CC[C@H]12 2356518113 GFLLGBXXPFKQAI-POOJBGORSA-N 292.375 2.842 0 1 CFAF O=C(Nc1cccc(Cl)c1)[C@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)O 195376474 COXGMHOTCMIWCZ-MNUQUWEESA-N 291.734 2.801 0 1 CFAF O=C(O)c1cn(Cc2ccccc2)c2cc(F)ccc2c1=O 299834801 CKHAVFCUPGGAKT-UHFFFAOYSA-N 297.285 2.887 0 1 CFAF CNc1nc(NCc2ccncc2)cc(-c2ccccn2)n1 299837318 PZFFKFAUQFEDHR-UHFFFAOYSA-N 292.346 2.587 0 1 CFAF COC(=O)Cc1ccccc1-c1nc2cncc(C)c2[nH]1 587783575 VDOKFFKFLKSADP-UHFFFAOYSA-N 281.315 2.649 0 1 CFAF COc1cccc(C)c1-c1nc2nc(Cl)c[nH]c-2n1 587786081 HBURAKWKFWBNBE-UHFFFAOYSA-N 274.711 2.942 0 1 CFAF COc1ccc(/C=C/c2ccc3c(O)nc(O)nc3n2)cc1 587561292 NGNDMQOVROSWCT-GORDUTHDSA-N 295.298 2.615 0 1 CFAF COC(=O)Cc1ccccc1-c1nc2cc(C)cnc2[nH]1 587783207 HXYGJDWTHAQPQE-UHFFFAOYSA-N 281.315 2.649 0 1 CFAF CCc1ccc2c(c1)Cc1cc3c(O)nc(O)nc3nc1-2 587561207 FLROUBUREGHHBA-UHFFFAOYSA-N 279.299 2.570 0 1 CFAF C[C@]1([C@H]2CCCCC2=O)NCCc2ccc(O)cc21 963328207 DZIWRKHWVMXGAH-XJKSGUPXSA-N 259.349 2.512 0 1 CFAF c1ccc(-c2nnc(Cc3nc4ccccc4[nH]3)o2)nc1 1772626096 AFPNZCBPMMKULG-UHFFFAOYSA-N 277.287 2.599 0 1 CFAF CN(C)[C@H]1CC[C@H](Nc2ncnc3[nH]c4c(c23)CCC4)CC1 1772644650 YHHNGWXZLXNBPY-HAQNSBGRSA-N 299.422 2.731 0 1 CFAF CO[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1OC 5963949 DDIJCQQECYDBJB-GJZGRUSLSA-N 290.315 2.667 0 1 CFAF O=c1ccccn1CC1CCN(Cc2ccccc2)CC1 13686306 JLXAMBVJCCMIFT-UHFFFAOYSA-N 282.387 2.761 0 1 CFAF COc1ccc(CN2CCc3cc4c(cc3C2)OCO4)cc1 14829026 VLMJDZQHHMSRSZ-UHFFFAOYSA-N 297.354 2.982 0 1 CFAF CCCCn1nnc2c(Br)cccc21 1857617931 QLWCTGRZWUAUJI-UHFFFAOYSA-N 254.131 2.994 0 1 CFAF O=Cc1cc(O)cc2nc(-c3ccc(O)cc3)oc12 13583663 RVKNUINNULNHGO-UHFFFAOYSA-N 255.229 2.719 0 1 CFAF COC[C@]1(O)[C@@]2(CCC[C@H]2O)[C@H]2C[C@H]3CCC[C@@]2(C)[C@]31C 2356357797 UUORLUZANDRGRZ-QJSAOCQHSA-N 294.435 2.741 0 1 CFAF CC[C@H](C)CC(=O)Nc1cnn(Cc2c(C)noc2C)c1 116673995 WRUSTDDIUIVJFE-JTQLQIEISA-N 290.367 2.911 0 1 CFAF COc1ccc(COC(=O)c2cccc(S)n2)cc1 28969192 YSTUWPYBTHJZLL-UHFFFAOYSA-N 275.329 2.736 0 1 CFAF Cn1c(-c2ccccc2)cc(-c2ccncn2)cc1=O 66077438 LVCNOQZTTKRVAC-UHFFFAOYSA-N 263.300 2.509 0 1 CFAF Cc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)O)cc1 61945300 XYKQBJTXPYODIE-INIZCTEOSA-N 297.354 2.811 0 3 CFAF O=C(Nc1ccccc1)C1=COc2cc(O)ccc2O1 27308528 LOYFNGVTTRWYBD-UHFFFAOYSA-N 269.256 2.644 0 1 CFAF CC(=O)O[C@@H]1CC(=O)CCC[C@@](C)(O)C=C[C@@H]1C(C)C 2356723765 SXYIXDBXEKNFKO-BZUAXINKSA-N 282.380 2.641 0 1 CFAF O=C(Cc1ccccc1)NC(=O)Cc1c[nH]c2ccccc12 2356873235 ZDULEHUJQWOMNK-UHFFFAOYSA-N 292.338 2.596 0 1 CFAF O=C1NC(=O)[C@@H](c2ccccc2)C[C@H]1c1ccccc1 73198572 GVWPXFWNBAQNGU-GASCZTMLSA-N 265.312 2.601 0 1 CFAF CCCc1nnc2n1N=C1c3cccc(C)c3C[C@@H]1S2 72118022 WGKPXHVIHXSKAK-LBPRGKRZSA-N 284.388 2.822 0 1 CFAF CCC(CC)Nc1nc(N2CCCN(C)CC2)ncc1C 82201757 TUCRTQOEBYYLAJ-UHFFFAOYSA-N 291.443 2.527 0 1 CFAF CC(=O)O[C@@H]1[C@H]2CC[C@@H]3C[C@@H]2C2(SCCS2)[C@@H]31 195478281 DREXMYSQNWWJKF-WTPMCQDGSA-N 270.419 2.770 0 1 CFAF Fc1ccc([C@H]2Cc3nccn3C2)c(-c2ccn[nH]2)c1 40875175 BXJSKCZBNVAQEJ-JTQLQIEISA-N 268.295 2.752 0 1 CFAF O=C(O)c1cccc2nc(-c3cc(F)cc(F)c3O)[nH]c12 587134994 ZHWAIHOFLFWOLM-UHFFFAOYSA-N 290.225 2.912 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)-c1cccc2c1[C@H]3CCC2 587560941 CQAWISGSHJSGRX-VIFPVBQESA-N 291.310 2.885 0 1 CFAF CCOc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 587558755 CSWBYLJWOACZJX-UHFFFAOYSA-N 283.287 2.502 0 1 CFAF N[C@]1(c2nc3ccc(O)cc3[nH]2)C[C@H]1c1ccccc1F 587154742 GHWBUBAJXSOMAX-MEDUHNTESA-N 283.306 2.749 0 1 CFAF Oc1nncc2nc(-c3ncsc3-c3ccccc3)[nH]c12 587028300 PSUWIPZFDXFUNV-UHFFFAOYSA-N 295.327 2.849 0 1 CFAF CC/C=C/C[C@H](C[C@H]1CC=CC(=O)O1)OC(C)=O 13307039 YKAIEQJKNLRONE-IJWDBEHRSA-N 252.310 2.536 0 1 CFAF C[S@@](=O)C1=NCc2c([nH]c3ccccc23)S1 13414507 YUXKTUVIOWXKPA-INIZCTEOSA-N 250.348 2.508 0 1 CFAF endogenous,in-man O=C(NC1CCC1)[C@H]1Cc2c(sc3ccccc23)CN1 13833782 YGIQPDVTVXSYFU-CYBMUJFWSA-N 286.400 2.584 0 1 CFAF Fc1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1 1857554735 OZYGJEGVGFEUMA-LBPRGKRZSA-N 292.310 2.524 0 1 CFAF Cc1cc(C)c2c(N)c([C@@H](O)c3ccncc3)sc2n1 1857593244 NBKYNQXJQOYCAD-ZDUSSCGKSA-N 285.372 2.972 0 1 CFAF CCCCc1ccc(Nc2nc3[nH]cnc3c(=O)[nH]2)cc1 5114684 OPAPDEANGWQVRT-UHFFFAOYSA-N 283.335 2.732 0 1 CFAF CN1CCC=C(c2nc(-c3cn(C)c4ccccc34)no2)C1 12019 GTUVHUQJIQUOGS-UHFFFAOYSA-N 294.358 2.947 0 1 CFAF Cc1cc(F)ccc1S(=O)(=O)NC[C@@H]1C[C@H]2CC[C@@H]1C2 1511060 RFRGJYWVOFZOFJ-XQQFMLRXSA-N 297.395 2.849 0 1 CFAF COC(=O)C/C=C1\c2ccccc2OC[C@@H](OC)[C@@H]1C 102816873 APVLMEMJLXYXSR-RNJQCAHHSA-N 276.332 2.677 0 1 CFAF O[C@H](CN1CCCCCC1)C1=COc2ccccc2O1 28087667 MCTRYZVLYBCYQX-CYBMUJFWSA-N 275.348 2.536 0 1 CFAF C[C@@H]1CCCC[C@@H]1/N=c1/c(-c2ccccc2)c(O)c1=O 103535364 JXVHMSGJSXLZAA-ZCIJZHCQSA-N 269.344 2.774 0 1 CFAF Nc1nc(O)c(N=O)c(NCCCCc2ccccc2)n1 29551397 YDCSNIBCQJCIGR-UHFFFAOYSA-N 287.323 2.597 0 1 CFAF Cc1cnc(OC[C@H]2CCCN2)nc1-c1cccs1 28522751 JHJHNDHZMNGHBC-LLVKDONJSA-N 275.377 2.644 0 1 CFAF CC(=O)O[C@@H]1C[C@H](C)[C@H]2C[C@H]3CC[C@@](C)(OC3)[C@H]12 2356563138 RIOVTHASCWPDPA-DXSVJQKISA-N 252.354 2.779 0 1 CFAF COc1ccc([C@@]2(C)NCCc3cc(O)ccc32)cc1 2356708758 BIFZKSNCEQHVMY-QGZVFWFLSA-N 269.344 2.810 0 1 CFAF CN1CCC[C@H]1CCNCc1coc(-c2cccs2)n1 72182708 VCOJCSQUISGZSO-ZDUSSCGKSA-N 291.420 2.977 0 1 CFAF Nc1ncc(-c2cn[nH]c2)cc1-c1nc2ccc(F)cc2[nH]1 45324342 VDVMLUCGOFQXCW-UHFFFAOYSA-N 294.293 2.736 0 1 CFAF CCCCCCN(Cc1nn[nH]n1)c1ccccc1 473115852 UVFZRFLSTCJNGE-UHFFFAOYSA-N 259.357 2.787 0 1 CFAF CC[C@]1([C@H]2CCOC2)CC(=O)c2cc(C)cc(N)c2O1 587411343 IMAQTZUDIAAJIX-MEDUHNTESA-N 275.348 2.728 0 1 CFAF O=C(O)C(=O)Nc1ccc(/C=C\c2ccccc2)cc1 210143389 OTGXVFHPSDRWPP-SREVYHEPSA-N 267.284 2.880 0 1 CFAF CC(C)C[C@H](O)c1nc2cc(Br)cnc2[nH]1 586900245 BPDHSIZBVASRFJ-VIFPVBQESA-N 284.157 2.800 0 1 CFAF C[C@@H](Sc1ncccn1)c1nc2cnc(Cl)[nH]c-2n1 586963009 WGGNYEYWTZQELB-ZCFIWIBFSA-N 292.755 2.601 0 1 CFAF C[C@H](CC(C)(C)C)c1cnc2nc(O)nc(O)c2c1 587561749 KMAPQVDQCRMXHX-MRVPVSSYSA-N 261.325 2.976 0 1 CFAF Oc1cccc(CCCCc2nc3cnncc3[nH]2)c1 586896614 VJYSPHGTZFPEGA-UHFFFAOYSA-N 268.320 2.624 0 1 CFAF Cn1c2c(ccc1=O)-c1nc3cccc4c3c(c1CC2)CC4 587212288 MZCBAGZGQVFANV-UHFFFAOYSA-N 288.350 2.798 0 1 CFAF Oc1ccc2scc(-c3nc4cncnc4[nH]3)c2c1 587031715 LLBUWIQGNJWURK-UHFFFAOYSA-N 268.301 2.940 0 1 CFAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@H]2O 12493629 PROQIPRRNZUXQM-ZKZVPCBQSA-N 288.387 2.580 0 1 CFAF endogenous,in-man COC(=O)CCCCC(=O)c1ncc(-c2ccccn2)o1 14980134 OCKNDQDBYBWHSB-UHFFFAOYSA-N 288.303 2.653 0 1 CFAF CC1(C)CCC[C@]2(C)CC3=CC(=O)O[C@@]3(O)C[C@@H]12 15257606 RMUYAJKSOYDPDI-GLQYFDAESA-N 250.338 2.785 0 1 CFAF C/C=C/Cc1c(OCC)c2cccc(O)c2n(C)c1=O 15261901 UWIULCYKVGIOPW-GQCTYLIASA-N 273.332 2.761 0 1 CFAF CCCCNC(=O)c1nn(C)c2c1CCc1sccc1-2 15736016 SAWRAFOLVNPHQA-UHFFFAOYSA-N 289.404 2.777 0 1 CFAF C[C@H]1CCC[C@@H](n2cnc(C[C@@H](CCCN)C(=O)O)c2)C1 169698755 RUGXMJXNVBQNEE-GZBFAFLISA-N 293.411 2.617 0 1 CFAF O=C(c1ccc(-n2cnc3ccccc32)s1)N1CCC1 169701593 PXSQTRFQVCHVGJ-UHFFFAOYSA-N 283.356 2.933 0 1 CFAF Oc1ccc2c(c1)[C@H]1c3ccccc3CN[C@@H]1CC2 26979381 KJAGKRRPTJZCHT-IAGOWNOFSA-N 251.329 2.942 0 1 CFAF Cc1c(C(=O)CC(C)C)oc2c1CC[C@](C)(O)[C@H]2O 2356413627 GYHLSYICWPZCBR-GJZGRUSLSA-N 266.337 2.547 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)C[C@H]2CC[C@@H]1N2C 6522748 MMKZDDDDODERSJ-LVQVYYBASA-N 273.376 2.734 0 1 CFAF CCCC[C@H](O)C[C@@H]1CCC[C@@H](C[C@H](O)CC)N1 2356395562 RXJHXBORQMLXBV-XQLPTFJDSA-N 257.418 2.599 0 1 CFAF O=Cc1onc2c1CCO[C@H]2c1ccc(Cl)cc1 103188436 SJJOUCYSIFBEMK-ZDUSSCGKSA-N 263.680 2.803 0 1 CFAF CCCC1=CCCC=C1OC[C@@H](O)CNC(C)C 29394801 YOJZHLYRNCMSJI-AWEZNQCLSA-N 253.386 2.766 0 1 CFAF C[C@@H]1[C@@H](OC(=O)[C@H](O)c2ccccc2)CCC(C)(C)N1C 3872541 SXLHPJQSZRLJAE-VHDGCEQUSA-N 291.391 2.525 0 3 CFAF biogenic,in-man O=C1C[C@@]2(CO1)CSC(=S)N2c1ccc(Cl)cc1 71333079 CWCQOBAOHNADPJ-GFCCVEGCSA-N 299.804 2.864 0 1 CFAF O=C1O[C@@]2(CN3CCC2CC3)CN1c1ccc2c(c1)CCC2 36079922 STTSSNSUPGVIAU-SFHVURJKSA-N 298.386 2.596 0 1 CFAF NC(=S)N1N=C(c2ccccc2)C[C@@H]1c1ccco1 38247516 LNWZBSQNGJCMLV-GFCCVEGCSA-N 271.345 2.674 0 1 CFAF Nc1cccc(Nc2ncnc3c2ncn3CC2CC2)c1 40393111 UNEMVJYKEXAEIS-UHFFFAOYSA-N 280.335 2.562 0 1 CFAF CCOC(=O)C1=CC[C@H]2C(=O)c3ccc(Cl)cc3O[C@H]12 84652481 YGOPXCFYUHPKRC-HZMBPMFUSA-N 292.718 2.793 0 1 CFAF Oc1cccc(-c2nn(Cc3nnco3)c3ccccc23)c1 95755517 YPMXTCJHQZVBQX-UHFFFAOYSA-N 292.298 2.840 0 1 CFAF O=C1C=CCCN1C(=O)/C=C/c1ccccc1Cl 95798313 KLKCZIIXXYOYRN-CMDGGOBGSA-N 261.708 2.668 0 1 CFAF c1cc(-c2n[nH]cc2-c2ccnc(N3CCCC3)n2)ccn1 299849444 SKGDKBQRNIRPTN-UHFFFAOYSA-N 292.346 2.529 0 1 CFAF COc1ccc(-c2ccc(-n3nc(C)cc3C)nn2)cc1 653786710 STWCADKYBUYKSR-UHFFFAOYSA-N 280.331 2.955 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn3nccc13)O2 587394603 IQCCIOXNRGOQQQ-INIZCTEOSA-N 293.326 2.931 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1c(C)n[nH]c1C)[C@@H](C2)C3=O 587442873 ZKVAQYNMVRZOJW-SJCJKPOMSA-N 298.342 2.698 0 1 CFAF Clc1ccnc2[nH]c(Cc3csc4nccn34)nc12 587040042 JNBASTMBWGBMNZ-UHFFFAOYSA-N 289.751 2.911 0 1 CFAF N[C@@H](Cc1nc2cccnc2[nH]1)c1ccccc1Cl 587058243 DVRKYLQHZJNAER-NSHDSACASA-N 272.739 2.854 0 1 CFAF CCC(=O)[C@H](C(=O)OC)c1nc2cccc3c2c(c1C)CC3 587213288 GXBXMWCZQJOVOO-INIZCTEOSA-N 297.354 2.878 0 1 CFAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc[nH]1)CC2=O 587480089 BZWPTODPSGDWNO-MRXNPFEDSA-N 286.331 2.948 0 1 CFAF COc1ccc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c2n1 587243451 DOFLBJLSCRXTQW-HJWRWDBZSA-N 294.314 2.618 0 1 CFAF CCCN(CCC)[C@H]1CCn2ncc(Cl)c2C1 13672669 SHBKBFYVWDZZMP-NSHDSACASA-N 255.793 2.973 0 1 CFAF O=C1NC(=O)C(c2ccc(Cl)cc2)=C1Nc1ccccc1 14945979 QQNWTHYCTZYQSU-UHFFFAOYSA-N 298.729 2.820 0 1 CFAF CC(c1sc(S)nc1O)c1sc(S)nc1O 169693175 XUBOJDTWCQNPOM-UHFFFAOYSA-N 292.432 2.740 0 1 CFAF Oc1ccc(O)c(-c2nc3cc(Cl)cnc3[nH]2)c1 1857586646 QIZJRQLCOYKHDY-UHFFFAOYSA-N 261.668 2.690 0 1 CFAF O[C@@H](Cn1ccnc1)CC12CC3CC(CC(C3)C1)C2 1857599740 SBZBWOFKXKAGSH-IBHBGHMQSA-N 260.381 2.851 0 1 CFAF O[C@@]1(c2ccc(-c3cccnc3)cc2)CN2CCC1CC2 3800492 ZGMLHWFYPPOXHM-GOSISDBHSA-N 280.371 2.662 0 1 CFAF Nc1cccc([C@H]2CN=C3c4ccccc4NC(=O)N3C2)c1 216179872 FAWPBIKASNVITL-LBPRGKRZSA-N 292.342 2.660 0 1 CFAF CN(C(=O)c1cccnc1)[C@H]1CCCC[C@H]1N1CCCC1 1657959 SGJGCGSZFRHPOB-JKSUJKDBSA-N 287.407 2.561 0 1 CFAF O=C(NN1CC=CCC1)c1ccc(Cl)cc1Cl 27854159 UXTNGCYNNBWYCT-UHFFFAOYSA-N 271.147 2.900 0 1 CFAF CCn1c(/C=C(/C)C(=O)O)ccc1Cc1cccnc1 27995333 APFBELCKFIXFLF-XFXZXTDPSA-N 270.332 2.982 0 1 CFAF Cc1cc(O)c2c(c1)C[C@@H]1C=C(O)C=C(O)[C@H]1C2=O 2356455550 YHUOZCXVROYNPG-OTYXRUKQSA-N 258.273 2.569 0 1 CFAF C[C@]1(CO)CCC[C@]2(C)c3ccccc3[C@@H](CO)[C@@H]12 2356698993 YRTXVWCUOFUWAY-XLNGHYISSA-N 260.377 2.833 0 1 CFAF Cc1ccc(N2CCC([C@H](O)Cc3ccccc3)CC2)nn1 32541462 SFAMDNODPYQGBB-QGZVFWFLSA-N 297.402 2.605 0 1 CFAF CC1=CC=CC2=NC[C@@H](C(=O)c3ccccc3)CN12 43015728 HCCCXYXLHKNDRB-CQSZACIVSA-N 252.317 2.673 0 1 CFAF Fc1ccn(Cc2cccc3c2CC[C@H]3c2ncc[nH]2)n1 40900157 SFIVXTQBSOKATP-CQSZACIVSA-N 282.322 2.872 0 1 CFAF O=C(Oc1cncc(Cl)c1)c1ccc2c(c1)OCO2 40875770 VLKCKSUXXZIUHY-UHFFFAOYSA-N 277.663 2.683 0 1 CFAF C[C@H](O)C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1C 238735881 MMIDMSZRVRHQIJ-CWRNSKLLSA-N 275.392 2.883 0 1 CFAF Cc1ccnc2[nH]c(Cc3csc4nccn34)nc12 587041199 XEKXJSUQDZEWHL-UHFFFAOYSA-N 269.333 2.566 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cc[nH]c1)[C@@H](C2)C3=O 587438992 SPYRWZXZYAJROX-NHYWBVRUSA-N 255.273 2.512 0 1 CFAF Cc1c(C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 587649948 NNVPKMWFUSZQED-UHFFFAOYSA-N 277.267 2.899 0 1 CFAF C[C@H](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)N(C)C 587190628 IYLTUCBJYAOQJE-MRVPVSSYSA-N 287.285 2.954 0 1 CFAF CN(C)C(=O)c1ccc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2c1 587093793 UOTBIIWPYHBKDW-IUCAKERBSA-N 297.280 2.931 0 1 CFAF COC(=O)C[C@@H]1Cc2nc3cccc4c3c(c21)CC4 587215040 ZJULSPNJEBDSCI-JTQLQIEISA-N 253.301 2.536 0 1 CFAF O=C(O)[C@H]1CCCc2nc3cccc4c3c(c21)CC4 587215593 QUTGFDCXXTUFMA-NSHDSACASA-N 253.301 2.838 0 1 CFAF CCOC(=O)C(=O)c1c(C(F)F)[nH]c2cccc(F)c12 587634407 XPQNINAMRWFLIX-UHFFFAOYSA-N 285.221 2.990 0 1 CFAF COc1ccc2nc(-c3cnc(Cl)s3)[nH]c2n1 587023887 WHHJXWMPORKZPQ-UHFFFAOYSA-N 266.713 2.743 0 1 CFAF O=C(O)Cc1ccc2c(c1)OCc1cc(F)ccc1C2=O 169340376 LWQOEVAMZQKLHW-UHFFFAOYSA-N 286.258 2.576 0 1 CFAF Cc1nonc1[C@@H]1NCCc2c(Cl)cc(Cl)cc21 963101828 FILANOMMQOVDLX-GFCCVEGCSA-N 284.146 2.920 0 1 CFAF CN1C(=O)/C(=C/C(=O)Oc2ccccc2)c2ccccc21 1772596298 SLPURDXDYUBTSZ-SDNWHVSQSA-N 279.295 2.652 0 1 CFAF c1ccc2cc(-c3cnnc(N4CCOCC4)n3)ccc2c1 12432410 HNKWPHJGAVEKBA-UHFFFAOYSA-N 292.342 2.528 0 1 CFAF COc1ccc([C@H]2CC(=O)Oc3ccc(O)cc32)cc1 13814170 IKKHOQDXLZEWNW-CYBMUJFWSA-N 270.284 2.842 0 1 CFAF Oc1ncnc2ccc(-c3cnn4ccccc34)cc12 1857650987 HLSCIXSRNUJXBR-UHFFFAOYSA-N 262.272 2.650 0 1 CFAF c1cnc2[nH]c(-c3ccc(C4OCCO4)cc3)cc2n1 13492986 BTVBGFIJVYXNFJ-UHFFFAOYSA-N 267.288 2.670 0 1 CFAF COc1cccc(N(C(C)=O)C2=NCCCS2)c1 1327883 AOAUVMBBVWKSKR-UHFFFAOYSA-N 264.350 2.541 0 3 CFAF O=C(C1CC1)N1CC[C@@H](c2nc3ccccc3o2)C1 2356401883 RRWLWEGYQWNBBU-LLVKDONJSA-N 256.305 2.554 0 1 CFAF C[C@H](C(=O)N1CCCCC1)n1sc2ccccc2c1=O 4101304 FAGZBTYYZITXKX-LLVKDONJSA-N 290.388 2.637 0 3 CFAF Cc1[nH]n2c(=O)c3c(nc2c1-c1ccccc1)CCCC3 103929154 HDCDWWRANUMHSK-UHFFFAOYSA-N 279.343 2.877 0 3 CFAF CC1(C)Oc2ccc(Cl)cc2[C@H](N2CCCC2=O)[C@@H]1O 26293692 DKBATQOPZPZAEX-KBPBESRZSA-N 295.766 2.535 0 1 CFAF CS[C@]1(C)C[C@@H]2[C@@H](C[C@H]1N1CCOCC1)C2(C)C 102961228 LZTQTTOSHLGSSO-RGCMKSIDSA-N 269.454 2.875 0 1 CFAF Cc1ccc2c(c1)N=C1N(c3ccccc3)CC[C@@]1(O)C2=O 24970236 KAJFGRLMKVNMLH-GOSISDBHSA-N 292.338 2.863 0 1 CFAF in-vivo O=C1[C@@H]2CCCN2[C@H](c2ccccc2)N1c1ccccn1 104197632 FHOUKTCDMZUIKD-HOCLYGCPSA-N 279.343 2.591 0 3 CFAF COc1ccc([C@@H]2CCNC2=O)cc1OC1CCCC1 27406531 UOKUYZMGZUKXLD-ZDUSSCGKSA-N 275.348 2.620 0 1 CFAF CSC[C@H]1C[C@H]2c3cccc4[nH]nc(c34)C[C@H]2N(C)C1 27556018 GRJIHXZSQOIHFF-ITDIGPHOSA-N 287.432 2.886 0 1 CFAF Cc1cccc(Cl)c1NC(=O)[C@](C)(O)C(F)(F)F 26380627 UWMLUSUJGSNBPJ-JTQLQIEISA-N 281.661 2.900 0 1 CFAF CCOc1ccc(C(=O)c2ccc3n2CC[C@@H]3C(=O)O)cc1 25996033 AAMLNSOOKQMCSS-ZDUSSCGKSA-N 299.326 2.690 0 1 CFAF CCCCN1Cc2cc(OCCCC(=O)O)ccc2C1=O 29480067 ADZABBUJRQMYOO-UHFFFAOYSA-N 291.347 2.686 0 1 CFAF CC(=C[C@H](C)C[C@H](C)C(=O)O)[C@@H]1CC[C@](C)([C@H](C)O)O1 2356631419 BVFQDPRIMUDOQZ-HBXGPHBESA-N 284.396 2.998 0 1 CFAF CC1=CC[C@@H]2[C@H](C1)C(=O)c1ccc3c(c1[C@H]2O)OCO3 2356752665 IDEZBPJGADQLHU-VPJDZLOFSA-N 272.300 2.618 0 1 CFAF CC(C)C[C@H](N)[P@](=O)(O)[C@@H](O)CCc1ccccc1 28702389 OPWYDOUDKJTIEP-ZIAGYGMSSA-N 285.324 2.539 0 1 CFAF O=C(CCc1ccccc1)C[C@H](O)CCc1cccnc1 71340607 WAKBEXDMNDFUGW-GOSISDBHSA-N 283.371 2.967 0 1 CFAF COc1ccc2c(=O)c3c([nH]c2c1)CCC(F)(F)C3 72110141 CJDNYPWOMABQBT-UHFFFAOYSA-N 265.259 2.661 0 1 CFAF Cc1cc2ccnc(N[C@@H]3C[C@@H]4CC[C@H](C3)N4C)c2nc1O 473134298 HBGWEOSHQILMON-BTTYYORXSA-N 298.390 2.681 0 1 CFAF Cc1cncc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c12 586906319 LBJNPEPYIBBZBE-AWNIVKPZSA-N 277.283 2.935 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H]3CC[C@H](C1)O3)O2 587407960 JXCRZZYJRPZIGN-SOSAQKQKSA-N 273.332 2.623 0 1 CFAF COc1cncc2nc([C@@H]3CCCC(=O)CC3)[nH]c12 586887513 UOTMMYGQVZTORJ-SECBINFHSA-N 259.309 2.583 0 1 CFAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(F)cnc4[nH]1)(C3)C2 587969435 PLSQJVOLWSMOMM-VWJBHBPUSA-N 285.322 2.744 0 1 CFAF Cc1ccc(C)c(Cc2nc3cc(=N)[nH]cc3[nH]2)c1 587958813 KEAVCHQTHGONCX-UHFFFAOYSA-N 252.321 2.578 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](c1ccncn1)CC2=O 587486549 CLMOLLDDXFRUFH-OAHLLOKOSA-N 284.315 2.841 0 1 CFAF Cc1c(Br)cc2nc(C[C@@H](C)O)[nH]c2c1C 586893314 XKXGZOZMQRQGIU-ZCFIWIBFSA-N 283.169 2.866 0 1 CFAF CCCOc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587559544 KHRMWYIMVKOEIZ-UHFFFAOYSA-N 297.314 2.892 0 1 CFAF COC(=O)c1cc2[nH]c(C3CCC3)nc2cc1OC 586883892 HZCCQBRHACSXQM-UHFFFAOYSA-N 260.293 2.626 0 1 CFAF COc1cc2nc(C(C)(C)SCC(=O)O)[nH]c2cc1C 586959984 UPEOEVQOXKTPQY-UHFFFAOYSA-N 294.376 2.933 0 1 CFAF CCC[C@H](c1nc2c(O)nc(S)nc2[nH]1)C(C)C 587956274 QEBQUQJSQNVJEY-ZETCQYMHSA-N 266.370 2.887 0 1 CFAF CC[C@@]1(c2nccn2C)CC(=O)c2cc(C)cc(N)c2O1 587389061 DZVNIMCDJINUND-INIZCTEOSA-N 285.347 2.581 0 1 CFAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1O)CC2=O 587484350 SZSKBLFFTFCANO-HOCLYGCPSA-N 276.332 2.594 0 1 CFAF CCc1cc(O)ccc1-c1ccc2c(C(=O)NC)n[nH]c2c1 1772630635 JEFYVQHLUYYMLG-UHFFFAOYSA-N 295.342 2.858 0 1 CFAF COC(=O)c1c2n(c3ccccc13)C[C@H]1OC(C)(C)O[C@@H]21 5499000 WZRKQZFGNDPESZ-BXUZGUMPSA-N 287.315 2.634 0 1 CFAF O[C@@H]1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1 13860528 JUTRRVUBIZHCRH-GOSISDBHSA-N 297.398 2.723 0 1 CFAF O=C1C[C@@H](c2ccccc2)CN1c1ccc2c(c1)CNCC2 169347284 CONMISGKOTXGAI-QGZVFWFLSA-N 292.382 2.853 0 1 CFAF Fc1cc(-c2cccnc2)cc2c1-n1cnnc1CC2 203553157 ADUZVRQZQAEEME-UHFFFAOYSA-N 266.279 2.567 0 1 CFAF Nc1c(CC(=O)O)cccc1C(=O)c1cccc(Cl)c1 29203233 NUJKRYNIXLANHC-UHFFFAOYSA-N 289.718 2.780 0 1 CFAF O=C1c2ccccc2OC[C@]12O[C@]21C=CC(Cl)=CC1 1658166 CRBUDKIYSKYRSV-GJZGRUSLSA-N 274.703 2.852 0 1 CFAF CC1=C[C@@H]2[C@H]([C@H](C)CO)CC[C@@H](C(=O)O)[C@@H]2CC1 2356325414 XJQKXTUWCXCVTK-MBJXGIAVSA-N 252.354 2.698 0 1 CFAF O=C(O)Cn1ccc(-c2ccc3ccccc3c2)n1 103177035 HYASGHFWFCFYOO-UHFFFAOYSA-N 252.273 2.788 0 1 CFAF Cc1nsc(-c2ccc[n+](Cc3ccccc3)c2)n1 103192289 NGBZZRJVWNTQPS-UHFFFAOYSA-N 268.365 2.849 0 1 CFAF CC(C)(C)c1ccc(C(=O)N2CCS[C@@H]2C(=O)O)cc1 103322502 OLJAZBCLSPIGBW-CYBMUJFWSA-N 293.388 2.584 0 1 CFAF CCC[C@@H](COC)NC(=O)c1ccc(OC)c(C)c1 114430392 RAUQBCXQNPMQKX-ZDUSSCGKSA-N 265.353 2.549 0 1 CFAF C=C(/C=C(\C)OC(C)=O)OC/C=C/[C@H]1CC(=O)C(C)(C)O1 29550867 HXLNQXKFTIHYCA-GNRGZXMYSA-N 294.347 2.676 0 1 CFAF COC(=O)C(C)=C[C@H](C)C[C@H](C)C[C@@](C)(O)C[C@@H](C)O 2356729777 IQQFJADQXWBZGX-FAXLKDOZSA-N 286.412 2.680 0 1 CFAF Cc1cc(Cl)cc(C)c1NC(=O)[C@@H](N)C(C)C 28636929 OAKGNSAYGOTIJG-NSHDSACASA-N 254.761 2.879 0 1 CFAF CC(=O)C[C@@H]1C=CC[C@H](C[C@H](O)c2ccccc2)N1C 1578715 XPKBUMWSRMMYSD-BBWFWOEESA-N 273.376 2.718 0 1 CFAF biogenic CCC[C@@H](O)c1ccc(O[C@H]2CCOC2)c(OC)c1 40872652 XHDUWXZQVUSXPT-QWHCGFSZSA-N 266.337 2.696 0 1 CFAF Cc1cc2nc(C[S@@](=O)CC3CC3)[nH]c2cc1C 586959679 OYEZQQPGVPJGDH-SFHVURJKSA-N 262.378 2.838 0 1 CFAF Cc1cncc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c12 587970134 ZNINGKJYLOEIPH-NVSAGUJYSA-N 281.359 2.913 0 1 CFAF COc1cc2nc(-c3csc4c3CCOC4)[nH]c2cn1 587031661 KECFABRGICLWHH-UHFFFAOYSA-N 287.344 2.768 0 1 CFAF CN(C)C(=O)Cc1nc2cc(Cl)c(Cl)cc2[nH]1 587196599 AFVZPTJUNKZNDV-UHFFFAOYSA-N 272.135 2.500 0 1 CFAF Cc1cnc2[nH]c([C@]3(N)C[C@@H]3c3ccccc3F)nc2c1 587154346 DOZSRXROUKZWAJ-BZNIZROVSA-N 282.322 2.747 0 1 CFAF O[C@H]1CC[C@@H](c2nc3ccc(Br)nc3[nH]2)CC1 586899386 OIRYXCMARFDUGP-OCAPTIKFSA-N 296.168 2.739 0 1 CFAF Nc1c(-c2nc3cnncc3[nH]2)ccc2ccccc12 587254197 WASDWSCOIPWWCS-UHFFFAOYSA-N 261.288 2.755 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(C[C@@H]4C=CC[C@@H]41)[C@@H](C2)C3=O 587446770 FRIAQAAPQGJECY-DKYWSHINSA-N 268.312 2.777 0 1 CFAF O=c1ccc2cc(-c3nc4nc(Cl)c[nH]c-4n3)ccc2o1 586916700 VJEFKDYOUTXBCY-UHFFFAOYSA-N 298.689 2.731 0 1 CFAF COc1cc(C)ccc1OCc1nc2cncc(OC)c2[nH]1 587564860 ZSDDXOZVRSQHIL-UHFFFAOYSA-N 299.330 2.863 0 1 CFAF COc1nccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c12 586902325 KLGWLYUNJYTYHR-WCQYABFASA-N 281.315 2.536 0 1 CFAF COc1ccc2c(c1)C[C@@H](c1nc3cncnc3[nH]1)CC2 587947230 UBPDDGFHNNOHLU-NSHDSACASA-N 280.331 2.634 0 1 CFAF O=C1C[C@H](C2[C@H]3COC[C@H]23)Oc2c1ccc1c2CCCC1 587536258 SUXDOYGOKGUFRS-OFQRWUPVSA-N 284.355 2.792 0 1 CFAF CC1=CC[C@]2([C@@H](C(=O)O)CC[C@H]2C(C)C)[C@H](O)C1 1857601497 FXYBBASEDHOEBZ-JLNYLFASSA-N 252.354 2.841 0 1 CFAF O=c1o[nH]c(-c2ccncc2)c1-c1ccc(F)cc1 101495755 TVQCSNNCMIJXAA-UHFFFAOYSA-N 256.236 2.836 0 1 CFAF Oc1c2nc3ccccc3c-2ncn1CCCN1CCCC1 103904158 BHKIUARSQDGPNX-UHFFFAOYSA-N 296.374 2.728 0 1 CFAF CNC(=O)N(C)[C@H]1c2ccc(OC)cc2Oc2ncccc21 28019735 RHPWIDDBRXYXAY-AWEZNQCLSA-N 299.330 2.557 0 1 CFAF CC(C)Nc1nccc2c1nnn2Cc1ccccc1F 27410379 UCFJLWSQZJUUSF-UHFFFAOYSA-N 285.326 2.834 0 1 CFAF CNC(=O)[C@H](OC)c1ccccc1COCc1ccccc1 103177108 RWVGWQXQEUYQSY-QGZVFWFLSA-N 299.370 2.837 0 1 CFAF O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2cn[nH]c2c1 114156744 RJUIETDWZAGQNR-GUYCJALGSA-N 275.311 2.940 0 1 CFAF CC(C)N[C@H](C)[C@H](O)COc1cccc2occc12 28767713 ZFBWVIDHCPKVMH-DGCLKSJQSA-N 263.337 2.559 0 1 CFAF COC(=O)C1=CC[C@@](C)([C@@](C)(O)CC=CC(C)(C)O)CC1 2356769899 QCLBMEWHUVHURX-SJORKVTESA-N 296.407 2.744 0 1 CFAF CCC(=O)NCCc1cn2c3c(cccc13)CCC2 28712579 DAUGIYALPKXCNB-UHFFFAOYSA-N 256.349 2.656 0 1 CFAF c1cnc(Nc2nc3c(s2)CCCc2n[nH]cc2-3)nc1 72120121 HYJWPTWQMAYKAM-UHFFFAOYSA-N 284.348 2.556 0 1 CFAF CC(=O)[C@]12C[C@]3(C)CCCN(C(=O)N[C@H]1c1ccccc1)[C@@H]32 36382028 ONTKFHSXUVMCCB-UOVPBQLFSA-N 298.386 2.901 0 1 CFAF C=CC(=O)Nc1cccc(-c2cnc3[nH]ccc3c2)n1 221042901 HUBFPPMICSBHGU-UHFFFAOYSA-N 264.288 2.749 0 1 CFAF CC(=O)OCC1=COC(=O)C2=C(C)CC[C@H]3[C@@H]([C@@H]12)C3(C)C 85947330 YJKINWCUNDJLLA-QEJZJMRPSA-N 290.359 2.989 0 1 CFAF CCN1C(=O)N[C@H](CCc2ccccc2)[C@@H](C(C)=O)[C@H]1C 195374401 ZGEBMMSVPHZVMT-DAXOMENPSA-N 288.391 2.627 0 1 CFAF COc1cc2ccc(=O)oc2cc1OC[C@H](O)C(C)(C)C 238745833 HWUGSZDCJZLGDI-AWEZNQCLSA-N 292.331 2.587 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CC[C@H]1CCOC1)O2 587413084 PQKAEAPSKXQZPV-NWDGAFQWSA-N 275.348 2.728 0 1 CFAF CC1(C)c2nc3cccc4c3c(c2[C@@H]1C(=O)O)CC4 587214894 FKVILUAKXOWDMS-CYBMUJFWSA-N 253.301 2.793 0 1 CFAF COc1cc2nc(C[C@H](C)CCC(=O)O)[nH]c2cc1F 587962893 KNNGKLLUWDCKHK-MRVPVSSYSA-N 280.299 2.754 0 1 CFAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cccc(O)c2[nH]1 586909638 ZPMPDZURMLWBJM-SECBINFHSA-N 282.299 2.849 0 1 CFAF CC[C@H]1OCCC[C@@H]1c1nc2cccc(C(=O)O)c2[nH]1 586913393 RDKBTFMMDHCJDE-JOYOIKCWSA-N 274.320 2.934 0 1 CFAF CC(=O)N[C@@H](Cc1nc2cccnc2[nH]1)c1ccc(C)cc1 587217414 VWCJGCQBUYPKEB-HNNXBMFYSA-N 294.358 2.686 0 1 CFAF Cc1cc(O)n(NCc2ccccc2Br)c1O 587939439 CVICCYQBXIMCGU-UHFFFAOYSA-N 297.152 2.714 0 1 CFAF COc1cc2nc(-c3ccc(OC)nc3Cl)[nH]c2cn1 587084258 VVPXJIWHRPRDDX-UHFFFAOYSA-N 290.710 2.691 0 1 CFAF O=C(O)c1ccnc(-c2cn(Cc3cccc(F)c3)cn2)c1 225938194 ZJSZJNLCAOPVEJ-UHFFFAOYSA-N 297.289 2.831 0 1 CFAF CCCC[C@]1(O)c2nc(N)nc3c2[C@H](CC3)C[C@@H]1C 13452793 ODIYSPYVMYETKA-FEUHOPSXSA-N 261.369 2.506 0 1 CFAF CN(C)CCOc1ccc2c(c1)nc(O)n2-c1ccccc1 169326290 ZWYRNOXVSAXFSK-UHFFFAOYSA-N 297.358 2.672 0 1 CFAF O=c1[nH]c2cnc(C(F)(F)F)cc2n1Cc1ccccc1 169329891 DJRBTSAHOJBLCC-UHFFFAOYSA-N 293.248 2.792 0 1 CFAF CC[C@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3 169366104 POIANFSUDFGZHE-VMTHALKISA-N 280.364 2.853 0 1 CFAF O=c1[nH]c(-c2ccccc2)c(O)n1-c1ccccc1 169729419 YRRSHVPRUYFAQW-UHFFFAOYSA-N 252.273 2.538 0 1 CFAF CN1C=C(c2ccccc2)[C@H](c2ccccc2)[C@@H](O)C1=O 4773 INMHUVDZWKKAOF-DLBZAZTESA-N 279.339 2.644 0 1 CFAF endogenous,in-man COC(=O)[C@@H]1CC[C@]2(C)[C@H]3COC(=O)C3=CC[C@@H]2C1(C)C 2356332391 CIXCKWJWPAIIEX-APNQJHFZSA-N 292.375 2.721 0 1 CFAF CN1[C@@H]2CCc3ccccc3[C@]1(O)c1ccccc12 100649233 STUAGFZGFQVIOY-SJORKVTESA-N 251.329 2.813 0 1 CFAF COc1cccc(NC(=O)[C@]2(C)CCN2C(C)C)c1OC 61903224 WUCVTTIFZJWPSK-INIZCTEOSA-N 292.379 2.515 0 3 CFAF O=C(OCc1ccc(F)cc1)c1cccc(S)n1 28969207 BLOAUADPJKEVHV-UHFFFAOYSA-N 263.293 2.866 0 1 CFAF O=C(O)COc1ccc(-c2nocc3cccc2-3)cc1 28568991 SBHYFUZCMDFZSR-UHFFFAOYSA-N 269.256 2.910 0 1 CFAF CSC[C@H]1C[C@@H]2c3cccc4[nH]nc(c34)C[C@H]2N(C)C1 27556022 GRJIHXZSQOIHFF-JVLSTEMRSA-N 287.432 2.886 0 1 CFAF Cc1n[nH]c(C)c1CC(=O)NCc1cccc(Cl)c1C 43177550 DGIONNLHBPBPEU-UHFFFAOYSA-N 291.782 2.847 0 1 CFAF CCOC(=O)c1ccc2nc(COC(F)(F)F)[nH]c2c1 587123061 GIPONAWRQUDUTC-UHFFFAOYSA-N 288.225 2.776 0 1 CFAF CC[C@@H]1OCCC[C@@H]1c1nc2nc(Cl)c[nH]c-2n1 586909945 GGEIQZZJDDXWDM-YUMQZZPRSA-N 266.732 2.631 0 1 CFAF Cc1ccc(CCc2nc3ccc(CO)cc3[nH]2)cc1N 587250087 GQVKXQQDXCWPOO-UHFFFAOYSA-N 281.359 2.731 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1ccccn1)[C@@H](C2)C3=O 587436283 PJPDIRLBKPQIDI-YVEFUNNKSA-N 281.311 2.753 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)nn(C)c1C)O2 587392567 ZOPVZHRUTNFYAB-QGZVFWFLSA-N 299.374 2.808 0 1 CFAF COc1cc2nc(-c3cncc(F)c3)[nH]c2cc1F 587177438 XASFJFHPKDZAHO-UHFFFAOYSA-N 261.231 2.912 0 1 CFAF COc1cc(Cl)ncc1[C@H]1NCCc2ccc(O)cc21 963344098 YKZPVWRYXFMFMW-HNNXBMFYSA-N 290.750 2.684 0 1 CFAF CCCC1CCN(C(=O)[C@@](C)(OC)C(F)(F)F)CC1 13804150 YUGHLBDJZQKRMG-GFCCVEGCSA-N 281.318 2.993 0 1 CFAF Oc1ccc(-n2cnc3cc(O)cc(O)c3c2=S)cc1 13685486 UMIQKPGMIZNJPF-UHFFFAOYSA-N 286.312 2.872 0 1 CFAF Fc1ncc(Cl)cc1Nc1n[nH]c2cccnc12 167010433 GFUKOUBPFRBDFQ-UHFFFAOYSA-N 263.663 2.889 0 1 CFAF COc1cccc2c1S(=O)(=O)c1ccccc1O2 26255439 MHCNLQPRBLVIJE-UHFFFAOYSA-N 262.286 2.634 0 1 CFAF CCCCSc1nsnc1[C@@H]1CN2CC[C@H]1C2 2014552 TXFYJYGOWBXYMH-VHSXEESVSA-N 269.439 2.849 0 1 CFAF CC(C)=CCC[C@@]1(C)Oc2ccc(C(N)=O)cc2C[C@@H]1O 2356341307 LIJVEWSHDPKZMX-DOTOQJQBSA-N 289.375 2.586 0 1 CFAF Cc1cc(O)c2c(O)cccc2c1-c1cc(=O)cc(O)o1 101364026 MQXUOBANQWOATN-UHFFFAOYSA-N 284.267 2.885 0 1 CFAF CNC(=O)N(C)[C@@H]1c2cc(F)ccc2Oc2ncccc21 28006993 HUYSZMGHXCGNOP-ZDUSSCGKSA-N 287.294 2.687 0 1 CFAF COc1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2N(C)C)c1 27624005 NBUGICWZAWRVES-JKSUJKDBSA-N 290.407 2.640 0 1 CFAF NC(=O)N(O)Cc1cccc2c1oc1ccccc12 29568940 GQRHYEOVAPBDTF-UHFFFAOYSA-N 256.261 2.856 0 1 CFAF Cc1cc(-c2ccccc2)nc(N2CCC[C@@H](C(=O)O)C2)n1 20463302 WZKRUNXTGJTLIY-CQSZACIVSA-N 297.358 2.753 0 1 CFAF CCCCn1ccc(=O)n2nc(-c3ccccc3)cc12 29414019 JLWKCKUPXQVIMD-UHFFFAOYSA-N 267.332 2.963 0 1 CFAF COc1ccccc1[C@H]1NC(c2ccccc2C)=NO1 25106351 VPNYFTJYXRDYHS-INIZCTEOSA-N 268.316 2.984 0 3 CFAF CCOCSc1nc(Cc2ccccc2)c(C)c(=O)[nH]1 49113232 WRJWRYWHZITTLM-UHFFFAOYSA-N 290.388 2.755 0 1 CFAF CCCc1nnc(NCCn2nc(C)c(Cl)c2C)o1 95359093 GDIMYFTVOJJFAL-UHFFFAOYSA-N 283.763 2.601 0 1 CFAF NCC[C@H]1COC(c2ccccc2)(c2ccccc2)CO1 473170864 SFESLLNASKFHRG-KRWDZBQOSA-N 283.371 2.694 0 1 CFAF CCn1cc(-c2csc(N)n2)c(=O)c2cc(F)ccc21 653895770 NNUAZRHGLYHFAX-UHFFFAOYSA-N 289.335 2.866 0 1 CFAF O=C(O)Cc1c(-c2ccncc2)[nH]c2cccc(F)c12 587637070 UQJGJZPWGQBAHJ-UHFFFAOYSA-N 270.263 2.996 0 1 CFAF OCc1ccc(-c2nc3ncc(Cl)cc3[nH]2)cc1 586895486 JHRJVXMSTUKJQL-UHFFFAOYSA-N 259.696 2.771 0 1 CFAF Oc1nc(O)c2nc(-c3ccc(C4CCC4)cc3)[nH]c2n1 586879908 IUYGMTUYOIMLJG-UHFFFAOYSA-N 282.303 2.699 0 1 CFAF Cc1ccc(SCc2nc3c[nH]c(=N)[nH]c-3n2)c(C)c1 586965456 XLANWFSHSYVTCU-UHFFFAOYSA-N 285.376 2.626 0 1 CFAF COc1cc(C)ccc1-c1nc2c(N)ccnc2[nH]1 587926337 XHXAWZZTZUTWBG-UHFFFAOYSA-N 254.293 2.524 0 1 CFAF CCOCC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874133 VGPJYBDGOBOBHO-UHFFFAOYSA-N 262.240 2.472 0 1 CFAF COc1ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2n1 586902721 MDMILZQZXVVAHW-WCQYABFASA-N 281.315 2.536 0 1 CFAF O=C(O)/C(S)=C/c1ccccc1Br 169325390 PCICPQGMOUITDE-YVMONPNESA-N 259.124 2.804 0 1 CFAF CCOc1cc(CN=O)cc(Br)c1O 957564530 YESWXEZVXZODBV-UHFFFAOYSA-N 260.087 2.820 0 1 CFAF CC1=CC[C@H](O)[C@@H](C)C[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 1857549079 LAOQYXNUSDEVJK-HTVCTNPSSA-N 252.354 2.681 0 1 CFAF CSC[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(c34)[C@@H]2O1 142783099 GYUHVILBXXBZDS-PEYYIBSZSA-N 288.416 2.827 0 1 CFAF Cc1cc(C)n(C(=O)c2coc(-c3ccccc3)n2)n1 1772650732 CHVDOELPVUBUOZ-UHFFFAOYSA-N 267.288 2.843 0 1 CFAF CCN(C)C(=O)Oc1ccc2c(c1)NC[C@@H]2CCN(C)C 169329569 UYYWQSJKMPSFDU-LBPRGKRZSA-N 291.395 2.598 0 1 CFAF O=C(O)c1ccc([S@](=O)c2ccc(Cl)cc2)cn1 169338965 XLDFCDAWGCTKAW-GOSISDBHSA-N 281.720 2.600 0 1 CFAF CCCCCOc1nsnc1C1=CCCN(C)C1 13456673 JJWIFEIHNQNTLK-UHFFFAOYSA-N 267.398 2.826 0 1 CFAF Oc1ccccc1Nc1nc2ccccc2n2cnnc12 4910414 SQGCTOSBQHLNKR-UHFFFAOYSA-N 277.287 2.727 0 1 CFAF O=c1c2cc(Cl)ccc2nc2n1N[C@H](c1ccccc1)C2 29466576 CODWOHMXPUSXMV-AWEZNQCLSA-N 297.745 2.891 0 1 CFAF CC(C)(C)C/C=C(\NC(=O)[C@H]1CC1(C)C)C(=O)O 26026226 KAECJCXPSKTRGQ-WPVMNKCKSA-N 253.342 2.553 0 1 CFAF CCNC(=O)Oc1cccc2c1CC[C@@H]1CCN(C)[C@@H]21 28466266 QJKKNTBZVBEQGM-IAQYHMDHSA-N 274.364 2.734 0 1 CFAF COc1cc2c3c(c1O)C(=O)O[C@@H]3[C@H](C(C)C)CC2 2356499805 KOVUJUAMDOMNJU-LKFCYVNXSA-N 262.305 2.831 0 1 CFAF CCCC(=O)NCCCc1cccc2nc(C)oc12 27211872 QEIZVISQSVFFDI-UHFFFAOYSA-N 260.337 2.985 0 1 CFAF COc1cc(C(=S)NCc2ccc(O)cc2)ccc1O 66124548 PVUCDJGDMYKQAV-UHFFFAOYSA-N 289.356 2.572 0 1 CFAF COc1ccc(C(=O)CCCCCN(C)C)cc1O 49055639 KHPBRJKLVIUPRG-UHFFFAOYSA-N 265.353 2.706 0 1 CFAF CNC(=O)[C@@H](Oc1ccc2ccccc2c1)c1csnn1 40753227 HPMLTKURFXDLIZ-AWEZNQCLSA-N 299.355 2.557 0 1 CFAF CCCCNc1nc(N2C[C@H](C)O[C@@H](C)C2)ncc1C 82202927 MNULHYZDELNFGF-STQMWFEESA-N 278.400 2.611 0 1 CFAF c1cncc(-c2cnc3c(N4CCOCC4)snc3c2)c1 223235746 RWOVPGNPLZJNIC-UHFFFAOYSA-N 298.371 2.590 0 1 CFAF COc1cc(O)cc2c1OC(=O)c1c(O)cc(C)cc1C2 238768305 KVCDHVQUMGORFP-UHFFFAOYSA-N 286.283 2.538 0 1 CFAF COc1cccc(-c2cccc3c2CC(=O)[C@H](N)CC3)c1 473085559 XVJKSDVSVRMVEM-QGZVFWFLSA-N 281.355 2.747 0 1 CFAF NC[C@H]1C[C@H]1c1cc(Cl)c(F)cc1OCCF 653714999 VDLBSMJQDHUJPK-HTQZYQBOSA-N 261.699 2.890 0 1 CFAF O[C@@H](c1nc2cc(F)cnc2[nH]1)c1ccccc1Cl 587059318 OKYXENLVAFPKDA-LLVKDONJSA-N 277.686 2.832 0 1 CFAF N[C@H](c1ccsc1)c1nc2ccc(Cl)nc2[nH]1 587025569 OOKDSGMPVCVXNQ-SECBINFHSA-N 264.741 2.721 0 1 CFAF CCOC(=O)Cc1nc2cc(Cl)cc(Cl)c2[nH]1 587777622 VGTUANHRWKQGGC-UHFFFAOYSA-N 273.119 2.975 0 1 CFAF COc1ncc(C)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587393793 MRYQYMMYQODXCL-OAHLLOKOSA-N 298.342 2.996 0 1 CFAF CCOC(=O)CNc1ccc(-c2nc3ncccc3[nH]2)cc1 587225410 QROCBPWFHIXZJA-UHFFFAOYSA-N 296.330 2.600 0 1 CFAF N[C@@H]1CC[C@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)C1 587247044 STZSTCCOAPYYQO-NTSWFWBYSA-N 271.151 2.860 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(O)cc(O)c1)O2 587403115 GALDQOIYEYWQSR-HNNXBMFYSA-N 285.299 2.695 0 1 CFAF CSc1ccc2[nH]c(/C=C/C=C/C(=O)O)nc2c1 587968675 NRGLIJHEJONKNP-ZUVMSYQZSA-N 260.318 2.939 0 1 CFAF Oc1nc(O)c2ccc(CCC3CCCCC3)nc2n1 587561358 OKZHVYAYUJXESR-UHFFFAOYSA-N 273.336 2.949 0 1 CFAF Oc1nc(O)c2ccc(-c3ccccc3C3CC3)nc2n1 587560494 CMOOKEVNPXZSAB-UHFFFAOYSA-N 279.299 2.980 0 1 CFAF Cc1cccc([C@@H]2SCC(=O)N2CCCN(C)C)c1 13650870 JQTGFYQIDVWXPH-HNNXBMFYSA-N 278.421 2.521 0 1 CFAF c1cc2c(cc1CN[C@H]1[C@H]3[C@H]4C[C@H]5[C@H]3C[C@H]3[C@@H]5[C@@H]4[C@H]13)OCO2 169299922 VGYQUDBPYFLBLJ-NRXMSJKESA-N 295.382 2.651 0 1 CFAF C[C@]12CO[C@@]3(C(=O)Nc4nccs4)C[C@@H]1CC[C@@]32C 169689382 BTWJITAQMDZBHX-OLRMPSLUSA-N 278.377 2.677 0 1 CFAF Cc1c(O)c(Cc2cccnc2)c(C)c(O)c1/C=C/C(=O)O 169712485 UBJGBZSOBVYMJF-AATRIKPKSA-N 299.326 2.798 0 1 CFAF Nc1oc2cnccc2c1Nc1ccc2c(c1)OCO2 1857774742 YFHBDQSLSNWARC-UHFFFAOYSA-N 269.260 2.882 0 1 CFAF CC=C[C@H]1Nn2c(nnc2-c2ccc(OC)cc2)S1 2356442395 AOVNSEPYBQUMEN-NSHDSACASA-N 274.349 2.505 0 1 CFAF CN(C)CCOC(=O)CC12CC3CC(CC(C3)C1)C2 4141459 AJBBHKOKRAUUJW-UHFFFAOYSA-N 265.397 2.698 0 1 CFAF CC(=O)OCC(C)=CC[C@@H](O)C(C)=CCCC(C)=CCO 2356653877 STABTSMVMWIOSJ-QGZVFWFLSA-N 296.407 2.912 0 1 CFAF CC(=CCO)CCC[C@](C)(O)CCCC(C)(C)O 2356724895 CLCHLTGVDVMBRQ-HNNXBMFYSA-N 258.402 2.788 0 1 CFAF CN(C)C1=N[C@@H](c2ccc(N)cc2)c2ccccc2C1 26576778 OOFIWQUZAULGDF-KRWDZBQOSA-N 265.360 2.874 0 1 CFAF COc1cc(O)c2c(c1)CO[C@H]2c1c(O)cc(C)cc1O 2356800145 PSLVXKINDQRBMH-MRXNPFEDSA-N 288.299 2.740 0 1 CFAF CNCCOc1cncc(-c2ccc3[nH]nc(C)c3c2)c1 63539954 VYACUCWGDYRIAG-UHFFFAOYSA-N 282.347 2.532 0 1 CFAF C/C(=C\c1ccccc1)[C@@H]1C[C@H]1NCc1cnc[nH]1 1911572867 YOOUNUYZDCFBHO-GNAVJYDXSA-N 253.349 2.991 0 1 CFAF CN1CCc2cccc3c2[C@@H]1Cc1ccc(NC(N)=O)cc1-3 1911575984 YBSSDSCEOFCFIV-INIZCTEOSA-N 293.370 2.929 0 1 CFAF O=C(NCC1=CC2CCN1CC2)c1ccc(Cl)cc1 84725166 WBBHMVHQWSYPRJ-UHFFFAOYSA-N 276.767 2.679 0 1 CFAF N=C1CCNC(=O)N1c1ccc(Cl)cc1Cl 40762508 FVOVFNPIDOMOML-UHFFFAOYSA-N 258.108 2.890 0 1 CFAF Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1N[C@H](C)C(C)C 82203137 KZWYWIBYEKPNBK-HZSPNIEDSA-N 292.427 2.855 0 1 CFAF Cc1cc(C)c2c(=O)[nH]c(-c3cc(C)c(O)c(C)c3)nc2n1 40898635 ORRYRPGFUIKYOE-UHFFFAOYSA-N 295.342 2.924 0 1 CFAF C[C@H](NC(=O)O[C@H]1[C@@H]2C=C[C@H](O)[C@H]1CC2)c1ccccc1 195468812 NYTSBEZBDJWGFP-SLZITWOASA-N 287.359 2.799 0 1 CFAF Fc1cncc(Cl)c1Cc1nc2c(Cl)ncnc2[nH]1 587175329 BKMRUYFIZOSELN-UHFFFAOYSA-N 298.108 2.785 0 1 CFAF N[C@H](Cc1cscn1)c1nc2cccc(Cl)c2[nH]1 587028154 LKWCHUOKHFGPIN-SECBINFHSA-N 278.768 2.915 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1CCC=CO1)O2 587413633 SZIKOCWJOLSVKM-UONOGXRCSA-N 259.305 2.604 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(C)C)C[C@@H]1C)O2 587392580 BWOIZYUBJRTFQZ-SJCJKPOMSA-N 288.391 2.641 0 1 CFAF Cc1c(Br)ccc2nc(C[C@@H](C)O)[nH]c12 586890222 NDOFECRUAIFVEL-ZCFIWIBFSA-N 269.142 2.557 0 1 CFAF Cc1c(F)ccc2nc([C@H](O)c3cccc(O)c3)[nH]c12 586891168 NHHGUNKNBAHKBI-CQSZACIVSA-N 272.279 2.798 0 1 CFAF COc1nccc2[nH]c(-c3ccc4oc(=O)ccc4c3)nc12 586918717 RDSNJDOHPSRMSV-UHFFFAOYSA-N 293.282 2.740 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ncccc1F)[C@@H](C2)C3=O 587428432 ZHVCLIWOJGYYIN-QFYYESIMSA-N 285.274 2.718 0 1 CFAF O[C@H]1CC[C@@H](c2nc3ccnc(Br)c3[nH]2)CC1 586899899 VSTRBZGEKMRLKW-OCAPTIKFSA-N 296.168 2.739 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(Cc1ccccn1)[C@@H](C2)C3=O 587436221 OGIOXHWJZDOFQC-KBXCAEBGSA-N 295.338 2.839 0 1 CFAF Nc1nc(N)c2nc(CCc3ccc(Cl)cc3)ccc2n1 1772644460 SNZUSEPGDBIFHB-UHFFFAOYSA-N 299.765 2.628 0 1 CFAF CC(=O)O[C@@H](/C=C/c1ccccc1)C[C@H]1CC=CC(=O)O1 13411165 TYMKVQRXYUDCIH-PCCNWKQFSA-N 286.327 2.893 0 1 CFAF COc1ccc(C(=O)c2cc(OC)ccc2C(=O)O)cc1 13530001 KBGDCTOHONRBHS-UHFFFAOYSA-N 286.283 2.633 0 1 CFAF CN[C@@H]1Cc2cc(F)c(O)cc2[C@H]1c1ccccc1 13642488 HYYVCUISUZEIQC-GDBMZVCRSA-N 257.308 2.807 0 1 CFAF COc1ccc(-c2cn3c(n2)c(=O)[nH]c2ccccc23)cc1 13738407 CFFJGJFYNPIPFB-UHFFFAOYSA-N 291.310 2.851 0 1 CFAF CC(C)=CCN1CC[C@H]2c3c(cccc3C(N)=O)CC[C@H]21 13740522 NDRQLZDJEAYQFH-GDBMZVCRSA-N 284.403 2.856 0 1 CFAF N[C@]1(c2ccccc2)C2=NCCCN2c2ccccc21 13897927 QJQWVTITZDKHMZ-KRWDZBQOSA-N 263.344 2.511 0 1 CFAF CO[C@](C)(COC(=O)C(C)C)c1ccc(C)cc1O 14588707 JUQOFHFHZAKXEM-OAHLLOKOSA-N 266.337 2.761 0 1 CFAF biogenic,in-vitro COC(=O)/C(Cl)=C1/C[C@H]1COCc1ccccc1 1629095 JVIKDNHESWBKRY-UMAGAQSHSA-N 266.724 2.889 0 1 CFAF CC1(N=c2[nH]c(-c3cncs3)nc3cnccc23)CC1 1857582282 CQFCYQWHMLKFOU-UHFFFAOYSA-N 283.360 2.535 0 1 CFAF C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C[C@@H](O)[C@H]2O 7997532 PROQIPRRNZUXQM-TYENPDHQSA-N 288.387 2.580 0 1 CFAF COc1ccc2c(c1)[C@@]13CCN(C)[C@@H](C2)[C@H]1C[C@@H](C)C(=O)C3 29221287 ZLXURWCZUPCRCD-JOCQJMSRSA-N 299.414 2.808 0 1 CFAF CC(=O)N1CCc2c(c3cc(Cl)ccc3n2C)C1 103255648 WNNOZCCIZYJYSK-UHFFFAOYSA-N 262.740 2.736 0 1 CFAF Cc1cc(-c2ccc(N(C)C)cc2)nc2ncnc(N)c12 27986605 KDFGUBRNVPBZGL-UHFFFAOYSA-N 279.347 2.648 0 1 CFAF CC1=CN(CC(=O)c2ccc(Cl)cc2)[C](N)C=C1 2356843235 BSCFOPQPYXNTCA-UHFFFAOYSA-N 261.732 2.746 0 1 CFAF Cc1coc(C[C@](C)(O)c2ccc(C(=O)O)cc2)c1 66099209 DYCBWSMIJQTMFD-HNNXBMFYSA-N 260.289 2.736 0 1 CFAF COC(=O)c1nc(C2CCCC2)n(-c2ccc(F)cc2)n1 72181354 VXYKVRKBMFJDQD-UHFFFAOYSA-N 289.310 2.851 0 1 CFAF CC(C)[C@H]1CC[C@]2(C)[C@H]3CC[C@H](C(=O)O)[C@H](O3)[C@H]12 72111185 AXMBGSMQXLXOCB-YZDFOLFKSA-N 252.354 2.937 0 1 CFAF Cn1c(=O)cc(C(F)(F)F)c2cc3c(cc21)NCC3 49925420 BFUUUITWLAZRBL-UHFFFAOYSA-N 268.238 2.525 0 1 CFAF CCOC(=O)[C@]1(CCCc2ccccc2Cl)CO1 40466047 FVVLDKFNNRYYSM-AWEZNQCLSA-N 268.740 2.995 0 1 CFAF Cc1ccc(Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1 45355317 VNMDQIVHQBLBMU-UHFFFAOYSA-N 266.300 2.964 0 1 CFAF CCc1cnc(Nc2ccc([C@H]3CNCCO3)cc2C)nc1 149981394 VIKWBIJBVHOVKC-MRXNPFEDSA-N 298.390 2.752 0 1 CFAF O=C(c1cccc(O)c1)c1cc2cc(O)ccc2[nH]1 299819698 DMVGFIMILGTPFV-UHFFFAOYSA-N 253.257 2.810 0 1 CFAF Cc1cc(N)nc(CCc2cncc(CCCN(C)C)c2)c1 584905752 TUAXAWZDVAYXFN-UHFFFAOYSA-N 298.434 2.647 0 1 CFAF in-vitro COC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587803749 XPINCAXYUXLIDS-XCBNKYQSSA-N 288.160 2.810 0 1 CFAF CCC[C@]1(C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 587401397 WMDZKPYLBAKQSC-MRXNPFEDSA-N 291.347 2.644 0 1 CFAF Cc1c(Br)cnc2[nH]c([C@H]3CCOC3)nc12 586911687 KZPVQXLAQNYDQB-ZETCQYMHSA-N 282.141 2.533 0 1 CFAF Cc1nccc2[nH]c(CCc3cccc(O)c3)nc12 586896446 QSKLCTGFFHQVPU-UHFFFAOYSA-N 253.305 2.757 0 1 CFAF CCc1cc(-n2c(O)nc3ccccc32)c(O)cc1O 584905073 ZNBISFUDIQEGEX-UHFFFAOYSA-N 270.288 2.705 0 1 CFAF in-vitro Nc1cc(F)c(-c2nc3cccc(F)c3[nH]2)cc1N 587137143 PUWZTKJGVMBVGX-UHFFFAOYSA-N 260.247 2.673 0 1 CFAF CNC(=O)[C@H]1C[C@@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1 587234661 HVKTVZUEVIJMDN-QWRGUYRKSA-N 271.364 2.710 0 1 CFAF CCN1C(=O)C(C)(C)c2cnc(Nc3ccccc3)nc21 1772622948 GPKQTDNLUOWUMN-UHFFFAOYSA-N 282.347 2.864 0 1 CFAF COc1c(O)ccc2c1O[C@H](c1ccc(O)cc1)CC2=O 14806944 BMGKZGNJRBKRFC-AWEZNQCLSA-N 286.283 2.813 0 1 CFAF endogenous,in-man CCc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1 169295337 UJNWYPNAZVAHEA-RRCSTGOVSA-N 281.355 2.951 0 1 CFAF O=C1C[N@@]2O[C@@]2(c2ccccc2)c2cc(Cl)ccc2N1 1857585511 UXZCEAOLZZBKGQ-MAUKXSAKSA-N 286.718 2.740 0 1 CFAF CN(C)C1(c2cccs2)CCC2(CC1)OCCO2 27429009 HCMTUKKLOVUFSF-UHFFFAOYSA-N 267.394 2.822 0 1 CFAF CC(=O)NCCN(c1ccccc1)c1ccccc1 28864642 GVRBBQXKFYRRLQ-UHFFFAOYSA-N 254.333 2.961 0 1 CFAF Oc1ccc(-c2cc(-c3c(O)cc(O)cc3O)on2)cc1 1639455 FNLGQAWZJZWYAA-UHFFFAOYSA-N 285.255 2.831 0 1 CFAF Cc1noc(C)c1-c1cncnc1N(C)Cc1ccco1 4266560 IVLZVEBIBSKNRA-UHFFFAOYSA-N 284.319 2.978 0 1 CFAF Clc1ccc2nnc(Cc3ccc4ncccc4c3)n2n1 115369892 SPCIYNGHEUYYRN-UHFFFAOYSA-N 295.733 2.917 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2 100754867 PRQICMQRAXJOCP-AAVRWANBSA-N 279.767 2.737 0 1 CFAF C[C@@H]1CC(C)(C)C[C@@](O)(c2nnc(-c3ccncc3)[nH]2)C1 103176409 DOHPLGDLSMWGJL-BDJLRTHQSA-N 286.379 2.901 0 1 CFAF CO[C@@H]1c2cc(Cl)ccc2OC[C@@H]1n1ccnc1 27327130 WAODWMRDSOILLQ-WCQYABFASA-N 264.712 2.858 0 1 CFAF COC(=O)c1ccc2[nH]cc(C3=CCCN(C)C3)c2c1 26816847 FDVQREUYSILIPX-UHFFFAOYSA-N 270.332 2.673 0 1 CFAF CCN1CC[C@H]2C[C@@H]1c1ccc(OC(=O)NC)cc12 26158949 SMRNNJFLKGLSBA-IINYFYTJSA-N 260.337 2.659 0 1 CFAF Cc1cc(Cl)cc2cc(C(=O)N3CCN(C)CC3)[nH]c12 33995702 YOCWEXPRDLKOBV-UHFFFAOYSA-N 291.782 2.517 0 1 CFAF CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)OC[C@H](C)O 35898717 FLYJSXDJKBHQAU-RVMXOQNASA-N 258.358 2.981 0 1 CFAF endogenous,in-man O=C(CCc1ccccc1)C[C@@H](O)Cc1ccc(O)cc1 49784913 MVRWWRLEWTZBMQ-SFHVURJKSA-N 284.355 2.888 0 1 CFAF C/C1=C\[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@H](O)C/C(C)=C/CC1 137437796 TXSIFZZILWRCIY-GKNPPSSESA-N 250.338 2.602 0 1 CFAF Cc1cc(-c2nnc(N)nc2-c2ccc(F)cc2)cc(C)n1 84602041 NEYZTILMBRSITP-UHFFFAOYSA-N 295.321 2.939 0 1 CFAF O=C1Nc2ccccc2C1(c1ccc[nH]1)c1ccc[nH]1 43065218 ZYZRPXAAKUQTGV-UHFFFAOYSA-N 263.300 2.629 0 1 CFAF COc1ccccc1CC(=O)c1nc2ncc(C)cc2[nH]1 587928710 BEKQMJVRAXVGFA-UHFFFAOYSA-N 281.315 2.700 0 1 CFAF Cc1cnc2[nH]c(CCC(=O)Nc3cccc(F)c3)nc2c1 587164062 YNNKSJURLSTWHA-UHFFFAOYSA-N 298.321 2.977 0 1 CFAF CSc1ccc2nc(-c3nc(Cl)cnc3N)[nH]c2c1 587086330 GADMDJDMGRVMET-UHFFFAOYSA-N 291.767 2.977 0 1 CFAF C=C(NC(C)=O)c1nc2cccc(C(C)(C)C)c2[nH]1 587204638 YPAODRNCCAGNFV-UHFFFAOYSA-N 257.337 2.967 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccc(C=O)cc1)[C@@H](C2)C3=O 587443729 BLOSOKYHJQDSNJ-KBXCAEBGSA-N 294.306 2.996 0 1 CFAF N[C@H](c1nc2cc(Cl)cnc2[nH]1)c1ccc(F)cc1F 587151206 RAWYMXOMSFTDTD-NSHDSACASA-N 294.692 2.938 0 1 CFAF CN[C@@H](c1cccnc1)c1nc2ccc(C)cc2[nH]1 587227219 WVTKTQUSAHNAPF-AWEZNQCLSA-N 252.321 2.575 0 1 CFAF COc1cc2c3c(c1)O[C@H]([C@H]1CCC=CO1)[C@@H](C2)C3=O 587452584 FIZOKADSMDALQX-OZVIIMIRSA-N 272.300 2.504 0 1 CFAF COC(=O)Nc1ccc(-c2nc3cccc(OC)c3[nH]2)cn1 587245851 ZTPMPYDVXFNKOB-UHFFFAOYSA-N 298.302 2.812 0 1 CFAF C[C@@H]1CC=CC[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1 587969825 ALEKSBZSXRPTGB-ZYHUDNBSSA-N 280.335 2.608 0 1 CFAF CCN1c2ccccc2C(=O)N(C)c2cccnc21 5842961 LLQUUSCJXBDESL-UHFFFAOYSA-N 253.305 2.830 0 1 CFAF CC[C@]1(c2cccs2)OC[C@H]([C@@H]2CCCCN2)O1 13453482 RHVIRIGFWFUOAT-SCRDCRAPSA-N 267.394 2.868 0 1 CFAF CCNC(=O)c1[nH]c2ccc(OC)cc2c1OC(C)C 13603783 ALMMYOMBAPAZMA-UHFFFAOYSA-N 276.336 2.713 0 1 CFAF NC(=O)N(O)[C@@H]1COc2ccc(Oc3ccccc3)cc21 13760635 ZNQGRDJOUUDKBL-CYBMUJFWSA-N 286.287 2.682 0 1 CFAF COC(=O)C[C@@H]1C[C@H](C)CC(C2=CCCN3CCC[C@H]23)=N1 15263444 FOKUWLHFPJKDKM-HEHGZKQESA-N 290.407 2.584 0 1 CFAF c1ccc(CCCN=c2[nH]nc(-c3ccncc3)o2)cc1 1857637897 NJIUIBJOLRCNSW-UHFFFAOYSA-N 280.331 2.598 0 1 CFAF CC(=CCCOS(=O)(=O)O)CCCC(C)C 2356307230 POHVULGNUPOWIQ-UHFFFAOYSA-N 250.360 2.969 0 1 CFAF c1ccc2c3nc[nH]c(NC[C@H]4CCCO4)c-3nc2c1 101482279 XTAJUMNZGXRSSK-SNVBAGLBSA-N 268.320 2.654 0 1 CFAF CCCOC(=O)[C@H](C)NC(=O)/C=C/c1ccc(Cl)cc1 103186498 GEVFBMIDVWZOGY-LAHYYIKRSA-N 295.766 2.811 0 1 CFAF Nc1nc(-c2ccccc2)c2c(n1)-c1ccccc1[C@H]2O 28125230 XPSXBOGVFOWJLT-MRXNPFEDSA-N 275.311 2.788 0 1 CFAF CCNC(=O)Nc1ccc(-c2ccc(C(=O)O)cc2)cn1 116500656 YEKQJMWWLRXAAB-UHFFFAOYSA-N 285.303 2.588 0 1 CFAF CO[C@@H]1O[C@H]2C[C@H]1C(CO)=C1CC(C)(C)C[C@@H]1[C@@H]2C 2356584959 YICABYFSQXURPV-VOAKKNSGSA-N 266.381 2.739 0 1 CFAF C[C@@H]1C[C@@H]2CC(=O)[C@@H]3CCCN4CCCC[C@@]23[C@@]4(O)C1 2356704214 LIAOMFRUDNEIRY-WDTWZTHCSA-N 277.408 2.576 0 1 CFAF COc1cc(CC(=O)c2ccoc2)cc(OC)c1OC 26385168 PHUJPPXWLDKVII-UHFFFAOYSA-N 276.288 2.731 0 1 CFAF CC(C)CCn1c(N2CCN(C)CC2)nc2ccccc21 38142545 UJEMSDFRBIBVSI-UHFFFAOYSA-N 286.423 2.834 0 1 CFAF Cc1ccccc1-n1nnnc1CCC(=O)c1ccccc1 49112392 KEQOMCGIGZXATE-UHFFFAOYSA-N 292.342 2.786 0 1 CFAF CC(=O)[C@]12C[C@]3(C)CCCN(C(=O)N[C@@H]1c1ccccc1)[C@H]32 198016776 ONTKFHSXUVMCCB-XYVMCAHJSA-N 298.386 2.901 0 1 CFAF CC(C)[C@@H]1Cc2[nH]n(C)c(=O)c2[C@H](c2ccc(F)cc2)O1 199203508 OJPZTABYHUPEQE-ZFWWWQNUSA-N 290.338 2.539 0 3 CFAF COc1cc(C)c2oc(=O)c(C)c3c2c1[C@@H](C)CO3 140801936 TUHUIFVCBMJRTC-QMMMGPOBSA-N 260.289 2.914 0 1 CFAF Cc1ccc2cc(NC(=O)c3cccnc3N)ccc2n1 618009789 IUQNCHWIJJKUQD-UHFFFAOYSA-N 278.315 2.773 0 1 CFAF COc1cc2nc([C@H](N)c3ccsc3)[nH]c2cc1OC 587026159 VCWNBMQJXVJIBE-CYBMUJFWSA-N 289.360 2.690 0 1 CFAF CCn1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587432819 RMPCYGVRFSSBBD-PXAZEXFGSA-N 298.342 2.574 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(C)c1C)[C@@H](C2)C3=O 587433445 YIMDMHQCNAVRKA-SJCJKPOMSA-N 298.342 2.534 0 1 CFAF O=CN1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587515503 SQNHYVANUJRYAE-UHFFFAOYSA-N 299.370 2.522 0 1 CFAF O=C1N[S@@](=O)(=Nc2ccccc2)c2ccccc21 1772579252 HXSJWIVDPMQIMK-SFHVURJKSA-N 258.302 2.504 0 1 CFAF Cn1c(C(=O)NC[C@H]2CCCO2)cc2sc(Cl)cc21 5036550 VKZJFSUXSKLZNT-MRVPVSSYSA-N 298.795 2.802 0 1 CFAF O=C(c1ccc(O)cc1)c1ncc(-c2ccc(O)cc2)[nH]1 13212678 CVMMSMXAYMWLRK-UHFFFAOYSA-N 280.283 2.719 0 1 CFAF CN(C)CCOc1ccc(-c2cccc(N)n2)c2c1CCC2 13559839 ASCIWHQKWHDNRB-UHFFFAOYSA-N 297.402 2.760 0 1 CFAF CC(C)[C@@H]1Cc2nn(C)c(O)c2[C@H](c2ccc(F)cc2)O1 169340028 BTJDPNGOJNSPCG-ZFWWWQNUSA-N 290.338 2.952 0 1 CFAF CC1=C[C@@H]2O[C@H](C[C@]3(C)C[C@H](O)C(=O)O3)C[C@H](C)[C@H]2CC1 2356323340 BTUXDAQOACITBL-OJTIBXMRSA-N 294.391 2.593 0 1 CFAF CCc1ccccc1NC(=O)c1nc(-c2ccncc2)no1 6841770 JKINXKNKYATOKG-UHFFFAOYSA-N 294.314 2.946 0 1 CFAF O=C1C[C@@H](c2ccc3c(c2)OC2(CCCCC2)O3)CN1 29488640 JHUMVNLBSYEZEQ-GFCCVEGCSA-N 273.332 2.722 0 1 CFAF Cc1ccc(N2NC3=C(N=O)CCC(N=O)=C3N2)cc1 104003998 UITSRDSBARZGIC-UHFFFAOYSA-N 271.280 2.574 0 3 CFAF Fc1cccc2c1ncc1[nH]c(-c3ccon3)nc12 100774018 OXAHAYQTVOCZAE-UHFFFAOYSA-N 254.224 2.905 0 1 CFAF CC(C)CC[C@H](C)NC(=O)OCCCc1c[nH]cn1 36442416 AIPXZCQJTXUFHL-LBPRGKRZSA-N 267.373 2.893 0 1 CFAF CC(C)(OCc1ccn(-c2ccc(Cl)cc2)n1)C(=O)O 27871113 XFTUPEBOUYXRBZ-UHFFFAOYSA-N 294.738 2.906 0 1 CFAF CCc1ccc(O[C@@H](C)[C@@H](O)CNC(C)(C)C)cc1 28227907 DWGXLLQFKBFURM-WFASDCNBSA-N 265.397 2.765 0 1 CFAF CCC1(CC)Oc2ccc3ccc(=O)oc3c2C[C@@H]1O 2356810909 BCOLIVGPBZTFAR-ZDUSSCGKSA-N 274.316 2.648 0 1 CFAF Cc1ccc(Nc2nc3c(s2)CCCc2n[nH]cc2-3)nn1 72120407 UUBXQAQLUVZNFP-UHFFFAOYSA-N 298.375 2.864 0 1 CFAF COc1ccc(/C=C/c2cc(C(N)=O)ccc2OC)cc1 73257950 YLCFPZYLLCDDOQ-ZZXKWVIFSA-N 283.327 2.973 0 1 CFAF Cn1nc(-c2cccs2)c2c3c(c(=O)[nH]c21)CSC3 40428992 XZSCUDQNEVBCHZ-UHFFFAOYSA-N 289.385 2.737 0 1 CFAF COc1cccc([C@@](C)(O)c2ncnc3ccccc23)c1 199275226 YQJUQYQWVCLKCT-QGZVFWFLSA-N 280.327 2.894 0 1 CFAF O=C(Nc1cc(O)cc(O)c1)c1cc(Cl)ccc1O 1911581425 WUDULICAOFQPCJ-UHFFFAOYSA-N 279.679 2.709 0 1 CFAF CN(Cc1cccnc1)[C@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53 299845703 QHQJBDOHEUWLBB-DCUVKMTDSA-N 266.388 2.660 0 1 CFAF CCOCCOCc1nc2ccc(Br)cc2[nH]1 587777523 AMGPBOQPWZKKCY-UHFFFAOYSA-N 299.168 2.879 0 1 CFAF Cc1ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2n1 586900475 CNGORBVOICSJNW-GXTWGEPZSA-N 265.316 2.835 0 1 CFAF CCOC(=O)c1ccc2nc([C@H](C(C)C)N(C)C)[nH]c2c1 587198725 LOAGAGQAGDHEHC-AWEZNQCLSA-N 289.379 2.998 0 1 CFAF C[C@@H]1CC=CC[C@H]1c1nc2ccc(C(N)=O)cc2[nH]1 587967808 SOQJNJFPNLSVAC-MWLCHTKSSA-N 255.321 2.732 0 1 CFAF Oc1nc(O)c2ccc(-c3c(F)cccc3Cl)nc2n1 587368549 SSHIEBTVDFDSMU-UHFFFAOYSA-N 291.669 2.896 0 1 CFAF CCCc1c(O)ccc2c1OC(CF)(CF)CC2=O 587467819 UGAJNKNXKOCOPA-UHFFFAOYSA-N 270.275 2.988 0 1 CFAF C[C@H]1CC(C)(C)C[C@@]2(NCCc3ccc(O)cc32)C1=O 963342073 QUKCUHXWLILEML-GTNSWQLSSA-N 273.376 2.758 0 1 CFAF N=[S@@]1(=O)c2ccccc2C(=O)N1c1ccccc1 1772610924 MWPRNBMQAJJCRS-SFHVURJKSA-N 258.302 2.668 0 1 CFAF NCc1c(N)nc(-c2ccccc2)nc1-c1ccc(F)cc1 14948321 DIEKKGBAKBAYHO-UHFFFAOYSA-N 294.333 2.991 0 1 CFAF CC(=O)Oc1cc2c(c3occc(=O)c13)C=CC(C)(C)O2 15212476 CAVZRUHVJKOBPM-UHFFFAOYSA-N 286.283 2.903 0 1 CFAF CC(=O)NCCc1cccc(-c2cccc(C(=O)O)c2)c1 1857747010 VSVONDXWDQOLJS-UHFFFAOYSA-N 283.327 2.730 0 1 CFAF CC(=C[C@@H]1CC2=C(CO)CC[C@H]2[C@@H](C)C1)C(=O)O 2356402060 XMIPXRBROKIJSG-NDMJEZRESA-N 250.338 2.762 0 1 CFAF CC(C)C1=C(O)[C@@H]2[C@](C)(O)CC[C@@H](O)[C@]2(C)CC1 2356331647 MCIPMASIVZSBIJ-UQOMUDLDSA-N 254.370 2.777 0 1 CFAF O=C(O)/C=C1/C(=O)N(CC2CCCC2)c2c(F)cccc21 101345210 AMDMXQGFNNEHFL-XYOKQWHBSA-N 289.306 2.831 0 1 CFAF Cc1c(-c2ccccc2)[nH]n2c(=O)c3c(nc12)CCCC3 103898286 LYJSALTZPLMGJV-UHFFFAOYSA-N 279.343 2.877 0 3 CFAF CCSc1nnc2c(-c3ccccc3)n[nH]c2n1 9704985 HJQXAZAXZKVKPB-UHFFFAOYSA-N 257.322 2.527 0 1 CFAF Nc1nc(N)c2c(COc3ccccc3F)cccc2n1 28971649 HTKCHSHRTXOEIP-UHFFFAOYSA-N 284.294 2.512 0 1 CFAF COC(=O)[C@@H]1C[C@H]2C[C@H]1[C@H]1[C@@H]2SC(F)(F)C1(F)F 105517148 HCPVBBPSFIHYAT-UIAUGNHASA-N 284.274 2.775 0 1 CFAF Cc1cc(Br)cc(C)c1O[C@H](C)C1=NCCN1 27715980 GJRGYCIJSXSSQL-SNVBAGLBSA-N 297.196 2.835 0 1 CFAF C[C@@H]1CCCC[C@H]1/N=c1/c(-c2ccccc2)c(O)c1=O 103535377 JXVHMSGJSXLZAA-PRBRAMKCSA-N 269.344 2.774 0 1 CFAF C[C@H](C(=O)O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1F 64447912 SNSNKHOGRIQHBJ-PXWWUCIGSA-N 266.312 2.717 0 1 CFAF CCNc1nc2ccccc2n2c(C(C)C)nnc12 26378212 LCOFECDNEBCJEP-UHFFFAOYSA-N 255.325 2.833 0 1 CFAF CC1=C2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@@](C)(O)[C@]2(C)CC1 2356735875 KPANTTZNWNQAGE-VUBORPHZSA-N 264.365 2.826 0 1 CFAF CC1=c2ccccc2=CCN1Cc1c[nH]c2ccccc12 2356845285 ODDSVONQNMFAKF-UHFFFAOYSA-N 274.367 2.592 0 1 CFAF CNC(=O)NC(=O)[C@@H](CC1CCCC1)c1ccccc1 38841166 BSKWDMIUUDRESB-AWEZNQCLSA-N 274.364 2.806 0 1 CFAF CNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccc(F)cc1 40874636 ZDXWQKDOOAYJBD-SJORKVTESA-N 288.366 2.584 0 1 CFAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@H](O)[C@H]2O 40669978 PROQIPRRNZUXQM-FRMKIJSPSA-N 288.387 2.580 0 1 CFAF biogenic,in-vitro CCOC(=O)[C@H]1CCC(c2ccc(C)c(C)c2)=NO1 40901019 OGGRAJOWEXFXRN-CQSZACIVSA-N 261.321 2.750 0 1 CFAF COc1c(F)cccc1-c1csc(N2CCOCC2)n1 263621008 RWYMBUBQZGZFES-UHFFFAOYSA-N 294.351 2.794 0 1 CFAF in-vitro Cc1cc2cccc(NCc3ncc[nH]3)c2nc1O 473136126 XUWWQOHDYAVHBZ-UHFFFAOYSA-N 254.293 2.584 0 1 CFAF O=C1NCCc2c(-c3cc[nH]n3)sc(SC3CC3)c21 653847537 QXXTWJPGQRQVOU-UHFFFAOYSA-N 291.401 2.679 0 1 CFAF C(=C1CCC1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587964534 BMICNCWXBWQTMK-UHFFFAOYSA-N 283.375 2.962 0 1 CFAF c1ccc2c(c1)CC[C@@]21C[C@H]1c1nc2cncnc2[nH]1 586885380 BHVNQZSUZRVDSN-BLLLJJGKSA-N 262.316 2.724 0 1 CFAF CCCC(=O)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443400 ABUSHDKJMPYFOF-BZNIZROVSA-N 274.316 2.571 0 1 CFAF CCCc1c(O)ccc2c1O[C@@](C)([C@H]1CCNC1)CC2=O 587479592 CLDMLTPXLVKPQH-APPDUMDISA-N 289.375 2.678 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cncc(F)c1)O2 587387268 PNQHAYAELSKNQQ-AWEZNQCLSA-N 272.279 2.818 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@]3(C)O[C@@H]31)O2 587406557 CJPIWUUKSHUORE-JYJNAYRXSA-N 273.332 2.623 0 1 CFAF O=C(O)[C@@H](O)CSc1ccc(-c2ccccc2)cc1 146504006 VFOVFYUIMWANJU-AWEZNQCLSA-N 274.341 2.891 0 1 CFAF CC(C)(C)C(=O)C[C@@H]1NCCc2nc3ccccn3c21 962990607 RNCQTPSVOBCGCA-LBPRGKRZSA-N 271.364 2.526 0 1 CFAF O=C(O)c1ccc([S@](=O)Cc2ccc(Cl)cc2)cn1 169337686 KPXOPUFKHYLVSD-LJQANCHMSA-N 295.747 2.741 0 1 CFAF CC(C)c1nn(C)c2c1[C@@H]([C@@H]1CCO[C@H](C)C1)NCC2 962920377 RWOHGMHSEYVIPF-XHBSWPGZSA-N 277.412 2.545 0 1 CFAF CN(C)C[C@H]1C[C@@H]2c3cccnc3Cc3ccccc3N2O1 13819842 VPZDYZMLWKUTOB-RDTXWAMCSA-N 295.386 2.799 0 1 CFAF CN1CC[C@@H](C(=O)c2cncc(-c3cccc(F)c3)c2)C1=O 205750730 KDMAXLPRWBEKGY-HNNXBMFYSA-N 298.317 2.549 0 1 CFAF OC1(c2ccc(F)cc2)CCN(Cc2cccnc2)CC1 4924684 VOBOMVFWMDLLDR-UHFFFAOYSA-N 286.350 2.704 0 3 CFAF CNC1=NS(=O)(=O)C(c2ccc(C(C)C)cc2)=C1C 20901073 FLGPUWAUMRTGCU-UHFFFAOYSA-N 278.377 2.502 0 1 CFAF O=C(C[C@@H](Cc1ccccc1)C(=O)O)c1ccccn1 27655416 CMLBSGJSHMTJDD-CYBMUJFWSA-N 269.300 2.598 0 1 CFAF Cc1cc(=O)n(C(=O)/C=C/c2ccc(Cl)cc2)o1 103291194 FULPJSURHVRELN-QPJJXVBHSA-N 263.680 2.757 0 1 CFAF CO[C@@H]1O[C@@]23C=CC[C@H](C)[C@@]2(C)[C@@H](C(=O)CC3)[C@H]1C 2356751437 FVTXNULUHYXYOE-MLAMDLQDSA-N 264.365 2.945 0 1 CFAF O=C1c2ccc(NCCO)cc2-c2nccc3cccc1c23 73311222 RTMFWOSACWVCPW-UHFFFAOYSA-N 290.322 2.850 0 1 CFAF C[n+]1ccccc1C(=O)NCc1ccc(Cl)cc1Cl 1911578457 CUYBBSXEKVFITQ-UHFFFAOYSA-O 296.177 2.748 0 1 CFAF CCOC(=O)[C@@H]1CCC(c2ccc(C)c(C)c2)=NO1 40901016 OGGRAJOWEXFXRN-AWEZNQCLSA-N 261.321 2.750 0 1 CFAF CCCN[C@@H](C)C(=O)Nc1nsc2ccc(C)cc12 40980951 QEERGCUOBGEFLW-JTQLQIEISA-N 277.393 2.931 0 1 CFAF Cc1cn(CCCN2Cc3ccccc3NC2=S)cn1 45299466 ZIBBFMLJCXQTQU-UHFFFAOYSA-N 286.404 2.794 0 1 CFAF CN(Cc1ccccc1)C[C@H](O)C[C@H](O)c1ccccc1 95785085 VBJQDHGYODLBBC-MSOLQXFVSA-N 285.387 2.603 0 1 CFAF CN1C(=O)CC[C@@H]2[C@@H]3CC[C@@]4(C)[C@@H](O)CC[C@@H]4[C@@H]3CC[C@H]21 253635767 SQCYNKYOQAZHHL-OYEFGHBDSA-N 291.435 2.821 0 1 CFAF Fc1cnc(Cl)c2[nH]c(C3CC4(COC4)C3)nc12 586918101 WKFZJAZAHQXDFP-UHFFFAOYSA-N 267.691 2.644 0 1 CFAF Clc1cc(Cl)c2[nH]c(CC3OCCO3)nc2c1 586907272 FIYXQGRGNJKLMH-UHFFFAOYSA-N 273.119 2.785 0 1 CFAF CC(C)[C@@](C)(O)c1nc2cc(Br)cnc2[nH]1 586885300 AVGINVNHISCPNH-LLVKDONJSA-N 284.157 2.584 0 1 CFAF COc1ccc(-c2nc3c(N)ccnc3[nH]2)c(OC)c1C 587787772 OTHCQWKLDGIKMM-UHFFFAOYSA-N 284.319 2.533 0 1 CFAF CCCC1(c2nc3ccc(C(=O)OC)nc3[nH]2)CCC1 586877836 RONLVAJUVRPACC-UHFFFAOYSA-N 273.336 2.966 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cn1nc(C)cc1C)O2 587391942 PJYBXGKHUAPJEX-KRWDZBQOSA-N 299.374 2.815 0 1 CFAF COc1cc2c3c(c1)O[C@H](C1(OC)CCCC1)[C@@H](C2)C3=O 587443571 RGQAPIURCZCQRJ-LRDDRELGSA-N 288.343 2.770 0 1 CFAF O=C1CCc2cc3nc(C(F)(F)C(F)F)[nH]c3cc2N1 587089288 OYATXAJCCFOQPP-UHFFFAOYSA-N 287.216 2.805 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)C[C@H](C)[C@@H]1C 587404586 FZMTYWAAPILGOI-XQJJYNOISA-N 273.332 2.526 0 1 CFAF CCc1cccc(NC(=O)Cn2cc3c(n2)CCCC3)c1 5147201 CHJNCZYLHWDNOQ-UHFFFAOYSA-N 283.375 2.963 0 3 CFAF N=C(S)N1CCC(c2cccc(C(F)(F)F)c2)=N1 13474229 WRVJWKMENPNFGN-UHFFFAOYSA-N 273.283 2.980 0 1 CFAF O=C1Nc2ncc(-c3cccnc3)cc2/C1=C/c1ccc[nH]1 13538918 MUTKMUVSZWBVRD-NVNXTCNLSA-N 288.310 2.964 0 1 CFAF Nc1ncnc2ncc(-c3cccc(Cl)c3)cc12 169341875 KCFFGXRHAQVVCM-UHFFFAOYSA-N 256.696 2.927 0 1 CFAF CN(C)C[C@H]1CCCN1C12CC3CC(CC(C3)C1)C2 26991188 CPLZORFTTIXMJP-YYUOFMGYSA-N 262.441 2.981 0 1 CFAF CC(C)(CO)CCCOCCOCCCC(C)(C)CO 28459718 MGNOFERDBFZQEP-UHFFFAOYSA-N 290.444 2.617 0 1 CFAF COc1ccc(-n2sc3ncc(C)cc3c2=O)cc1 1860705 JWDLSSYXAGGQHA-UHFFFAOYSA-N 272.329 2.764 0 1 CFAF CC(C)C(=O)Nc1ncnc2nc(-c3ccccc3)[nH]c12 58511355 KKDUWFUDTHSVCZ-UHFFFAOYSA-N 281.319 2.614 0 1 CFAF Cc1ccccc1CN1C(=O)CC[C@H]1C(=O)OC(C)(C)C 28708744 RLONFFSCDFOPJV-AWEZNQCLSA-N 289.375 2.828 0 1 CFAF CNc1cc(-c2nc(Cc3ccsc3)no2)ccn1 20999806 LYFZISYGDKGECG-UHFFFAOYSA-N 272.333 2.826 0 1 CFAF CCOC(=O)/C(=C1/SCC[C@H](C)S1)n1ccnc1 26249723 RPJCNJZHRGFORF-QTLFRQQHSA-N 284.406 2.831 0 1 CFAF COc1ccc(Oc2ccccc2Cl)c(=O)[nH]1 29047508 LUNGOIBMOVRHQM-UHFFFAOYSA-N 251.669 2.829 0 1 CFAF Cc1c(C(C)C)c(=O)on1C(=O)N1CCC(C)CC1 26849404 DVYBPRUUGUKTIF-UHFFFAOYSA-N 266.341 2.573 0 1 CFAF Cn1nc(-c2ccc(CN3CCOCC3)o2)c2ccccc21 82155007 SZKHXBCVBQIEEK-UHFFFAOYSA-N 297.358 2.666 0 1 CFAF O=C(O)COc1ccc(NC(=O)c2ccccc2)cc1F 473083260 BHXKCRJKXWJWDK-UHFFFAOYSA-N 289.262 2.541 0 1 CFAF Nc1cc(F)c(-c2nc3cc(F)c(F)c(F)c3[nH]2)cc1N 587137219 UKQORUPRDOABSQ-UHFFFAOYSA-N 296.227 2.951 0 1 CFAF COc1cc(-c2nc3c(C)nccc3[nH]2)cc(OC)c1O 587786737 WJKNEIIGHIZZRK-UHFFFAOYSA-N 285.303 2.656 0 1 CFAF c1ccc2c(c1)OC[C@@H](c1nc3cc4cn[nH]c4cc3[nH]1)O2 586918212 LDHFEZHDSQDQCJ-HNNXBMFYSA-N 292.298 2.952 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCC[C@H]1CCO)O2 587405982 ZPPCILFPPAIOTI-SJCJKPOMSA-N 289.375 2.854 0 1 CFAF FC(F)=C(C[C@@H]1CCCN1)c1nc2c(Cl)ncnc2[nH]1 587088267 KOUCEFVRNDOAAS-LURJTMIESA-N 299.712 2.756 0 1 CFAF Oc1cccc([C@@H](O)c2nc3cnc4ccccc4c3[nH]2)c1 586892520 RJACAQOUTPGHPN-MRXNPFEDSA-N 291.310 2.898 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)CC[C@H]3c1ccc(F)cc1 587369340 GGBYAELYPVXYFS-JTQLQIEISA-N 297.289 2.653 0 1 CFAF Cc1cccc(NC(=O)Cc2nc3cnccc3[nH]2)c1C 587239003 KUBUHUBRFIXJCS-UHFFFAOYSA-N 280.331 2.756 0 1 CFAF Cc1cccc2nc(C(C)(C)SCC(=O)O)[nH]c12 586959386 MTVCIWDMZLVMTH-UHFFFAOYSA-N 264.350 2.924 0 1 CFAF CC(=O)NC1(c2nc3cc(C)cnc3[nH]2)CCC(C)CC1 587234106 FZWWYHGISQCXQO-UHFFFAOYSA-N 286.379 2.808 0 1 CFAF N[C@@H](N=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 957950705 RMWXMWZLJNAQHE-ZDUSSCGKSA-N 252.277 2.954 0 1 CFAF CN(C)c1ccc2c(c1)SC(=S)N1CCCN=C21 1857613253 UUFSKZQZJPVOEO-UHFFFAOYSA-N 277.418 2.596 0 1 CFAF Cc1cc2c(cc1F)[C@H](c1cn3c(n1)CCCC3)NCC2 962376670 QCTONVPYUABXLS-QGZVFWFLSA-N 285.366 2.902 0 1 CFAF O=c1cc(OCc2cccc(Cl)c2)nc2n1CCCC2 1772580400 FITAZUAQYYAUHZ-UHFFFAOYSA-N 290.750 2.812 0 1 CFAF CCN1c2ccc(OC)cc2N(C)C(=O)c2cccnc21 5842815 QQULSLIIVMJFBM-UHFFFAOYSA-N 283.331 2.838 0 1 CFAF COc1ccc(Oc2cccc3nc(N)nc(N)c23)cc1 12502021 CPZJZAIZIMCJRC-UHFFFAOYSA-N 282.303 2.595 0 1 CFAF in-vivo CCc1ccccc1-c1cc(C(=O)OC)c2n(c1=O)CCC2 203461197 GMSLKODZENUNPB-UHFFFAOYSA-N 297.354 2.811 0 3 CFAF CNC(=O)N(C)[C@@H]1c2ccccc2Oc2ncccc21 28006504 XTIPAMBJDGPXID-CYBMUJFWSA-N 269.304 2.548 0 1 CFAF Cc1noc(CCCc2ccc3[nH]cc(CCN)c3c2)n1 14699 FZVHHUSZLLUIQC-UHFFFAOYSA-N 284.363 2.536 0 1 CFAF CCc1nc2nc(C)cc(Nc3ccc(OC)cc3)n2n1 6786397 HANSGTGIFJTKJD-UHFFFAOYSA-N 283.335 2.747 0 1 CFAF Nc1ccc2oc(-c3ccccc3F)c(O)c(=O)c2c1 58563865 INHPFLRHGMESQE-UHFFFAOYSA-N 271.247 2.887 0 1 CFAF C[C@@H]1O[C@@H](c2ccccc2)OC[C@H]1NC(=O)c1ccccc1 28826414 PVDCCKRWIUPZAF-XCRHUMRWSA-N 297.354 2.919 0 1 CFAF CN(C)Cc1cc2c([nH]c(=O)c3cccc(O)c32)s1 68267124 NNRFUSBXQVBAEO-UHFFFAOYSA-N 274.345 2.510 0 1 CFAF in-vivo O=C1CC[C@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N1 28085997 FTQANZLJVGKRIL-MRXNPFEDSA-N 279.339 2.949 0 1 CFAF CC1=CC[C@H](O)C(C)=C[C@@H]2OC(=O)[C@H](C)[C@H]2CC1 2356545897 RLHPCSSGTQNSJN-MQYQWHSLSA-N 250.338 2.602 0 1 CFAF C=CC1=C([C@H]2COC(=O)[C@@H]2CC(=O)O)CC(C)(C)C1 2356862969 VCZFVDKNJCQIKO-PWSUYJOCSA-N 264.321 2.553 0 1 CFAF O=c1cc(O)n(-c2ccc(F)cc2)n1-c1ccc(F)cc1 35050352 RITXLUDTPBXUKU-UHFFFAOYSA-N 288.253 2.612 0 1 CFAF COc1ccc(OC)c(-c2nnc(N3CCCC3)s2)c1 299861535 IKIVEBBHIREMCA-UHFFFAOYSA-N 291.376 2.823 0 1 CFAF CCn1ncnc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587517943 XMXUBMOPNOZIGP-OAHLLOKOSA-N 297.358 2.883 0 1 CFAF Cc1ccnc2nc(-c3cccc(OCC(F)F)n3)[nH]c12 587130817 XDESPRIQLZGXID-UHFFFAOYSA-N 290.273 2.972 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3ncncc31)O2 587394221 DVUUIYDHAGCXFP-QGZVFWFLSA-N 295.342 2.564 0 1 CFAF CCCNC(=S)c1c(C)nn(-c2ccccc2)c1O 1857656935 RJYBCPXBRFNUPL-UHFFFAOYSA-N 275.377 2.561 0 1 CFAF O=C1OC(=C(Br)Br)[C@H]2CCC[C@@H]12 1857760764 HWEHMLZFXACQFH-CRCLSJGQSA-N 295.958 2.918 0 1 CFAF COC(=O)[C@@H](c1cccc(Cl)c1)[C@@H]1CCCCN1 13747211 QFEWAERCGCLJNU-STQMWFEESA-N 267.756 2.739 0 1 CFAF COC(=O)[C@@H](c1ccccc1Cl)[C@H]1CCCCN1 13747253 PIXHGSMGPNTYSH-OLZOCXBDSA-N 267.756 2.739 0 1 CFAF COc1ccc(CCc2cc(O)cc(O)c2)cc1OC 13340235 LZTYRLRAXVFWAR-UHFFFAOYSA-N 274.316 2.900 0 1 CFAF Oc1c(-c2ccccc2)nnc2nc3ccccc3n12 13675599 FAHYFNIQRUEYFR-UHFFFAOYSA-N 262.272 2.650 0 1 CFAF C/C1=C/C[C@H](O)[C@@H](C)C[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 14453719 LAOQYXNUSDEVJK-AUEJUDPNSA-N 252.354 2.681 0 1 CFAF in-man CCn1c2occc2c(=O)c2ccc(OC)c(OC)c21 15222601 XZUFTTIASQVRFE-UHFFFAOYSA-N 273.288 2.785 0 1 CFAF c1cc([C@H]2CNCCO2)ccc1Nc1ccn(CC2CC2)n1 150018955 VPAGDHSOFZOAFL-MRXNPFEDSA-N 298.390 2.698 0 1 CFAF O=C1NCC2=Nc3ccccc3N[C@H](c3ccccc3)[C@@H]12 169691746 KCLKPPOQKQRKOU-JKSUJKDBSA-N 277.327 2.672 0 1 CFAF C[C@H]1CC(=O)C[C@]23CCN(C)[C@@H](Cc4ccc(O)cc42)[C@H]13 100802245 QTMXUFYDRJEECW-ATEKPKPVSA-N 285.387 2.505 0 1 CFAF Cc1ccccc1-c1cc2nc(C)c(Cl)c(=O)n2[nH]1 103895999 RGLIAMIESXRJBF-UHFFFAOYSA-N 273.723 2.960 0 3 CFAF O=c1cc(C(F)(F)F)c2cc(F)c(O)c(F)c2o1 26836166 IXFADYJVVZVZPY-UHFFFAOYSA-N 266.121 2.796 0 1 CFAF N=C(N)Nc1nnc(-c2cccc(C(F)(F)F)c2)s1 28005085 LUZHLXRTQLNELN-UHFFFAOYSA-N 287.270 2.529 0 1 CFAF O=C(OC1C[C@@H]2CC[C@@H](C1)N2)c1c[nH]c2ccccc12 101509816 LCAGVMWMARLFPS-QWRGUYRKSA-N 270.332 2.608 0 1 CFAF Oc1ccc(C2=c3ccc4n3[C@H]3C(=CC=4)CCCC[C@@H]23)cc1 26472305 XSLAYQRDXPIQLV-PXNSSMCTSA-N 289.378 2.858 0 1 CFAF Cc1cccc2c1C(=O)[C@]1(O)CCN(c3ccccc3)C1=N2 24970237 NJBBBRZNBVLTRZ-GOSISDBHSA-N 292.338 2.863 0 1 CFAF in-vivo OC[C@H](c1ccccc1)N1CCC(O)(c2ccccc2)CC1 28708132 WYCQQHODYWNXIA-GOSISDBHSA-N 297.398 2.704 0 1 CFAF O=C1c2cccc3cc4c(c(c23)[C@]12C=C[C@H](O)CC2)OCO4 2356471801 ZLVIXJUPJFVQEA-BBATYDOGSA-N 294.306 2.714 0 1 CFAF CC(C)=CCc1ccc(O)c2c1[C@H](C[C@H](O)[C@H](C)O)OC2 2356475610 JUJNVXXKTUEQPG-UVBJJODRSA-N 292.375 2.604 0 1 CFAF C[C@H](C(=O)O)[C@H]1CC[C@@H](C)[C@@H]2CCC(CO)=C[C@H]12 2356632328 JTUOWRWJSXCKMC-AMUSXGDXSA-N 252.354 2.698 0 1 CFAF COc1nc2nc(C)cc(Nc3cccc(Cl)c3)n2n1 73312920 YRLOKJUHNQLESD-UHFFFAOYSA-N 289.726 2.838 0 1 CFAF CCOC(=O)N(Cc1ccccc1SC)[C@H]1CCNC1 40979538 OXYQNDFARIFPMG-ZDUSSCGKSA-N 294.420 2.729 0 1 CFAF C[C@]1(CO)[C@H]2C[C@@H]3CN(C(=O)c4ccccc4)[C@@H](C2)[C@]31C 195497880 CTNCSHKEEQKIDX-CRCOGDFISA-N 285.387 2.556 0 1 CFAF CCCC(=O)c1c(C)c(CCC(=O)O)n(C)c1C 82157984 SSHYJBUBCNUGKP-UHFFFAOYSA-N 251.326 2.642 0 1 CFAF COc1cccc2c1[C@@]13CCN(C)[C@H](C2)[C@H]1CCC(=O)C3 194971809 IADSKKCDIYLTIM-IIDMSEBBSA-N 285.387 2.562 0 1 CFAF O=C1CCc2cc(Cc3ccncc3)cc3c2N1CC3 95595530 TWPPKKSXNRKDOH-UHFFFAOYSA-N 264.328 2.508 0 1 CFAF Cc1nn(-c2ccccc2)c(S)c1C(=O)c1ccno1 96908508 AZSNZHGERBFBJT-UHFFFAOYSA-N 285.328 2.688 0 1 CFAF O[C@H]1CN(Cc2ccccc2)CCc2ccccc21 653694208 MNEDBWGEAFWGRR-KRWDZBQOSA-N 253.345 2.778 0 1 CFAF NC(=O)Nc1cccc(-c2nc3cc(F)cc(F)c3[nH]2)c1 587242323 QMBRKPSMZNLUSX-UHFFFAOYSA-N 288.257 2.999 0 1 CFAF Cc1cncc2nc([C@@H](C)n3cc(Cl)cn3)[nH]c12 587081523 BMFNJBDNGDYYLB-MRVPVSSYSA-N 261.716 2.726 0 1 CFAF Cc1cnc(Cl)c2[nH]c(C[S@](=O)CC3CC3)nc12 586959781 QKXWYOSTHZAWMQ-GOSISDBHSA-N 283.784 2.578 0 1 CFAF O=C1C[C@@H](c2cc(O)ncn2)Oc2c1ccc1c2CCCC1 587514059 GBGOICZYNGVPKT-HNNXBMFYSA-N 296.326 2.768 0 1 CFAF COc1ccc(-c2nc3nc(Cl)c[nH]c-3n2)c(Cl)n1 587083993 QGQRGKUHGNHTJY-UHFFFAOYSA-N 296.117 2.682 0 1 CFAF Oc1nc(O)c2ccc(-c3cccc4c3CCC4)nc2n1 587562392 ZHTGGEXOORRYJH-UHFFFAOYSA-N 279.299 2.592 0 1 CFAF CC(=O)c1ccc2nc(-c3cccc(CO)c3)[nH]c2c1 586894804 DIECWQSDKNROQG-UHFFFAOYSA-N 266.300 2.925 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nn(C)cc1Cl)O2 587380249 RSNKXELVPGLWHJ-GFCCVEGCSA-N 291.738 2.671 0 1 CFAF CCOCC(=O)n1nc(-c2cccc(F)c2)cc1OCC 587870288 DFYNTLYDQSUKGQ-UHFFFAOYSA-N 292.310 2.765 0 1 CFAF Cc1ccc(/C=C\c2nc3c(N)ncnc3[nH]2)cc1F 587146794 WWZVIVKJBKGOCH-PLNGDYQASA-N 269.283 2.553 0 1 CFAF Cn1cccc1CN1CCc2sccc2[C@H]1c1cn[nH]c1 962369310 CISXFYONIUNLNM-MRXNPFEDSA-N 298.415 2.957 0 1 CFAF CC(=O)c1cc(C(N)=O)n(C/C=C/c2ccccc2)c1 1772572419 ZWENKFFLAIDEEZ-VMPITWQZSA-N 268.316 2.503 0 1 CFAF COc1cc2c(cc1F)[C@@H](c1ccccc1)[C@H](N)C2 13642437 GQOAGPHVKOCWGH-GDBMZVCRSA-N 257.308 2.850 0 1 CFAF Clc1cc(Cl)c2c(c1)CC[C@]1(CN=CN1)C2 13743717 BQSQJWDWZJUFIP-GFCCVEGCSA-N 255.148 2.852 0 1 CFAF COc1ccccc1C(=O)SNC(=O)c1ccccc1 166633137 CYDGVLVDGIAAGO-UHFFFAOYSA-N 287.340 2.914 0 1 CFAF CCCCN/C(C)=C\S(=O)(=O)c1ccccc1 5127622 BVEYGSKVKHNRPK-QXMHVHEDSA-N 253.367 2.711 0 1 CFAF CCCC(=O)NCC[C@H]1CCc2cc3c(cc21)OCC3 13491270 JKKDRHOHRSUUCA-GFCCVEGCSA-N 273.376 2.958 0 1 CFAF Cc1ccc(-c2nc3cc(C(=N)N)ccc3[nH]2)c(O)c1 13863695 MJALKSPFTYWAAL-UHFFFAOYSA-N 266.304 2.528 0 1 CFAF C[C@@]12CCCCS[C@@H](Cc3ccc(O)cc31)[C@@H]2N 4631296 JMUFDGSVPLYBAQ-SOUVJXGZSA-N 263.406 2.819 0 1 CFAF CSc1ncc(C(=O)NC2CCCCCC2)c(C)n1 6937896 IINXLCWRFQCXAS-UHFFFAOYSA-N 279.409 2.960 0 1 CFAF Nc1ncnc2c1N=C(c1ccc(Cl)cc1)CCN2 29049570 QPRJVVDEDTZBFD-UHFFFAOYSA-N 273.727 2.649 0 1 CFAF O[C@H]1c2ccc(Cl)cc2S[C@H]1Cn1ccnc1 27406173 DABDTARKKXUQAO-RYUDHWBXSA-N 266.753 2.744 0 1 CFAF CCCCC[C@H](O)[C@H](O)C=Cc1cccc(O)c1C=O 2356449111 AZOKWZGGQMSBFD-JKSUJKDBSA-N 278.348 2.520 0 1 CFAF COc1cc2[nH]c3c(c(=O)c2cc1C)CSCC3 72110786 RFNJIGOSHKDQHY-UHFFFAOYSA-N 261.346 2.634 0 1 CFAF CCCN1C(=O)COCc2ccc(Br)cc21 74375334 UPZINFDUEMDNQJ-UHFFFAOYSA-N 284.153 2.722 0 3 CFAF COCCCNc1nccc2c1ncn2Cc1ccccc1 74386595 FLIVSTLJGCEVSS-UHFFFAOYSA-N 296.374 2.928 0 1 CFAF Cc1cc(=O)n2[nH]cc(-c3ccc(Cl)cc3)c2n1 136379867 BBVYTPDJKBELJW-UHFFFAOYSA-N 259.696 2.651 0 1 CFAF O=C1CN2O[C@@]2(c2ccccc2)c2cc(Cl)ccc2N1 40979918 UXZCEAOLZZBKGQ-BUSXIPJBSA-N 286.718 2.740 0 1 CFAF CC1(C)Cc2n[nH]c(=O)c3cc(F)cc4[nH]c(c2c43)C1 146684382 MHQFEYXRRZRKBA-UHFFFAOYSA-N 271.295 2.668 0 1 CFAF CCN(CC)CCOc1cc2oc(=O)ccc2cc1OC 95587105 PITZTJMRXGGMPN-UHFFFAOYSA-N 291.347 2.522 0 1 CFAF CN(C)c1ccc(-c2nc3c(F)cccc3[nH]2)nc1 587194531 IFBDYZTZWDSSET-UHFFFAOYSA-N 256.284 2.830 0 1 CFAF Nc1cccc(-c2nc3ccc(F)c(F)c3[nH]2)c1C(=O)O 587248252 JSDGOSZSAVFOCY-UHFFFAOYSA-N 289.241 2.789 0 1 CFAF CCCc1c(O)ccc2c1O[C@@]1(CCO[C@H]1C)CC2=O 587493708 VCWSOWLVSSUIKP-QFYYESIMSA-N 276.332 2.858 0 1 CFAF O=C(O)[C@H]1CCc2nc3cccc4c3c(c2CC1)CC4 587215437 NYJFZIDKMQSTEF-LLVKDONJSA-N 267.328 2.913 0 1 CFAF COc1cccc(CCc2nc3ccc(CCO)cc3[nH]2)c1 587930038 CPICPVAKWOYMSD-UHFFFAOYSA-N 296.370 2.892 0 1 CFAF CCO[C@H]1CCC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587403225 LEPQQLWDQLXBIE-GOEBONIOSA-N 275.348 2.870 0 1 CFAF COc1cccc(Cc2nc3cc4c(cc3[nH]2)OCO4)c1 587930156 DSNLTHUWJDMQST-UHFFFAOYSA-N 282.299 2.891 0 1 CFAF CCCN1[C@H](C)Cc2ccccc2[C@]12CC(=O)N[C@@H](C)C2 963231436 RAJHFEAUTZITEW-IYOUNJFTSA-N 286.419 2.837 0 1 CFAF CC[C@@H]1C[N@@]1[P@](=O)(c1ccccc1)[N@@]1C[C@H]1CC 1857623022 KAEOCOTWIGBXJT-JCGSYMEFSA-N 264.309 2.693 0 1 CFAF CC(C)(C)CO[C@@H]1OC(=O)C(Cl)=C1N1CCCCC1 1857768684 QSWVLCXTPXEUBE-CYBMUJFWSA-N 287.787 2.868 0 1 CFAF CCN1c2nc(C)c(C)cc2NC(=O)c2cccnc21 5842099 UDYVQHNUUVSPGO-UHFFFAOYSA-N 268.320 2.817 0 1 CFAF NC[C@@H]1O[C@H](c2ccccc2)Cc2c(O)cccc21 13824662 UYGVYUSBNCJHOS-HOTGVXAUSA-N 255.317 2.706 0 1 CFAF CCC[C@@H](O)C[C@@H]1CC=C[C@@H](CC(=O)CC)N1C 14444796 YXZGFTYVZJDUDK-KCQAQPDRSA-N 253.386 2.536 0 1 CFAF OCc1ccc2c(c1)CCc1cccc(CO)c1N2 169330453 UOFARAAMPFGILH-UHFFFAOYSA-N 255.317 2.513 0 1 CFAF CC(=O)N1CCc2cc(-c3cncc([C@@H](C)O)c3)ccc21 169348880 LYJHVNQTZSAXBH-LLVKDONJSA-N 282.343 2.711 0 1 CFAF O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1COc2ncccc21 205628399 YQAIIZWOJNOYFT-HZPDHXFCSA-N 294.354 2.751 0 1 CFAF CN(C)CCNC(=O)c1cccc2c1Nc1ccccc1O2 5140446 VCQVKFPYRYCJQL-UHFFFAOYSA-N 297.358 2.827 0 1 CFAF Cc1sc2ncn3nnnc3c2c1-c1ccc(F)cc1 79642 BVQVKRIFZHUMDV-UHFFFAOYSA-N 285.307 2.849 0 1 CFAF CC1=CC2=c3ccccc3=N[C@H](c3ccccc3Cl)N2N1 104045794 KMXZRIBOUIKINU-KRWDZBQOSA-N 295.773 2.504 0 3 CFAF OC1=C(c2cccnc2)C2=NCCN2C2=C1CCC2 26265279 SWUVGLZWZZGDFJ-UHFFFAOYSA-N 253.305 2.516 0 1 CFAF OC1=C(c2ccccn2)C2=NCCN2C2=C1CCC2 26271085 TYCOEZIBWBMVLB-UHFFFAOYSA-N 253.305 2.516 0 1 CFAF COc1ccc(-c2csc([C@@H](O)c3cccnc3)n2)cn1 61905511 ZAKAQJUMGYVUOW-AWEZNQCLSA-N 299.355 2.690 0 3 CFAF O=C(Nc1ccc([C@@H]2CCNC2)cc1)N1CCCCC1 117720931 ASAQMEBUNMNALF-CQSZACIVSA-N 273.380 2.781 0 1 CFAF Cc1noc(C)c1-c1ccc2c(c1)[C@](O)(C1CCC1)C(=O)N2 219520829 VCVISLDBEJTJHW-QGZVFWFLSA-N 298.342 2.898 0 1 CFAF O=Cc1c(O)ccc2c1O[C@H]1c3ccc(O)cc3OC[C@@H]21 49032015 FJZRCLCBDONNNU-LRDDRELGSA-N 284.267 2.520 0 1 CFAF CC[C@@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3 195144266 POIANFSUDFGZHE-QVYRZPTDSA-N 280.364 2.853 0 1 CFAF CNC1=C(c2ccccc2)[C@@H](c2ccccc2)OC1=O 40394121 IOKJBAVMUSSKPY-MRXNPFEDSA-N 265.312 2.915 0 1 CFAF O=S1(=O)CCc2ccc(OCc3ccccc3)cc2O1 96914362 PEEJNSCCZQCMIN-UHFFFAOYSA-N 290.340 2.530 0 1 CFAF C/C=C(/C(=O)OCC)[C@H](O)c1ccccc1Cl 299839547 SLJQEDCPKMZFCM-KBNZMGLGSA-N 254.713 2.883 0 1 CFAF O=c1cc(-c2ccccc2)[nH]c2c(-c3ccccn3)cnn12 653675516 OLRHSHMICQZHQV-UHFFFAOYSA-N 288.310 2.752 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3cccnc31)O2 587393858 APHYSGVBWIGDBC-KRWDZBQOSA-N 296.326 2.615 0 1 CFAF CC(C)Oc1ccc2nc(-c3c[nH]ccc3=N)[nH]c2c1 587249980 VJJXVALKVFPQPR-UHFFFAOYSA-N 268.320 2.825 0 1 CFAF CC(C)=CCC/C(C)=C/c1nc2c(O)nc(O)nc2[nH]1 587967230 IWGSLUOHGLCFMF-VQHVLOKHSA-N 274.324 2.914 0 1 CFAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(=N)[nH]cc2[nH]1 587930704 PEZXDASGIRTHAM-APPDUMDISA-N 294.358 2.824 0 1 CFAF COc1ccc2nc(-c3c(F)ccc(F)c3OC)[nH]c2n1 587132388 DSMAJBOQFHHQIV-UHFFFAOYSA-N 291.257 2.920 0 1 CFAF Cn1cc([C@]2(C)c3c(F)cccc3C[C@H]3CCCN32)cn1 963099284 HBXIRJMKDLARSH-RHSMWYFYSA-N 285.366 2.843 0 1 CFAF CC[C@@]1(c2ccc[nH]2)NCCc2c1c(C(C)C)nn2C 962923194 YOWQBIAUYBQEIT-INIZCTEOSA-N 272.396 2.671 0 1 CFAF Cc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2=O)c1 13153815 HQFQBZPCZUXJHZ-HSTIPLNKSA-N 267.328 2.697 0 1 CFAF O=C(c1ccc(O)cc1)c1cncc(-c2ccc(O)cc2)n1 13378887 LHUSZTDRQIRIGF-UHFFFAOYSA-N 292.294 2.786 0 1 CFAF NC[C@@H]1C[C@H]2c3ccccc3Cc3ccccc3N2O1 13436898 YRZFLXOYFQEHFH-YOEHRIQHSA-N 266.344 2.801 0 1 CFAF CC(=O)Nc1cccc2c1C(=O)c1c(-c3ccco3)n[nH]c1-2 13492186 BKBMCXQGDDORJV-UHFFFAOYSA-N 293.282 2.840 0 1 CFAF CC(C)Sc1sc(-c2cc[nH]n2)c2c1C(=O)NCC2 168501707 KHXZLKMAGLKSMZ-UHFFFAOYSA-N 293.417 2.925 0 1 CFAF CC(=O)NCCc1coc2ccc3c(c12)C=CCO3 13781848 QRGDWAPUDNRZRI-UHFFFAOYSA-N 257.289 2.517 0 1 CFAF OC(c1ccco1)(c1ccco1)[C@H]1CC2CCN1CC2 29544609 MNBVYCWQRSWSND-CYBMUJFWSA-N 273.332 2.593 0 1 CFAF c1ccc(CNCC2OCc3ccccc3CO2)cc1 174307 UVNQGXQXHVHSKT-UHFFFAOYSA-N 269.344 2.849 0 1 CFAF Cc1ccc([C@H]2N(c3nccs3)C(=O)[C@H]3CCCN32)cc1 58047186 KJCFWXMQZBNJJD-ZIAGYGMSSA-N 299.399 2.961 0 3 CFAF CN(C)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)O 26947025 LYQOGCWCHQTUIS-ZGUYJTEBSA-N 293.366 2.908 0 1 CFAF CCC(=O)N(c1ccccc1)[C@@H]1CCC[C@H]1N(C)C 28236428 NFXVAHYPHHWBBD-HUUCEWRRSA-N 260.381 2.912 0 1 CFAF O=C(c1cccc(Cl)c1)c1ccc2n1CC[C@@H]2C(=O)O 25997029 QBMAHFSKIZFSGO-NSHDSACASA-N 289.718 2.944 0 1 CFAF C[C@@H]1CC[C@@]2(C)C(C)(C)[C@H]3C[C@@]12[C@H](O)C=C3C(=O)O 2356752757 OHVOURKKOMEQPG-ZSTJQVGBSA-N 264.365 2.841 0 1 CFAF N=C(N)c1ccc(-c2nc3ccc(C(=N)N)cc3s2)cc1 45366757 KTWUYOLBRZOMHU-UHFFFAOYSA-N 295.371 2.531 0 1 CFAF O=C(c1ncn2c1Cn1nccc1-c1ccccc1-2)C1CC1 45245415 BQWZDXNKDYRCJK-UHFFFAOYSA-N 290.326 2.690 0 1 CFAF COC[C@@H](C)Nc1cc(-c2ccc(F)cc2F)ncn1 82160570 JUKXOZZRHUKVIG-SECBINFHSA-N 279.290 2.869 0 1 CFAF C[C@@H](O)C[C@@H]1C=CC[C@@H](C[C@H](O)c2ccccc2)N1C 140207990 OLFGPECRQXQUAG-IWCQGFGOSA-N 275.392 2.510 0 1 CFAF CC(=O)OC(C)(C)[C@@H]1CC[C@H]2CO[C@]3(C)C=CO[C@]23C1 238776048 RYBNUNCKOSXXIO-OCVGTWLNSA-N 280.364 2.816 0 1 CFAF C[C@@H](O)C[C@@H](C)CNCc1cccc(OC(C)(C)C)n1 261103801 HANZWZYWTAIZOE-CHWSQXEVSA-N 280.412 2.756 0 1 CFAF N=c1nc2nc(-c3ccc(C4CCC4)cc3)[nH]c2c[nH]1 586881930 XNSZEKLLJFLSLZ-UHFFFAOYSA-N 265.320 2.700 0 1 CFAF Oc1ccc(-c2nc3nc(Cl)c[nH]c-3n2)c(Cl)c1 587056165 ZMDGKWJJWNJWHW-UHFFFAOYSA-N 281.102 2.984 0 1 CFAF Cc1ncsc1CCc1nc2nc(Cl)c[nH]c-2n1 587027656 ZDQKKWZSJLLLAQ-UHFFFAOYSA-N 279.756 2.508 0 1 CFAF COC(=O)c1ccc2nc(-c3cccc(CO)c3)[nH]c2c1 586895139 QOBMSDHPRJAFDM-UHFFFAOYSA-N 282.299 2.509 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cnn1C)O2 587377410 HXODVBAQAYVAGA-LBPRGKRZSA-N 291.738 2.671 0 1 CFAF C[C@@]12CC[C@H]3C[C@]1(C(=O)Nc1nccs1)OC[C@]32C 13133627 BTWJITAQMDZBHX-GSVCSZOMSA-N 278.377 2.677 0 1 CFAF COc1ccc([C@@H](O)Cc2cccc(OC)c2O)cc1 13340840 ZWMBMAHFTDLBAW-AWEZNQCLSA-N 274.316 2.686 0 1 CFAF COc1ccc(/C=C/c2ncnc3[nH]cnc23)cc1 13836898 SHZBOEXPWIEQKB-QPJJXVBHSA-N 252.277 2.532 0 1 CFAF CC(=O)Oc1ccc(Cn2cnc(F)c2)c2cccnc12 1857569073 DRKSMDCXYZRRGL-UHFFFAOYSA-N 285.278 2.544 0 1 CFAF N=c1ccc(-c2cccc(Cl)c2)nn1CCCC(=O)O 1857617340 CZOLGBCMSOYNAI-UHFFFAOYSA-N 291.738 2.548 0 1 CFAF O=C1c2ccccc2[C@]2(c3ccccc3)OCCCN12 6582305 YZKPHSSFGMOHEY-KRWDZBQOSA-N 265.312 2.764 0 1 CFAF O=C(c1ccccc1)c1cc(F)cc2c1OC[C@H]2C(=O)O 28002154 GQJXAPTWDCTBLF-CYBMUJFWSA-N 286.258 2.617 0 1 CFAF CCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O 28475309 ODBRXBIBFOZAFT-UHFFFAOYSA-N 284.363 2.500 0 1 CFAF COc1cc(C2=C[C@H]3CNC[C@H](C2)C3)cnc1Cl 101577039 IMWUFTIDVKJBTJ-UWVGGRQHSA-N 264.756 2.756 0 1 CFAF O=C(O)C(=O)CC(=O)c1ccc(-c2ccccc2)s1 28350388 XSLFZSIDTMHATR-UHFFFAOYSA-N 274.297 2.642 0 1 CFAF CCCCCC[C@]1(c2ccc(N)cc2)CCC(=O)NC1=O 28767435 VWJXCBZWAWHJLE-QGZVFWFLSA-N 288.391 2.914 0 1 CFAF in-vivo Cn1nccc1-c1cccc2c1CC[C@@H]2c1ncc[nH]1 29048227 FYRLXCDBIMGTKV-AWEZNQCLSA-N 264.332 2.888 0 1 CFAF O=C(C=Cc1ccccc1)OC1C[C@@H]2CC[C@H](C1)N2 2356589713 PTRNNLVBSHIELL-YIONKMFJSA-N 257.333 2.526 0 1 CFAF N=C(N)Nc1ccc(NC(=O)Nc2ccccc2)cc1 29133626 OZNDYHYHMDIJLS-UHFFFAOYSA-N 269.308 2.636 0 1 CFAF CC1=C2CC[C@](C)(O)[C@H]2CC2=C(C)C(=O)O[C@@]2(C)C1 2356756375 XFKBZIHXTPWMQJ-BPUTZDHNSA-N 262.349 2.890 0 1 CFAF O=C(Nc1ccccc1)C(=O)c1c[nH]c2ccc(O)cc12 64560865 VRIUKGXXNWBXMK-UHFFFAOYSA-N 280.283 2.695 0 1 CFAF Cc1cc2cc(I)ccc2oc1=O 34986033 BFLNDZDGFIJKQP-UHFFFAOYSA-N 286.068 2.706 0 1 CFAF COc1ccc(-n2nc(-c3ccccc3)cc2O)nc1 1911570709 SCDLQGBPCHRCBC-UHFFFAOYSA-N 267.288 2.649 0 1 CFAF Fc1cccc(Oc2cc(NC[C@H]3CCCO3)ncn2)c1 82067836 QVXKQHSHZRFDSK-CYBMUJFWSA-N 289.310 2.999 0 1 CFAF CCO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1ccccc1 617980137 XSBHAZNCNNQLCO-KLDSGFLGSA-N 276.361 2.883 0 1 CFAF O[C@H](c1nc2c(Cl)ncnc2[nH]1)c1ccccc1Cl 587059469 QXWCYKAHABJSTF-VIFPVBQESA-N 295.129 2.741 0 1 CFAF O=c1ccc2cc(-c3nc4ccncc4[nH]3)ccc2o1 586918791 UZERLPKEINEWDV-UHFFFAOYSA-N 263.256 2.731 0 1 CFAF Oc1cccc([C@H](O)c2nc3cc(F)cc(F)c3[nH]2)c1 586893758 WNJJEKFLEKCUEN-ZDUSSCGKSA-N 276.242 2.628 0 1 CFAF CO[C@@H]1[C@H](C)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1(C)C 587403645 PHHIFBORKYVHMB-FGDXXIHYSA-N 289.375 2.972 0 1 CFAF Nc1ncnc2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc12 587085333 PGQLOGGQKMYRPL-UHFFFAOYSA-N 296.721 2.804 0 1 CFAF COC(=O)c1cccc2nc(C(C)(C)CSC)[nH]c12 586969553 VATSIQHKCRKZIU-UHFFFAOYSA-N 278.377 2.990 0 1 CFAF c1ncc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2n1 586892072 TWDJTXZJPJAYNW-KIGUWFBYSA-N 254.337 2.821 0 1 CFAF C[C@H]1CN(c2cccc(-c3cccs3)c2)NC(=O)N1 13759113 FRNKZRMOLFLNRD-JTQLQIEISA-N 273.361 2.838 0 1 CFAF O=C(CCc1cccc2c1[C@@H](O)OC2)Nc1ccccc1 1857567027 BJJMPQRAKZCGSE-KRWDZBQOSA-N 283.327 2.779 0 1 CFAF O=C(NC1CCCC1)[C@H](c1ccccc1)N1CCCC1 57776108 JQQLKYOOLAIVDJ-INIZCTEOSA-N 272.392 2.882 0 1 CFAF CC1=Nc2ncnn2[C@@H](c2ccccn2)/C1=C(\O)OC(C)C 101829959 YWSARRPFFSFLNM-REQDGWNSSA-N 299.334 2.563 0 1 CFAF aggregator NC(=O)n1ccc2ccc(-c3ccc(F)cc3)nc21 103236236 NLSRKRGGSDVZJX-UHFFFAOYSA-N 255.252 2.769 0 1 CFAF CCN(CC)c1ccc2c(=O)oc(NC(C)C)nc2c1 27526318 LFVKDSCBYJRJMP-UHFFFAOYSA-N 275.352 2.855 0 1 CFAF CCc1ccc(-n2c(C)nc3ccc(O)nc32)cc1 118271274 WEBGIZGSJSMTSL-UHFFFAOYSA-N 253.305 2.997 0 1 CFAF COC(=O)[C@@H]1[C@H](c2ccccc2)N1Cc1ccccc1 28530586 CWIVVRPOHJFJTG-MZQXSQAVSA-N 267.328 2.785 0 1 CFAF CC(=CCC[C@H](C)CO)c1ccc(CO)cc1O 2356624968 VTYGGZUALSUBPO-NSHDSACASA-N 250.338 2.696 0 1 CFAF COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(F)cc1)O2 36093317 UNNABHWRKRTYKT-YIYPIFLZSA-N 264.296 2.650 0 1 CFAF CC(=O)O[C@@H]1C[C@H]2[C@H](C)C[C@@H]3OC(=O)C(C)=C3[C@H]2C=C1C 70454438 ARFAWNXJYKFWKI-VZSMQBMCSA-N 290.359 2.782 0 1 CFAF biogenic,in-vitro COP(=O)(OC)[C@](C)(CO)N[C@@H](C)c1ccccc1 1857597685 YMIIVIOFEQNNQN-WCQYABFASA-N 287.296 2.532 0 1 CFAF CCCn1cnc2c(NCCc3ccccc3)ncnc21 653795325 BUMUDQZHNDGESK-UHFFFAOYSA-N 281.363 2.891 0 1 CFAF COc1nccc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c12 587136515 JRQPGNLXZFVOSK-UHFFFAOYSA-N 294.236 2.633 0 1 CFAF Oc1nc2cc3nc(-c4occ5c4CCC5)[nH]c3cc2[nH]1 586905525 SFUINGCDLOVATG-UHFFFAOYSA-N 280.287 2.894 0 1 CFAF Cc1cncc2nc([C@@H]3COc4ccccc4O3)[nH]c12 586919026 WICOJUKJXOUWTC-ZDUSSCGKSA-N 267.288 2.779 0 1 CFAF Cc1ccnc(-n2ncc3ccc(Cl)cc3c2=O)c1 587653241 UEALKBGWLXONLF-UHFFFAOYSA-N 271.707 2.743 0 1 CFAF COc1ccc2nc(Cc3csc4nccn34)[nH]c2c1 587041332 YMWAEDVKKYMFDO-UHFFFAOYSA-N 284.344 2.872 0 1 CFAF Cc1ccc2nc(CCc3cccc(O)c3)[nH]c2n1 586896489 RTDBQIOYTKHQGQ-UHFFFAOYSA-N 253.305 2.757 0 1 CFAF CC(=O)N1[C@@H](OC(C)C)C[C@H](C)N1c1ccccc1 5853017 IKYCLWWGLXTHBQ-WFASDCNBSA-N 262.353 2.800 0 1 CFAF CC(C)=CCC[C@](C)(O)[C@H]1Cc2cc(C(N)=O)ccc2N1 13376010 ODYCYXKNGGGAMF-WBVHZDCISA-N 288.391 2.620 0 1 CFAF COc1ccc2c(c1)[C@@]1(C)CC[C@H](O)[C@@](C)(CO)[C@@H]1CC2 13600394 UKQCTYNFHYOXFG-XDNAFOTISA-N 290.403 2.669 0 1 CFAF CCN1CCN(c2nc3ccccc3n3cccc23)CC1 13766160 ANIMYDRBCOMVDQ-UHFFFAOYSA-N 280.375 2.629 0 1 CFAF O=c1oc(NCc2ccsc2)nc2ccccc12 13779181 VWRQBDKIKQPOSG-UHFFFAOYSA-N 258.302 2.862 0 1 CFAF CC[C@H](N)COc1cnc(Cl)c(Br)c1 13819725 CXEUBSNEAOCFSJ-LURJTMIESA-N 279.565 2.614 0 1 CFAF NCCSc1ncnc2c1sc1ccccc12 2548792 ZWECSXVMDUNVGP-UHFFFAOYSA-N 261.375 2.895 0 1 CFAF COC(=O)[C@H]1[C@@H](Cc2ccccc2)C[C@@H]2CC[C@H]1N2C 4424944 YHWZJYKIOUHJGH-JONQDZQNSA-N 273.376 2.501 0 1 CFAF C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)Sc1nncs1 7735937 BOGLQABICGZLGB-IVZWLZJFSA-N 285.438 2.714 0 1 CFAF CN1[C@@H]2CC[C@@H]1CC(N1CCN(c3ccccc3)C1=O)C2 100797950 BWPHGULCYNWJMW-HUUCEWRRSA-N 285.391 2.554 0 1 CFAF O=C1c2ccccc2-c2oc(=O)c3cc4c(cc3c21)OCO4 28572063 NRVCNIXENHXRFB-UHFFFAOYSA-N 292.246 2.733 0 1 CFAF Cc1nc(C)n2c1N[C@H](SCc1ccccc1)NC2=O 27105236 CSTNBWHSEQTWKM-ZDUSSCGKSA-N 288.376 2.700 0 1 CFAF CC1=C[C@@H]2Cc3nc(O)ccc3[C@](N)(C1)/C2=C/C(F)(F)F 101260877 OPWXEMFYURUFIN-SCTSNSPHSA-N 296.292 2.952 0 1 CFAF CC(=O)[C@H]1C(=O)N(c2ccccc2)N=C1c1ccccc1 101975995 CXINPGCDHACUOD-OAHLLOKOSA-N 278.311 2.643 0 1 CFAF CCN[C@@H]1CCc2c(SC)ccc(OC)c2C1 29211137 YFSFCNMGAJHSHZ-SNVBAGLBSA-N 251.395 2.884 0 1 CFAF COc1cccc2c(=O)n(C3C[C@H]4CC[C@H](C3)N4C)ccc12 101755843 YTLYUJYDNPACCC-CHWSQXEVSA-N 298.386 2.808 0 1 CFAF COc1ccc(-c2nnc3oc(O)cc(C)c2-3)cc1 101727346 CIVRSPQZUVONFJ-UHFFFAOYSA-N 256.261 2.864 0 1 CFAF CCc1cc(=O)oc2nc(CCc3ccccc3)nc(O)c12 66074036 IERJORUUONMJDB-UHFFFAOYSA-N 296.326 2.636 0 1 CFAF Cc1ccc([C@H](O)c2ccccc2CN(C)C)c(N)c1 28569905 ZXSCHWNAHIGTOP-QGZVFWFLSA-N 270.376 2.721 0 1 CFAF CN(C)c1nc(-c2ccccn2)c2sccc2n1 29047670 RRUBGPMMGVDXDJ-UHFFFAOYSA-N 256.334 2.819 0 1 CFAF O=C1Oc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]12 2356748829 WNGYYRCTIGAIQX-DZGCQCFKSA-N 266.252 2.538 0 1 CFAF C[C@@H]1CC[C@@H]2[C@@H]1[C@H]([C@@H](C)C(=O)O)CCC[C@]2(C)O 2356762200 HQEHOUBUOJUOIA-JWOJSXKRSA-N 254.370 2.921 0 1 CFAF CN(C=O)CC[C@H](c1ccccc1)c1ccccn1 2356858259 SXXHPCVDFDABHW-OAHLLOKOSA-N 254.333 2.692 0 1 CFAF CO[C@]12C=C[C@H](CC1)[C@H]1C(=O)c3c(C)c(C)n(C)c3C(=O)[C@@H]12 31896923 NDTURTFDFKXIBS-XWXWGSFUSA-N 299.370 2.618 0 1 CFAF COc1ccc(C(N)=O)cc1/C=C/c1ccccc1 73198173 NCQRGUBSHATDBY-BQYQJAHWSA-N 253.301 2.965 0 1 CFAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(SC)cc1)N2 45286511 YDNOASAJYGOBQG-RZFFKMDDSA-N 291.416 2.806 0 1 CFAF Nc1nccc(-n2ccc3ccc(Br)cc32)n1 95590307 SXWPDFYGSHSGBS-UHFFFAOYSA-N 289.136 2.765 0 1 CFAF O=C1OCC(c2ccccc2)=C1[C@H](O)c1ccccc1 299835669 MIYFJCIRAHGELB-MRXNPFEDSA-N 266.296 2.731 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CC[C@H]1CCOC1)O2 587413085 PQKAEAPSKXQZPV-RYUDHWBXSA-N 275.348 2.728 0 1 CFAF COc1ccc(C[C@H](C)c2nc3cnncc3[nH]2)cc1OC 587927407 UEWGZESWUXXKFD-JTQLQIEISA-N 298.346 2.716 0 1 CFAF COC(=O)[C@H]1C=Cc2nc3cccc4c3c(c21)CC4 587213144 GCXYBYXUGNYOPU-NSHDSACASA-N 251.285 2.617 0 1 CFAF Nc1ccnc2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc12 587962610 XZABHQNFQBICHJ-RYUDHWBXSA-N 264.332 2.886 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3CC(=O)C[C@H]3C1)O2 587408958 RUHQKJKJRWHURJ-YQYWCBKUSA-N 285.343 2.670 0 1 CFAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1cn[nH]c1 962369309 CISXFYONIUNLNM-INIZCTEOSA-N 298.415 2.957 0 1 CFAF COCOCC[C@@H]1NCCc2cccc(Cl)c21 963390443 JPUSYCVUJTZYKY-LBPRGKRZSA-N 255.745 2.537 0 1 CFAF C[C@@](O)(C(=O)Nc1ccccc1Cl)C(F)(F)F 13557240 XJVOPOWBIDUKFI-SECBINFHSA-N 267.634 2.592 0 1 CFAF c1ccc(CNCCOc2cccc3[nH]ncc23)cc1 3917152 WYGBVOBBNUHWLX-UHFFFAOYSA-N 267.332 2.732 0 1 CFAF in-vivo CC(C)(C)c1ccc(CC(=O)N2CC[C@]2(C)C(=O)O)cc1 61926374 GJWHRSAKGNULFF-QGZVFWFLSA-N 289.375 2.602 0 3 CFAF CC(C)N[C@H](C)[C@@H](O)COc1cccc2occc12 28767710 ZFBWVIDHCPKVMH-YPMHNXCESA-N 263.337 2.559 0 1 CFAF CCCC[n+]1cccc2c1CC[C@H]1[C@@H](O)CCC[C@H]21 26285282 AMVOCAFZNUMROI-UNEWFSDZSA-N 260.401 2.965 0 1 CFAF CCc1[nH]c(C(=O)OC)cc2c3cc(O)ccc3nc1-2 100705572 HVGGVSIKZGFHAI-UHFFFAOYSA-N 270.288 2.722 0 1 CFAF CCc1cc(=O)n2[nH]c(C)c(-c3ccccc3OC)c2n1 104236003 LMGLQLVEOQXPTB-UHFFFAOYSA-N 283.331 2.569 0 3 CFAF Cc1c[nH]nc1CCC(=O)NCc1ccc(F)cc1Cl 58603141 YNTNRBLKRYELLJ-UHFFFAOYSA-N 295.745 2.760 0 1 CFAF C[C@@H](O)c1onc(-c2ccccc2)c1C(=O)NC(C)(C)C 2356484926 MJJWJJUNIKXSCM-SNVBAGLBSA-N 288.347 2.923 0 1 CFAF Cc1cc(Nc2nn(C(C)C)c(=O)c3ccccc23)n[nH]1 66104005 RWGFZZRNLKELRN-UHFFFAOYSA-N 283.335 2.753 0 1 CFAF CC(C)=CCc1cc(C=CC(=O)O)cc2c1O[C@H](O)C2 2356680389 HAURWYFBWLWKEE-HNNXBMFYSA-N 274.316 2.546 0 1 CFAF CC1=C[C@H](O)C[C@H](C)C(=O)C[C@@H](C(C)C)C(=O)C1 2356684719 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587251157 ZXCCLBAFQFJNOC-UHFFFAOYSA-N 266.348 2.942 0 1 CFAF Cc1cc2c(cc1F)[C@@H](c1cn(C)nc1C1CC1)NCC2 962088949 HIYHTTUSUWBESG-KRWDZBQOSA-N 285.366 2.980 0 1 CFAF O=C1c2c(O)cccc2C[C@@H]1Cc1ccc(O)cc1 207575450 BUMLHYGBONBUND-LBPRGKRZSA-N 254.285 2.696 0 1 CFAF CCCCCOc1cccc(Cc2cnc(N)nc2N)c1 13801429 JBHNLHXAYAJKPQ-UHFFFAOYSA-N 286.379 2.801 0 1 CFAF C[C@H]1CCC[C@H](NC(=O)COC(=O)c2cccs2)[C@@H]1C 6199842 OTYSXRLCDKZLCS-TUAOUCFPSA-N 295.404 2.846 0 1 CFAF O[C@H]1c2cc(Cl)ccc2S[C@H]1Cn1ccnc1 27415726 RJHFKKKOUBPXBG-RYUDHWBXSA-N 266.753 2.744 0 1 CFAF ClC1(Cl)[C@H]2CCO[C@@]21n1cnc2ccccc21 102944621 FBFWSQQSRNUUDF-PWSUYJOCSA-N 269.131 2.913 0 1 CFAF COc1ccc(-c2c(NCCC(C)(C)C)c(=O)c2=O)cc1 28471585 TUDATBBWGJSBEE-UHFFFAOYSA-N 287.359 2.806 0 1 CFAF c1cc(-c2cnc3cc4c(cc3n2)[C@@H]2CNC[C@H]4C2)c[nH]1 28528982 YYWDSYCXFGGAQR-NEPJUHHUSA-N 276.343 2.799 0 1 CFAF CC1=CCC(=O)[C@H](C)C[C@@H]2OC(=O)[C@H](C)[C@H]2CC1 2356618247 KLZWSNKEPLKAOS-BYNQJWBRSA-N 250.338 2.890 0 1 CFAF CC(C)=CCCC(C)=CCN[C@H](CCC(=O)O)C(=O)O 2356803054 WRAUYKHQSOIVEN-CYBMUJFWSA-N 283.368 2.587 0 1 CFAF CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)O[C@@H](C)CO 35986007 ILYLFTONJARHOX-ZDEQEGDKSA-N 258.358 2.981 0 1 CFAF in-man CCC(=O)NCC1(c2cn(C)c3ccc(OC)cc23)CC1 36188176 HQKBGAXBQQUIAF-UHFFFAOYSA-N 286.375 2.745 0 1 CFAF Fc1ccccc1CN1CCC[C@@H](NC2CCC2)C1 39557596 URPVXMJOQFMLCQ-OAHLLOKOSA-N 262.372 2.932 0 3 CFAF Cc1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1 71295390 MILDDBYLPYUFOX-UHFFFAOYSA-N 267.336 2.965 0 1 CFAF CCCc1nnc2n1N=C1c3cccc(C)c3C[C@H]1S2 72118023 WGKPXHVIHXSKAK-GFCCVEGCSA-N 284.388 2.822 0 1 CFAF NC[C@H](O)[C@H](c1ccccc1)n1ccc2cc(F)ccc21 45299553 DHLSZOUSVZEAKZ-IRXDYDNUSA-N 284.334 2.689 0 1 CFAF CC(=O)c1cccc(-c2cc(NC3CC3)ncn2)c1 82162373 XHZFGQZCNBCYMP-UHFFFAOYSA-N 253.305 2.921 0 1 CFAF CCOC(=O)c1cc(Cl)[n+]([O-])c2ccc(C)cc12 84668691 JZMAEHJRTHMBFG-UHFFFAOYSA-N 265.696 2.612 0 1 CFAF N[C@@H](c1ccsc1)c1nc2c(F)cnc(Cl)c2[nH]1 587024555 CDLSCOLJDBQSMU-ZETCQYMHSA-N 282.731 2.860 0 1 CFAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(F)cnc2[nH]1 587164169 RNIBLRGMPSZIGU-ZDUSSCGKSA-N 288.301 2.887 0 1 CFAF CCOc1n[nH]c(-c2nc3cc(C)cnc3[nH]2)c1Cl 587065435 QHZUKTRSWIUECB-UHFFFAOYSA-N 277.715 2.709 0 1 CFAF CC[C@H](C)CSC(=S)NCCCC[S@](C)=O 1857654465 PBJANPMKZXATOM-QFYYESIMSA-N 281.512 2.799 0 1 CFAF C[C@H](NC(=O)OCCCc1c[nH]cn1)C(C)(C)C 13285167 RVNLVECYTMCMTN-JTQLQIEISA-N 253.346 2.503 0 1 CFAF O=C1O[C@H](O)C(Cc2ccccc2)=C1c1ccccc1 13376461 MFURXTOJWOOSEM-INIZCTEOSA-N 266.296 2.558 0 1 CFAF in-vitro Oc1ccc2c(c1)CCc1cc3c(c(O)c1-2)OCO3 14650902 QPSCKIQSZZPZQX-UHFFFAOYSA-N 256.257 2.592 0 1 CFAF N=c1[nH]c(=N)c2nc(/C=C/C=C/c3ccccc3)ccc2[nH]1 1857642407 QAMPUIOBFQVSHY-KBXRYBNXSA-N 289.342 2.577 0 1 CFAF CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)O)C1 13579465 QEBZNCBTDUQTGK-WCQYABFASA-N 267.756 2.850 0 1 CFAF O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1c1ccc(Cl)cc1O 4162314 OQNLBSKEHVOVGI-OZVVPTBGSA-N 291.734 2.581 0 1 CFAF Cc1ccccc1[C@H]1N(c2nccs2)C(=O)[C@H]2CCCN21 59874909 QLCVVLDQCWMGQX-ZIAGYGMSSA-N 299.399 2.961 0 3 CFAF CCN1Cc2ccccc2C(=O)c2ccc(CC(=O)O)cc21 26028434 KYUZGNJJVLMLOG-UHFFFAOYSA-N 295.338 2.885 0 1 CFAF CC(=O)O[C@H](C)N1CCC(Cc2ccccc2)CC1 103280519 WJYPQIRWRKRLFP-CYBMUJFWSA-N 261.365 2.850 0 1 CFAF c1ccc(N2CCN(c3ccnc4[nH]ccc34)CC2)cc1 28706821 GZPGPPAMWZGJHX-UHFFFAOYSA-N 278.359 2.890 0 1 CFAF C[C@@H]1C(=O)O[C@@H]2C[C@@H]3C(=O)CC[C@H](C)[C@@]3(C)C[C@@H]12 2356801274 RLDRZSAZEAWMSP-RDFJVICFSA-N 250.338 2.579 0 1 CFAF CCCCC[C@H](C[C@H](O)C[C@H]1CC=CC(=O)O1)OC 71333713 JJFJQEIHTAJVJL-BFHYXJOUSA-N 270.369 2.595 0 1 CFAF COc1ccc(CN(C)Cc2ccc(CNC=O)cc2)cc1 71341716 BIURWOZTUMTEIL-UHFFFAOYSA-N 298.386 2.573 0 1 CFAF COc1ccc2c(c1OC)C[C@H](O)[C@@H](c1ccccc1)O2 222445530 XHNJWOMLAILEBV-XJKSGUPXSA-N 286.327 2.741 0 1 CFAF CCc1ccc2c(c1)O[C@]1(OC(=O)c3ccccc31)C2=O 95590870 FEHGYSQQDBWUGQ-QGZVFWFLSA-N 280.279 2.848 0 1 CFAF CN(Cc1cc(O)n[nH]1)c1cccc(Br)c1 95581599 XQRZZFDXKZBBCK-UHFFFAOYSA-N 282.141 2.514 0 1 CFAF Cc1ccn2c(C)c(C(=O)NCc3ccccc3)nc2c1 299839988 UGILCRRYIQETMF-UHFFFAOYSA-N 279.343 2.881 0 1 CFAF CC[C@H](C)NC(=O)c1nc(-c2ccc(C)cc2)cnc1N 473101879 KXZIBNHZCPVDRL-NSHDSACASA-N 284.363 2.563 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1cccnc1F)[C@@H](C2)C3=O 587429342 UIMKZEHHOHKUNG-XHDPSFHLSA-N 285.274 2.718 0 1 CFAF Oc1nccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 587015801 BMTBSGNQDMZNFS-SECBINFHSA-N 288.332 2.639 0 1 CFAF N[C@@H](Cc1nc2cnncc2[nH]1)c1cccc2ccccc12 587259098 XHJMNAPEWGJXEV-AWEZNQCLSA-N 289.342 2.749 0 1 CFAF Cc1cc(F)c2[nH]c(-c3ccc(CC(=O)O)c(N)c3)nc2c1 587249904 PTOBTZVUCSJUCN-UHFFFAOYSA-N 299.305 2.887 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(=O)CC(C)C)O2 587402419 COHLDGUKBJVTMN-MRXNPFEDSA-N 275.348 2.916 0 1 CFAF CC1(C)OC(=O)C[C@@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 586912783 XIDVOTRKNSWANN-SSDOTTSWSA-N 299.252 2.786 0 1 CFAF COc1cc2c3c(c1)O[C@]1(CCC[C@@H](C)C1=O)[C@@H](C2)C3=O 587447792 VMCJUZNSVPLXOP-CIBPLQMKSA-N 286.327 2.571 0 1 CFAF NCc1cccc(-c2nc3cc(Cl)cnc3[nH]2)c1 587246720 URAWGIQPGJEUFY-UHFFFAOYSA-N 258.712 2.737 0 1 CFAF CC1(C)CCc2[nH]c3cc(F)cc4c(=O)[nH]nc1c2c34 150189604 UCDKHNXJMSHBER-UHFFFAOYSA-N 271.295 2.767 0 1 CFAF C[C@@H]1C(=O)CC[C@]2(C)CC[C@@H]3[C@@H](C)C(=O)O[C@H]3[C@H]12 169298392 BXRGGUXPWTWACZ-SWMIPMENSA-N 250.338 2.579 0 1 CFAF CC(C)Nc1cc(NC(=O)c2ccccc2)ncn1 169303695 RZUMSEAUPXVHDG-UHFFFAOYSA-N 256.309 2.549 0 1 CFAF CCN1[C@@H]2CC[C@@H]1CC(NC(=O)N1CCc3ccccc31)C2 100809989 GHYDWVPFCQRKOT-HZPDHXFCSA-N 299.418 2.774 0 1 CFAF C/C=C/Oc1cccc(Cl)c1[C@@H]1OC(=O)NC1=O 27867590 ICJOIHDNWWXGAB-LFKJVQOCSA-N 267.668 2.560 0 1 CFAF CN(C)c1ccc(-c2cn3cc(O)ccc3n2)cc1 28710747 AUUMNJLGCVKNQS-UHFFFAOYSA-N 253.305 2.773 0 1 CFAF Cc1cc2n(c1C(=O)c1ccccc1)CC[C@H]2C(=O)O 27903024 WKLDPSRLGSAAPU-GFCCVEGCSA-N 269.300 2.599 0 1 CFAF Cc1cccc2[nH]c([S@@](=O)Cc3ccccc3N)nc12 28228152 JUZXVPWJGIDRCJ-HXUWFJFHSA-N 285.372 2.761 0 1 CFAF C[C@]12CC[C@]3(C[C@H]1CC[C@@H]2O)OC(=O)c1cc(O)ccc13 84669594 FTWAPFZNUJQOSG-YHYFCUHBSA-N 288.343 2.719 0 1 CFAF COc1cc(OC)c(OC)cc1/C=C/[C@]1(C)C=CC(=O)O1 96921238 NAZCGLKZBSWDHW-BIENSFFJSA-N 290.315 2.597 0 1 CFAF Cc1ccc(Nc2ccc(N)c3nc[nH]c(=O)c23)cc1C 96937613 DSHDPIGWPBTQAT-UHFFFAOYSA-N 280.331 2.866 0 1 CFAF C/C(=C\c1nc(-c2ccc(F)cc2)cs1)C(N)=O 653721482 LXRQNPWOIRMCLY-SOFGYWHQSA-N 262.309 2.838 0 1 CFAF N=C(N)NCCc1cn(Cc2ccccc2)c2ccccc12 653786015 QOALJSPNFYKSFD-UHFFFAOYSA-N 292.386 2.715 0 1 CFAF CS(=O)(=O)/C=C\c1nc2cccc(C(F)(F)F)c2[nH]1 586923471 MHQFXTRWPPPUKJ-WAYWQWQTSA-N 290.266 2.597 0 1 CFAF Cc1ccc2c(ccc3nc(Cc4cccnc4N)[nH]c32)n1 587253264 FBEQMUYKZHVMJX-UHFFFAOYSA-N 289.342 2.988 0 1 CFAF O[C@H](c1nc2ccc(Cl)cc2[nH]1)C1CCOCC1 586913154 ITFRHJAQCBROCS-LBPRGKRZSA-N 266.728 2.676 0 1 CFAF COc1cc(C)ccc1OCc1nc2ccnc(OC)c2[nH]1 587564550 VWHDFTHOVMLDRD-UHFFFAOYSA-N 299.330 2.863 0 1 CFAF COc1nccc2nc([C@H](O)c3ccccc3Cl)[nH]c12 587059266 NEOMKPVWQYXXEE-GFCCVEGCSA-N 289.722 2.702 0 1 CFAF CC1(C)CCC(Cc2nc3c(O)ncnc3[nH]2)CC1 587960567 KTPWSWGIBWHWFX-UHFFFAOYSA-N 260.341 2.817 0 1 CFAF N[C@H](c1ccsc1)c1nc2cc3cn[nH]c3cc2[nH]1 587026661 MACOQQHBDFLLPQ-GFCCVEGCSA-N 269.333 2.549 0 1 CFAF CN(C)C[C@H](O)[C@H](c1ccccc1)c1cccs1 169314847 BPKWHOZTMDXXBA-ZFWWWQNUSA-N 261.390 2.803 0 1 CFAF Cc1ccnc2c1CCN[C@@]21C[C@@]2(C)CC(=O)C[C@@]2(C)C1 963070669 POCQSOXJVUUJFT-BCDXTJNWSA-N 284.403 2.900 0 1 CFAF OC12C[C@H]3CC(C[C@@H](C3)C1)N2Cc1cccc(F)c1 169296190 HWJPNIWBTALDDO-KCNJBTMXSA-N 261.340 2.909 0 1 CFAF c1ccc(CONC2=NCCc3ccccc32)cc1 169331939 BMMZQLANSODCGT-UHFFFAOYSA-N 252.317 2.711 0 1 CFAF CC(=O)Nc1cc(F)cc(-c2ccc3ncnc(N)c3c2)c1 169341883 XTWHPMCAAZDGGT-UHFFFAOYSA-N 296.305 2.977 0 1 CFAF Oc1cccc2c1C[C@H]1c3cc4c(cc3CCN1C2)OCO4 1857609191 AJIGSTIZSNHTOD-HNNXBMFYSA-N 295.338 2.776 0 1 CFAF C1=C(c2ccccc2)N=C2N=NNN2[C@@H]1c1ccco1 222787 PTOHSDHWNBSZLT-LBPRGKRZSA-N 265.276 2.919 0 1 CFAF COC(=O)N1CCC[C@@]2(CCN(c3ccccc3)C2)C1 3955869 GCNCWQOONQMPQH-INIZCTEOSA-N 274.364 2.745 0 1 CFAF O=c1cc(Cc2nc3ccccc3[nH]2)[nH]n1-c1ccccc1 4741354 VKUQCCDWJVHHOI-UHFFFAOYSA-N 290.326 2.633 0 1 CFAF c1ccc([C@@H]2CNCCN2c2ccc3[nH]ncc3c2)cc1 53243634 NPBFISOTLZPTLN-KRWDZBQOSA-N 278.359 2.714 0 1 CFAF CC1=CCC(=O)[C@H](C)CC[C@@H]2[C@@H](C1)OC(=O)[C@@H]2C 2356625539 PQRMUWWEXAQGMS-NRWUCQMLSA-N 250.338 2.890 0 1 CFAF CC(=O)[C@@H]1O[C@@H](C)[C@H](C)c2c(C)c(O)cc(O)c21 2356807539 XVOPIVORFQRIKH-WGIXKALHSA-N 250.294 2.559 0 1 CFAF CCOC(=O)c1cc2cc3c(cc2s1)OCO3 49109992 DTJWYHCMYXXXGX-UHFFFAOYSA-N 250.275 2.807 0 1 CFAF COc1cccc(CN2C(=O)C(=O)c3cccc(F)c32)c1 40847953 QXJYIQMNMYJCDA-UHFFFAOYSA-N 285.274 2.564 0 1 CFAF Nc1ccc2ccc(C(=O)NCc3ccccc3)cc2n1 43018922 ZSRDQQFKIPTHEP-UHFFFAOYSA-N 277.327 2.747 0 1 CFAF CN(C)CCC1=C(Cc2cccnn2)c2ccccc2C1 49115360 JYRXHQCPLUTCMM-UHFFFAOYSA-N 279.387 2.981 0 1 CFAF Cc1nn(-c2ccccc2)c2cc(N3CC[C@@H](N)C3)ccc12 147358931 YQLAOKYUTKRSQD-CQSZACIVSA-N 292.386 2.871 0 1 CFAF O=C1NC(=O)c2cc(SCCc3ccccc3)ccc21 95576793 LYRVBHRAOSHOJC-UHFFFAOYSA-N 283.352 2.905 0 1 CFAF COc1cc2c3c(cc(OC)c2cc1C)[C@](C)(O)OC3=O 96914491 IFWYNKLMRXRPKE-MRXNPFEDSA-N 288.299 2.501 0 1 CFAF N=c1ccc(-c2ccccc2Cl)nn1CCCC(=O)O 377448995 AJJLGYSZKIWRDX-UHFFFAOYSA-N 291.738 2.548 0 1 CFAF NC(=O)c1cncc(NC(=O)c2cc3ccccc3s2)c1 621471746 DFUDCRPRYUHPOL-UHFFFAOYSA-N 297.339 2.648 0 1 CFAF CCc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 587560771 FTFJJKYFOGQWSN-UHFFFAOYSA-N 267.288 2.665 0 1 CFAF COc1ccc(C=O)cc1-c1nc2cc3c(cc2[nH]1)OCO3 587786586 INWDQGSOBQPEHC-UHFFFAOYSA-N 296.282 2.780 0 1 CFAF COc1ccc(-c2nc3c(C)nccc3[nH]2)c(Cl)n1 587083599 BQCVNBBUSOVFPC-UHFFFAOYSA-N 274.711 2.990 0 1 CFAF Cn1ncnc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587516249 BGNCUPXBFFIBGC-KRWDZBQOSA-N 297.358 2.575 0 1 CFAF Cc1nccc2[nH]c(-c3cc(F)c(N)c(F)c3)nc12 587135029 QFJIKGPMAZFAJU-UHFFFAOYSA-N 260.247 2.794 0 1 CFAF O=C(c1cccc(O)c1)c1c[nH]c2ccc(O)cc12 1857538993 SAGOZUSZXTZYHA-UHFFFAOYSA-N 253.257 2.810 0 1 CFAF CNC(=O)c1cccc2[nH]c(-c3ccc(OC)cc3)nc12 13834563 KXFVEKRQOAGNIL-UHFFFAOYSA-N 281.315 2.598 0 1 CFAF CC(=O)OCCc1c(C)cc2c(c1O)CC(C)(C)C2 14615046 JPNOUUHHRVSNRM-UHFFFAOYSA-N 262.349 2.931 0 1 CFAF CCC(=O)N[C@H]1Cc2cccc3ccc(OC)c(c23)C1 13757231 AFVZJQYIPSPCKZ-ZDUSSCGKSA-N 269.344 2.842 0 1 CFAF Cc1cccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1O 13863693 QFGHSAAJZBLSSS-UHFFFAOYSA-N 266.304 2.528 0 1 CFAF NC(=O)Cc1ccccc1Oc1c(N)cccc1Cl 26397655 JRUSJEKWEZINFT-UHFFFAOYSA-N 276.723 2.742 0 1 CFAF Cc1ccc(-c2nnc(-c3ccc(C)cc3)n2N)cc1 1604584 RURZJKHOZNZBMO-UHFFFAOYSA-N 264.332 2.943 0 1 CFAF COC(=O)c1cccc2c1NC(=O)c1ccccc1O2 2356435608 HWBSGLPTDQMCRK-UHFFFAOYSA-N 269.256 2.831 0 1 CFAF CC(C)(C)NC(=O)N1CCn2cccc2[C@@H]1c1cccnc1 4329770 APHHJZXVRXDLNH-HNNXBMFYSA-N 298.390 2.796 0 1 CFAF Oc1c2nc3ccc(F)cc3c-2ncn1Cc1ccncc1 101897157 SWYGWYCRMHPFCH-UHFFFAOYSA-N 294.289 2.824 0 1 CFAF c1c[nH]c(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1 28640361 AFRRRQARLYDLTJ-INIZCTEOSA-N 295.390 2.968 0 1 CFAF CC(=CC(=O)O)CCC=C(C)CC[C@@H](O)C(C)(C)O 2356551213 UULZSWLWBGEDTD-CYBMUJFWSA-N 270.369 2.656 0 1 CFAF C[C@@H](O)c1onc(-c2ccccc2)c1C(=O)N1CCCC1 2356631480 DODGXMBKXJDCRK-LLVKDONJSA-N 286.331 2.631 0 1 CFAF CO[C@@H](C=C(C)C1CCC(C)(NC=O)CC1)[C@@H](O)C(C)C 2356801730 RRLYPTHPAZTQAZ-YZUHTNEWSA-N 297.439 2.660 0 1 CFAF Clc1ccc(Nc2ccc([C@H]3CNCCO3)cn2)nc1 149975019 SNFXXLLFZJBHJN-GFCCVEGCSA-N 290.754 2.535 0 1 CFAF C/C1=C/C[C@H](O)[C@H](C)C[C@@H]2OC(=O)[C@@H](C)[C@H]2CC1 257470192 LAOQYXNUSDEVJK-NPWSLEPQSA-N 252.354 2.681 0 1 CFAF endogenous,in-man CN(C)C(=O)c1ccc2nc([C@H]3CCCC(=O)CC3)[nH]c2c1 586888168 WRVZZEZCZXOJAS-NSHDSACASA-N 299.374 2.882 0 1 CFAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(O)cc3[nH]1)C2 586884488 ILFCGXKPTBCGBQ-GARJFASQSA-N 268.316 2.907 0 1 CFAF NC1CC(Cc2nc3cccc(C(F)(F)F)c3[nH]2)C1 587255422 NWTUGVRLCMQRGQ-UHFFFAOYSA-N 269.270 2.862 0 1 CFAF O=C(O)/C=C/C=C/c1nc2c(Cl)ncc(Cl)c2[nH]1 587969743 VXJLIMZMIMGBKT-ZPUQHVIOSA-N 284.102 2.919 0 1 CFAF O=C(O)c1ccc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c1 586883623 CQUPLBSRSJQSPL-SCVCMEIPSA-N 296.326 2.900 0 1 CFAF Nc1cccc(O)c1-c1nc2ccc(F)c(F)c2[nH]1 587249855 KZWAVBWIBZRDOY-UHFFFAOYSA-N 261.231 2.796 0 1 CFAF FC(F)(F)c1ncc2nc(C=C3CCC3)nc-2[nH]1 587964914 JGBODFGLZSUCNA-UHFFFAOYSA-N 254.215 2.891 0 1 CFAF CC[C@H]1CCC(=O)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587446153 AHBBVNKCDOMHQC-BFCNOCSMSA-N 286.327 2.571 0 1 CFAF COc1cc2c3c(c1)OC1(CC4(CC4)C1)[C@@H](C2)C3=O 587447652 UYTWROXMKVTJGO-NSHDSACASA-N 256.301 2.755 0 1 CFAF Cc1cc(C)c(C(N)=O)c(NCc2ccccc2C)n1 12972508 XWEHWBCRUJLRMV-UHFFFAOYSA-N 269.348 2.718 0 1 CFAF COc1cc(O)cc(CCc2ccc3c(c2)OCO3)c1 13340249 WXLWYVQONUUBMT-UHFFFAOYSA-N 272.300 2.915 0 1 CFAF biogenic,in-vitro C(=C/c1cncc(OC[C@@H]2CCCN2)c1)\c1ccncc1 14957597 UBTXPQLEIYAULK-CWDCEQMOSA-N 281.359 2.778 0 1 CFAF CCC[C@@H](O)CC(=O)CCc1ccc(OC)c(OC)c1 15257061 BPFHXUQCUSEBSB-CYBMUJFWSA-N 280.364 2.757 0 1 CFAF biogenic,in-vitro COc1cc(N[C@H](C)CCN)c2nc(C)ccc2c1 169322708 FROOZDGITOMJEJ-LLVKDONJSA-N 259.353 2.701 0 1 CFAF CC(C)SCCCNC[C@H](O)COc1ccccc1 169325235 WEEHXNUUFIMTRY-AWEZNQCLSA-N 283.437 2.548 0 1 CFAF COc1ccc(-c2nc(=N)[nH]c3c2C[C@H](C)CC3)cc1 1857584369 NYQVUBZULKNKET-SNVBAGLBSA-N 269.348 2.690 0 1 CFAF COc1cccc(-c2cc(=O)c3c(O)cc(OC)cc3[nH]2)c1 28457023 HDCIUXXLEWHCKB-UHFFFAOYSA-N 297.310 2.918 0 1 CFAF O=C1c2ccccc2OC[C@@]12O[C@@]21C=CC(Cl)=CC1 1658169 CRBUDKIYSKYRSV-HUUCEWRRSA-N 274.703 2.852 0 1 CFAF CC1=C[C@H]2[C@H](CC1)[C@@H](C(=O)O)CC[C@H]2[C@H](C)CO 2356325415 XJQKXTUWCXCVTK-XHJNMGKDSA-N 252.354 2.698 0 1 CFAF CN1[C@@H]2CC[C@@H]1[C@H](/C=C/CO)[C@H](c1ccccc1)C2 100789829 BAROFIYZXNPKFU-KRTXUTAFSA-N 257.377 2.801 0 1 CFAF Cc1ccc([C@H]2OC[C@H](NC(=O)c3ccccc3)CO2)cc1 101097036 QMADBHFUZDTOBN-MAEOIBBWSA-N 297.354 2.839 0 1 CFAF Nc1ccc(C2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 28231355 QKZZLSKHUZZWJR-IRXDYDNUSA-N 274.408 2.752 0 1 CFAF CCC(=O)N(c1ccccc1)[C@H]1CCCN(C)CC1 27989343 SOVOJKBYFSXHSC-HNNXBMFYSA-N 260.381 2.914 0 1 CFAF Cc1coc2c1[C@@H]1OC(=O)[C@@H]3CCC[C@@H](C2=O)[C@@]31C 2356498622 DKIQWJSYQVPEGA-CMHQFQFSSA-N 260.289 2.805 0 1 CFAF CN(C)CCC1(c2ccc(O)cc2)CCC(=O)CC1 34251057 JKAPXMKAOLCRPY-UHFFFAOYSA-N 261.365 2.725 0 1 CFAF O=C(C[C@H]1CC(c2ccc(O)cc2)=NO1)Oc1ccccc1 37858807 AAXRYJXUKOFPON-OAHLLOKOSA-N 297.310 2.881 0 1 CFAF CN1C[C@H]2C[C@H]1C[C@H](OC(=O)c1cc(F)cc(F)c1)C2 194971106 KNPHZKMIPVOZPG-QCZZGDTMSA-N 281.302 2.604 0 1 CFAF OCCCCNc1cncc(Oc2ccccc2F)n1 82068616 CKNFWNHPJIXKIE-UHFFFAOYSA-N 277.299 2.592 0 1 CFAF NCc1cccc2c1-c1ccccc1[C@@]2(O)C(F)(F)F 143494996 XKRISICVZWITBV-AWEZNQCLSA-N 279.261 2.924 0 1 CFAF CN1CCc2cc3oc(=O)[nH]c3cc2[C@@H](c2ccccc2)C1 299834609 USQVNDTUQKYGMB-OAHLLOKOSA-N 294.354 2.741 0 1 CFAF Cc1nc(O)c2[nH]nc(-c3ccc(Cl)cc3)c2n1 653706685 CVCDGVMGVIDTJX-UHFFFAOYSA-N 260.684 2.687 0 1 CFAF Fc1cccc([C@H]2C[C@@H]2c2nc3ncc[nH]c-3n2)c1F 587149780 BDZPICZYYKSGDO-BDAKNGLRSA-N 272.258 2.854 0 1 CFAF Cc1ccc(C)c(Cc2nc3cc[nH]c(=N)c3[nH]2)c1 587958790 JWVRXKIVSVLXEH-UHFFFAOYSA-N 252.321 2.578 0 1 CFAF CC[C@H](C)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587954780 CGQRSNQHKJTSAT-LBPRGKRZSA-N 272.396 2.828 0 1 CFAF CCc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)on1 587395408 QSVXQAIAOWIHKU-CYBMUJFWSA-N 272.304 2.834 0 1 CFAF Cc1ccc2nc(C[S@](=O)CC3CC3)[nH]c2c1C 586960149 SWRDJQKEEBTWIY-GOSISDBHSA-N 262.378 2.838 0 1 CFAF COc1ccc(-c2ccn(-c3ncccc3C(=O)O)n2)cc1 957993459 SSUGCRDARPZAEL-UHFFFAOYSA-N 295.298 2.641 0 1 CFAF O=C1C[C@@H](c2cccc3cc(Cl)ccc23)C(=O)N1 1772648786 QLEPWSIMBCCTEX-LBPRGKRZSA-N 259.692 2.623 0 1 CFAF O=C(NCc1ccccc1)Nc1ccc2cnccc2n1 5934198 OZJKGVDIYTULPQ-UHFFFAOYSA-N 278.315 2.952 0 1 CFAF Cc1coc2c1[C@@H](O)[C@]1(C)[C@H](C)[C@H](O)CC[C@@H]1C2 15220387 JWKRZHJQYDUUNQ-KAILVDNBSA-N 250.338 2.591 0 1 CFAF in-man CCOC(=O)[C@H]1C[C@H]2CC[C@@H](N2)[C@H]1c1cccs1 169328230 KSHVQOVMUDJQBY-XZUYRWCXSA-N 265.378 2.535 0 1 CFAF CSC1=N/C(=C\c2cn(C)c3ccccc23)C(=O)N1C 1658336 HBQLYJWBEMNEJI-WQLSENKSSA-N 285.372 2.710 0 1 CFAF CC(C)CNC(=O)c1ccc2cc(C(=O)O)ccc2c1 1857588245 QKFSSAAQTMEWPK-UHFFFAOYSA-N 271.316 2.924 0 1 CFAF COc1ccccc1CN1CCC(C2CCNCC2)CC1 13470164 FRRZPZBBNJYGBE-UHFFFAOYSA-N 288.435 2.907 0 1 CFAF CN1CCc2cc(O)ccc2Cc2ccc(O)cc2CC1 13684124 SBKJMNCSBLEGCS-UHFFFAOYSA-N 283.371 2.719 0 1 CFAF O=C1NC2(CCCCCC2)[C@@H]2CCCCCC[C@@]12O 1620275 RHKYNGKMJNUJKI-BBRMVZONSA-N 265.397 2.911 0 1 CFAF OC[C@@H]1c2ccccc2-n2nc(-c3ccccc3)c(O)c21 1645817 PFYARDXHCNTGGK-CYBMUJFWSA-N 278.311 2.683 0 1 CFAF O[C]1C=CC(=C2C=Cc3c(O)cc(O)cc3O2)C=C1 2356354983 BXCFQYJHCVBKPY-UHFFFAOYSA-N 255.249 2.788 0 1 CFAF CN1C(=O)[C@H]2O[C@H](c3ccccc3)[C@H]1[C@@H]2c1ccccc1 104375928 QVGJMLNUOQHRAS-HZMVEIRTSA-N 279.339 2.751 0 1 CFAF endogenous,in-man COc1ccc([C@](O)(c2cncnc2)C2CCC2)cc1 28767777 UDBMFAGIIIZBNN-INIZCTEOSA-N 270.332 2.521 0 1 CFAF COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@@H]1N2C 100812567 MMKZDDDDODERSJ-FZKCQIBNSA-N 273.376 2.734 0 1 CFAF CC(C)c1nn(-c2ccccc2)[n+](-c2ccccc2)n1 29131417 QKAOJBDQOTXSGH-UHFFFAOYSA-N 265.340 2.667 0 1 CFAF Cc1[nH]cnc1-c1nnc(Nc2ccccc2)s1 64479868 QZOIDBRFQWQFSU-UHFFFAOYSA-N 257.322 2.980 0 1 CFAF CC(C)=CCc1cccc2c3c([nH]c12)CN[C@@H](C(=O)O)C3 2356460445 VQSWVFALFFYCMJ-CQSZACIVSA-N 284.359 2.776 0 1 CFAF CC(C)(C)C(=O)OC[C@@H]1C=C(c2ccccc2)C(=O)OC1 64559320 XWHJKEZKXVUPDP-GFCCVEGCSA-N 288.343 2.832 0 1 CFAF CCNC(=O)[C@]1(C)CCCN1Cc1ccccc1Cl 61905940 UIRZQQRBKBMEOO-HNNXBMFYSA-N 280.799 2.831 0 3 CFAF COc1cc2c(c(OC)c1OC)OC(C)(C)C=C2 897939 OZQYZUMHJKYJEK-UHFFFAOYSA-N 250.294 2.897 0 1 CFAF biogenic O=C(Oc1ccccc1Cl)N1CCN2CCC1CC2 34051198 QDUOVDJLVGQJCE-UHFFFAOYSA-N 280.755 2.619 0 1 CFAF CN1C[C@@H]2CN(c3ccc(-c4ccccc4)nc3)C[C@H]2C1 40975117 UJLKEVKJFLTZAG-HZPDHXFCSA-N 279.387 2.746 0 1 CFAF CCCCCC[C@@H]([C@@H](C)O)n1cnc(C(=O)OCC)c1 40828483 BUIINKWOKBENCT-OCCSQVGLSA-N 282.384 2.952 0 1 CFAF COc1ccc2cccc(CCN3CCOC3=O)c2c1 40379891 DIWHNASBHNCGIW-UHFFFAOYSA-N 271.316 2.843 0 1 CFAF O=C1OCc2ccc(OCCc3ccccc3)cc21 96927355 IRLJECRDQFRUJE-UHFFFAOYSA-N 254.285 2.979 0 1 CFAF NC(=O)c1ccc2c(c1)-c1ccccc1[C@]2(O)C(F)(F)F 144692524 XCTGAPBZTAWWDV-CQSZACIVSA-N 293.244 2.564 0 1 CFAF CN1[C@H]2CC[C@H]1[C@@H](c1ccc(Br)nc1)C2 299804579 GXJFGFJKAUWQKD-AXFHLTTASA-N 267.170 2.794 0 1 CFAF CC(C)Cn1c(C(C)C)c(Cl)nc(-n2cccn2)c1=O 653795672 RUCDZJIGTOBHMQ-UHFFFAOYSA-N 294.786 2.862 0 1 CFAF COC(=O)c1cccc2nc(C(C)(C)Cl)[nH]c12 587007954 JMNFCRVDJVYVLZ-UHFFFAOYSA-N 252.701 2.823 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](c1cnc[nH]1)CC2=O 587483182 LFBFWIFWFGWDQZ-CQSZACIVSA-N 272.304 2.774 0 1 CFAF Nc1ncccc1Cc1nc2cc(Cl)c(F)cc2[nH]1 587254048 PHLMZACNSGKDSF-UHFFFAOYSA-N 276.702 2.923 0 1 CFAF Clc1ccc(-n2cc(-c3nc4cccnc4[nH]3)nn2)cc1 587075920 MPWQWRJIEJHSDG-UHFFFAOYSA-N 296.721 2.859 0 1 CFAF COc1ccc(-c2nc3cc(N)c(N)cc3[nH]2)c(OC)c1C 587788195 QVXNWXGCABGNPW-UHFFFAOYSA-N 298.346 2.720 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1nccs1)[C@@H](C2)C3=O 587453108 PRZODVJOVCHHQZ-ZUZCIYMTSA-N 287.340 2.815 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccc(F)cc1N)[C@@H](C2)C3=O 587429450 UCBPIIBIMRNYHQ-YVEFUNNKSA-N 299.301 2.905 0 1 CFAF Cc1ccc(CSCCc2nc3c(N)ncnc3[nH]2)cc1 586971874 ZVQVCDYKSYEYLR-UHFFFAOYSA-N 299.403 2.719 0 1 CFAF CC(C)CCSC(=S)NCC/C=C/[S@@](C)=O 1857773178 DTEYLYSQUUHYHH-DXWDOBMASA-N 279.496 2.923 0 1 CFAF O=C1C=C(c2ccccc2F)/C(=C/Br)N1 1857570541 JLXBHRXGAVKGTP-POHAHGRESA-N 268.085 2.575 0 1 CFAF CCN(CC)C[C@H]1C[N@@]1Cc1ccc(Cl)cc1 1857622708 ZQOHVUHGVVZNOP-WMLDXEAASA-N 252.789 2.866 0 1 CFAF Cc1ccc(/C=C/c2ccc3nc(N)nc(N)c3n2)cc1 1772635626 KEHSQAAOGNKHOD-VOTSOKGWSA-N 277.331 2.668 0 1 CFAF c1ccc(CCN[C@H]2[C@H]3[C@H]4C[C@H]5[C@H]3C[C@H]3[C@@H]5[C@@H]4[C@H]23)cc1 169300510 KBAKPEFQDPCCTP-YOMIMPELSA-N 265.400 2.965 0 1 CFAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CNCc1cccs1 2356316148 HXBJJCRVGBAZDO-RDBSUJKOSA-N 264.438 2.958 0 1 CFAF COC1=C(SC)/C(=C/N=O)NC(c2ccccn2)=C1 100304926 FXPSZLHFJDHOMI-FLIBITNWSA-N 275.333 2.855 0 1 CFAF in-vitro c1cc(-c2ccc(-n3cnnc3)nc2)cc(-c2cc[nH]n2)c1 20600734 OIJCHYYOEKBKHC-UHFFFAOYSA-N 288.314 2.719 0 1 CFAF COc1cc(O)c2c(=O)cc(Cc3ccccc3)n(C)c2c1 28458993 VYEWUTJTMBYVCQ-UHFFFAOYSA-N 295.338 2.844 0 1 CFAF CC1=C2CC[C@]3(C)CCC[C@](C)(O)[C@@H]3[C@@H]2OC1=O 2356487277 VLDRHPYYCMRAEB-UXOAXIEHSA-N 250.338 2.580 0 1 CFAF CC(C)(C)CC(=O)Nc1ccnc(-c2ccncc2)n1 27980871 INBXFZUTLODXIM-UHFFFAOYSA-N 270.336 2.913 0 1 CFAF COC(=O)C1=C(C)N=C(C)C(=C(O)OC)[C@H]1c1ccco1 2356828942 IMUMCVJFVZECHQ-CYBMUJFWSA-N 291.303 2.701 0 1 CFAF CC(=N)Nc1ccc(C(=O)Nc2nccs2)cc1 1911571879 DXFWKPJGMGERKS-UHFFFAOYSA-N 260.322 2.804 0 1 CFAF CC(C)C[C@@H]1N[C@H](CC(C)C)C(=O)N[C@@H]1C(C)C 136592537 GHNFQFAWPOCNIL-BFHYXJOUSA-N 254.418 2.560 0 1 CFAF C/C1=C/CC/C(C)=C/[C@H]2OC(=O)[C@H](C)[C@H]2[C@@H](O)C1 238789134 TXSIFZZILWRCIY-XZHUCHJASA-N 250.338 2.602 0 1 CFAF Nc1nnc(SCc2cc(=O)c3ccccc3o2)s1 96911308 CWUQGTXKJCPEHY-UHFFFAOYSA-N 291.357 2.519 0 1 CFAF Cc1ccccc1-c1cc2cc3c(cc2n(O)c1=O)OCO3 299826355 ZGNISNCAMZHNGF-UHFFFAOYSA-N 295.294 2.943 0 1 CFAF C[C@H]1CC[C@H](Nc2nc(N)nc3c2nn2ccccc32)CC1 653745041 SGKYWFHQEXJZGF-XYPYZODXSA-N 296.378 2.850 0 1 CFAF COc1nccc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c12 587970027 XCVUXHFHCUQQSX-UVAGUKSRSA-N 297.358 2.613 0 1 CFAF COC(=O)[C@H]1c2c(nc3cccc4c3c2CC4)C1(C)C 587213037 FMEQSTSBMJFRQF-CQSZACIVSA-N 267.328 2.881 0 1 CFAF O=C1O/C(=C/c2nc3c(Cl)ncnc3[nH]2)c2ccccc21 586906772 QQBWKFMLYKIVGN-WEVVVXLNSA-N 298.689 2.675 0 1 CFAF Oc1nc(O)c2ccc(/C=C\c3ccccc3)nc2n1 587560478 CGFIKMSLEIAMEJ-SREVYHEPSA-N 265.272 2.606 0 1 CFAF Cc1ccnc2[nH]c([C@@H](C)Sc3ncccn3)nc12 586962769 ALHDXPNMMLITOI-SECBINFHSA-N 271.349 2.910 0 1 CFAF COc1nccc2nc(Cc3cccc(NC(C)=O)c3)[nH]c12 587242136 HOHAEYKIMRDXRR-UHFFFAOYSA-N 296.330 2.516 0 1 CFAF CCOc1cc(-c2cccc(F)c2)nn1-c1cnccn1 587872526 ZNVMIUUCYIAXIE-UHFFFAOYSA-N 284.294 2.867 0 1 CFAF CCCn1cnc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587432737 ZABHQXBGSBJHQZ-SJKOYZFVSA-N 298.342 2.790 0 1 CFAF Cc1c(F)ccc2c1[C@@]1(CC[C@H]3CC[C@H]1N3C)NCC2 962095918 YHRJAXAQMBFFPF-UNEWFSDZSA-N 274.383 2.732 0 1 CFAF CC(=O)OCC[C@@]1(C)NCCc2cc(Cl)ccc21 963390834 NIOBHJSERFBQMD-CQSZACIVSA-N 267.756 2.654 0 1 CFAF CCOC(=O)Cn1cc(-c2ccc3ccccc3c2)nn1 1772651420 MLSYYBXAXJFZMV-UHFFFAOYSA-N 281.315 2.661 0 1 CFAF COc1cc(/C(C)=C/[C@H](C)C(C)=O)oc(=O)c1C 15120873 MOPXMSJFYITBHO-CYXIBPNKSA-N 250.294 2.585 0 1 CFAF biogenic,in-vitro CN1CCc2ccc(O)c3c2[C@@H]1Cc1cc2c(cc1-3)OCO2 169307280 MZQXDRXOPKONEY-ZDUSSCGKSA-N 295.338 2.873 0 1 CFAF NCCCN1CCc2cccc(OCc3ccccc3)c21 1857647380 LTWAQXXTWHXRCF-UHFFFAOYSA-N 282.387 2.977 0 1 CFAF COC(=O)[C@@H]1CC[C@H]2C(=O)C(C)(C)[C@H]3CC[C@@]12C3 2356442516 FKDLMNVLAYZRNQ-VEABSNGSSA-N 250.338 2.581 0 1 CFAF CC[C@H](C)[C@@H]1NC(=O)C(SCc2ccco2)=C1O 100603446 OHCQTMOEANZHHJ-WPRPVWTQSA-N 267.350 2.827 0 1 CFAF C[C@@H]1NC(=O)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 20115256 RVDBJQXNFKPNRX-XCRHUMRWSA-N 280.371 2.967 0 1 CFAF CCCCSc1nsnc1[C@@H]1CN2CC[C@@H]1C2 27443237 TXFYJYGOWBXYMH-NXEZZACHSA-N 269.439 2.849 0 1 CFAF CCN(C(=O)[C@@]1(c2ccccc2)C[C@H]1CN)C(C)(C)C 29127562 PNHQUTMNPCBPOX-WMLDXEAASA-N 274.408 2.550 0 1 CFAF Cc1c(C)c2c(c(C)c1O)S[C@@H](CCC(=O)O)O2 29316825 NVSUBJYJEMTJRL-JTQLQIEISA-N 268.334 2.993 0 1 CFAF CO[C@@H]1OCC2=C3CC(C)(C)C[C@@H]3[C@H](C)[C@@H](O)C[C@H]21 2356671914 PBYZDERJNBDVLA-MTLGCJRHSA-N 266.381 2.739 0 1 CFAF COc1cc(N)c(Cl)cc1C(=O)CCC1CCNCC1 26501994 BHUVUNZKZDLBRF-UHFFFAOYSA-N 296.798 2.893 0 1 CFAF O=C1NC(=O)c2cc(OC/C=C/c3ccccc3)ccc21 72113183 SITDERYOLJDQJU-QPJJXVBHSA-N 279.295 2.662 0 1 CFAF Cc1n[nH]c2sc3c(=O)[nH]c(-c4ccccc4)nc3c12 42963539 ACNXIOBSPPJVLS-UHFFFAOYSA-N 282.328 2.836 0 1 CFAF CN1C(=O)[C@@]23CCC[C@@H]2C[C@@]1(c1ccccc1)S3 195516141 YTAYZILMDPNPLZ-YUELXQCFSA-N 259.374 2.987 0 1 CFAF CCOC(=O)N1C(=O)C2(CCCCC2)N(C(C)C)C1=S 95872951 CZINQOGTHFGRAF-UHFFFAOYSA-N 298.408 2.683 0 1 CFAF C/C=C1\[C@@H]2CCN3C[C@]4(c5ccccc5N(C(C)=O)[C@@H]4C2)[C@@H]13 238785564 OFTFANZUEOWVIA-LRYMPATQSA-N 294.398 2.714 0 1 CFAF CS/C(=C/[N+](=O)[O-])Nc1ccc(N(C)C)cc1 299855521 FQQVGYUCQVVSAE-DHZHZOJOSA-N 253.327 2.603 0 1 CFAF COc1cc(-c2nc3ccnc(O)c3[nH]2)cc(Cl)c1O 587046156 LKUQIJHLATZNNN-UHFFFAOYSA-N 291.694 2.698 0 1 CFAF NC(=O)Nc1ccc(-c2nc3cc4[nH]ncc4cc3[nH]2)cc1 587243070 DCDDSPXZBAKWBB-UHFFFAOYSA-N 292.302 2.597 0 1 CFAF CC(=O)[C@@H]1CCCC[C@]12NCCc1ccc(O)cc12 963329594 PGILQFLMILZSAA-HOCLYGCPSA-N 259.349 2.512 0 1 CFAF Cc1coc([C@H]2NCCc3c2c(C(C)C)nn3C)c1 962920286 MHYMLLKISNQVOU-OAHLLOKOSA-N 259.353 2.680 0 1 CFAF Cc1ccnc2c1CCN[C@@]2(C)C1C[C@@H]2CC[C@H](C1)C2N 963072875 OTJRMZJKHKIYQP-QYLKIAQDSA-N 285.435 2.514 0 1 CFAF CCCCO[C@@H]1OC(=O)C(Cl)=C1N1CCCCC1 1857650723 IHRSMCGUNAHRQC-CYBMUJFWSA-N 273.760 2.622 0 1 CFAF CNCCCNC(=O)[C@H](C)c1ccc(CC(C)C)cc1 13646139 BWDZMZDRONBZBY-CQSZACIVSA-N 276.424 2.714 0 1 CFAF COc1cc2oc(=O)ccc2cc1CC(=O)C(C)C 12153727 SNMUKKBIVJARHV-UHFFFAOYSA-N 260.289 2.569 0 1 CFAF CN(C)CCCOc1cc(=O)sc2ccccc12 12502122 DIOZFKOOIBATNZ-UHFFFAOYSA-N 263.362 2.592 0 1 CFAF in-vivo CC(=O)Nc1ncc(SCc2cccnc2)s1 13490960 OFEMOKVCHIDRJZ-UHFFFAOYSA-N 265.363 2.789 0 1 CFAF CC1=CC2=NC[C@H](C(=O)c3ccccc3)CN2C=C1 13977867 WLFDRNUMJWIVIZ-AWEZNQCLSA-N 252.317 2.673 0 1 CFAF O=C(Nc1ncnc2oc(-c3cccnc3)cc12)C1CC1 14946144 WMJDKJPJZVMOIF-UHFFFAOYSA-N 280.287 2.633 0 1 CFAF Cn1c(O)nc2ccc(OCCc3ccccc3)cc21 1857583959 QENDLIVVTREGMW-UHFFFAOYSA-N 268.316 2.900 0 1 CFAF C[C@@H](c1cn2ccsc2n1)n1cc2[nH]cccc-2c1=O 1857610231 DPRCIQLZLPCFBH-VIFPVBQESA-N 284.344 2.600 0 1 CFAF CC(C)CCn1c(=O)c2c(O)n[nH]c2c2ccccc21 1645535 TWSDHTNMSNCEIY-UHFFFAOYSA-N 271.320 2.630 0 1 CFAF COc1cc(O)c([C@@H](OC)C(C)C)c(OC)c1OC 2356388013 NRAQAVITKFNEOG-LBPRGKRZSA-N 270.325 2.762 0 1 CFAF CCN(C)C[C@@H](C(=O)Nc1c(C)cccc1C)N(C)CC 26001844 JHHQNFSBAJYOSB-HNNXBMFYSA-N 291.439 2.514 0 1 CFAF Cc1cc(NC(=O)CCn2cccn2)c2ccccc2n1 20602885 NRDQLCIIZRIZDI-UHFFFAOYSA-N 280.331 2.769 0 1 CFAF CC(C)[C@H]1SC(Nc2ccc3[nH]ncc3c2)=NC1=O 28826753 ADIGBQPNAAISHL-LLVKDONJSA-N 274.349 2.629 0 1 CFAF CC(C)NC(=O)[C@@]1(C)CCN1Cc1cccc(Cl)c1 61903947 QABKQONEKZRENU-OAHLLOKOSA-N 280.799 2.829 0 3 CFAF COC(=O)C/C=C1\c2ccccc2C[C@H](OC)[C@@H]1C 66123722 MTUFSMLKZVHUGN-FAJIVVBTSA-N 260.333 2.840 0 1 CFAF Nc1cc([C@@H]2CCCNC2)nc2c(-c3cccs3)cnn12 60327538 WFRTXTYEVNAMFV-SNVBAGLBSA-N 299.403 2.507 0 1 CFAF Nc1nc(Cl)ncc1-c1c[nH]c2cccc(O)c12 72116548 KCSUXNDYSCZCHV-UHFFFAOYSA-N 260.684 2.566 0 1 CFAF COc1ccc(-c2c[nH]c3ccn4ccnc4c3c2=O)cc1 84617862 HLHUREYYDCTYQJ-UHFFFAOYSA-N 291.310 2.851 0 1 CFAF CC1=C[C@@H]2C[C@H]3C(=CC(=O)N3CC(=O)O)C(C)(C)[C@@H]2CC1 140509527 LJNIJQLVQNRHEK-BZPMIXESSA-N 289.375 2.611 0 1 CFAF CC(C)Oc1cncc(N2CC[C@]3(CCCN3C)C2)c1 230471838 KVSRTRCOWRKRQB-MRXNPFEDSA-N 275.396 2.543 0 1 CFAF in-vitro COC1=CC(c2ccc[nH]2)=N/C1=C/NCCC(C)C 238752992 OTWGLVDGDXPWNV-GXDHUFHOSA-N 259.353 2.825 0 1 CFAF C=Cn1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587392892 WWABYSDBFWUXPR-CQSZACIVSA-N 269.304 2.581 0 1 CFAF C[C@H](Sc1ncccn1)c1nc2cc(F)cnc2[nH]1 586960902 DCSVWGZOJUUOCB-ZETCQYMHSA-N 275.312 2.740 0 1 CFAF Brc1nccc2nc(CCOCC3CC3)[nH]c12 587784141 MMMKPCRGEYWSLM-UHFFFAOYSA-N 296.168 2.690 0 1 CFAF COc1cc2c3c(c1)O[C@]1(Cc4ccccc41)[C@@H](C2)C3=O 587446864 HEEYCKWICIFLDT-KSSFIOAISA-N 278.307 2.894 0 1 CFAF COc1cc2nc(CCc3ccccc3F)[nH]c2cn1 587149214 IELKGUIDISSQQI-UHFFFAOYSA-N 271.295 2.891 0 1 CFAF C[C@H](Cc1nc2cc(Cl)c(Cl)nc2[nH]1)N(C)C 587192303 TVUYDNMJPKOJRA-ZCFIWIBFSA-N 273.167 2.757 0 1 CFAF CCn1nccc1[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431184 JBGJDRLEYKLDFO-PXAZEXFGSA-N 298.342 2.574 0 1 CFAF C[C@@H](Cc1nc2c(Cl)cnc(Cl)c2[nH]1)N(C)C 587192647 YEZAUPNMQQQMDR-LURJTMIESA-N 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in-man Oc1ccc2c(c1)C[C@H]1Oc3cc(O)ccc3N=C21 12353741 BBAHLFZPNXNEGK-CQSZACIVSA-N 253.257 2.536 0 1 CFAF CC1=C[C@@H](C)[C@]2(CO)CO[C@H](c3cccnc3)[C@H]1[C@H]2C 13142792 ZIVNUWICSJWDPM-HSMRXVHUSA-N 273.376 2.980 0 1 CFAF CC[C@@H](C)CCNC(=O)OCCCc1c[nH]cn1 13793905 HGXALICWKOVEQW-LLVKDONJSA-N 253.346 2.505 0 1 CFAF COC(=O)[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1cccs1 100909211 ZLWKHMNSEAGVBX-VKOQCQMSSA-N 289.400 2.787 0 1 CFAF CCCC[n+]1cccc2c1CC[C@H]1CC[C@H](O)C[C@H]21 26261716 FVGWACKJRIODEP-YCPHGPKFSA-N 260.401 2.965 0 1 CFAF COc1cc2c(cc1OC)C(C)=[N+]([O-])[C@H](c1ccccn1)N2 100015655 RVIYHDFNQBIZOY-MRXNPFEDSA-N 299.330 2.542 0 1 CFAF CC(=O)O[C@@H]1CC[C@](C)(O)[C@@H]2C[C@](O)(C(C)C)CC[C@@]12C 2356747765 VWSRUUYZMKAPCQ-MTSZKFMLSA-N 298.423 2.656 0 1 CFAF CC(C)C(=O)N(Cc1ccc(F)cc1Cl)[C@H]1CCNC1 40407820 YRGCYAJUEHMWAR-ZDUSSCGKSA-N 298.789 2.826 0 1 CFAF O=C1C[C@H](C2=CC=C(O)CC2)Oc2cc(O)cc(O)c21 238770054 WGEYAGZBLYNDFV-CYBMUJFWSA-N 274.272 2.594 0 1 CFAF CC(=O)Oc1cccc2nc(-c3cscn3)[nH]c12 473135706 SMMBLUWOJVDEJI-UHFFFAOYSA-N 259.290 2.612 0 1 CFAF NCc1ccc2oc(=O)c(C(=O)Nc3ccccc3)cc2c1 653713035 OKEWCBIOICEUQB-UHFFFAOYSA-N 294.310 2.504 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](C1(C)COC1)CC2=O 587493117 RZLPPTZOSNJQLC-AWEZNQCLSA-N 276.332 2.715 0 1 CFAF Cc1c(NC(N)=O)cccc1-c1nc2cccc(O)c2[nH]1 587239552 LHNDZBKICDXGTK-UHFFFAOYSA-N 282.303 2.735 0 1 CFAF CN1C=CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587519338 ZHDXFBASJTUTQQ-SFHVURJKSA-N 297.354 2.645 0 1 CFAF Cc1nc(C)c(Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)s1 587011963 OSYMCDMOLMJLFK-UHFFFAOYSA-N 299.359 2.809 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc[nH]1)O2 587397999 ZRBIPTJCELEIQT-HNNXBMFYSA-N 256.305 2.786 0 1 CFAF Cc1[nH]c2cc(F)ccc2c1C(=O)c1cnn(C)c1 587635802 NITAFLKMDGIOBM-UHFFFAOYSA-N 257.268 2.580 0 1 CFAF CCOC(=O)[C@H]1CCc2c1nc1cccc3c1c2CC3 587214956 XPNOIFRACOLVFQ-ZDUSSCGKSA-N 267.328 2.926 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](C1CCNCC1)CC2=O 587487526 VYIVYHNANOCBPX-MRXNPFEDSA-N 289.375 2.678 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H]1CCCOC1)O2 587407152 AKKLNHIRYFORSM-BDJLRTHQSA-N 275.348 2.728 0 1 CFAF CCOc1ccccc1-c1nc(C[C@@H](N)N=O)c(C)o1 957756628 DWIYLOWFIJTSES-ZDUSSCGKSA-N 275.308 2.642 0 1 CFAF CCCC[C@]1(COC)NCCc2c1c(C(C)C)nn2C 962925329 YWWQFOJOKKCUGU-MRXNPFEDSA-N 279.428 2.721 0 1 CFAF CC(C)c1nn(C)c2c1[C@@]1(C[C@H]3[C@@H](C1)C3(C)C)NCC2 962915329 HLYXERBJRXXCDH-DPIQGUFMSA-N 273.424 2.951 0 1 CFAF CC[C@@H](C)[C@@]1(C(=O)O)NCCc2cc(C)c(F)cc21 962298442 MBNMCEMWTDHPAW-MEBBXXQBSA-N 265.328 2.606 0 1 CFAF C[C@H]1CCCC[C@@H]1NC(=O)Cn1cc2c(n1)CCCCC2 5148769 ZMUAOXACVACFQF-ZFWWWQNUSA-N 289.423 2.847 0 1 CFAF CCCOc1nccc(Nc2ccccc2C(=O)O)n1 14960231 NZLCVQSIEXQTHO-UHFFFAOYSA-N 273.292 2.707 0 1 CFAF in-vivo CC[C@H]1C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3 169366101 POIANFSUDFGZHE-HMHBUNFTSA-N 280.364 2.853 0 1 CFAF Cc1cc(C)c2c(CCC(=O)O)c(C(=O)O)[nH]c2c1 206143768 LLBKDARECQGKGU-UHFFFAOYSA-N 261.277 2.500 0 1 CFAF C[C@@](C(=O)O)(c1ccccc1)[C@]1(O)CC[C@@H](C)CC1 102736015 SDZZZXHNQQUDMW-VBNZEHGJSA-N 262.349 2.970 0 1 CFAF OCCCN1[C@H]2CC[C@H]1c1c([nH]c3ccc(F)cc13)C2 100753492 QJONDYJKMHCZCZ-NHYWBVRUSA-N 274.339 2.751 0 1 CFAF CC[C@@H](C)C(=O)C(=O)NCCc1c[nH]c2ccc(C)cc12 28766559 PSAGIHKZXKVZPD-GFCCVEGCSA-N 286.375 2.750 0 1 CFAF CCCCC[C@@]1(C2=NCCN2)Cc2ccccc2O1 27645260 BDBXIMFUYSLOAH-INIZCTEOSA-N 258.365 2.942 0 1 CFAF CCCC(=O)NCCc1cn(C)c2c(C)cc(OC)cc12 28815152 RJCPRDDJRCYLDA-UHFFFAOYSA-N 288.391 2.954 0 1 CFAF O=C1[C@@H](O)C[C@@]23CCCN1[C@H]2c1c([nH]c2ccccc12)CC3 2356418484 KLYJAYKJNHMFJX-ZVZYQTTQSA-N 296.370 2.529 0 1 CFAF CCN(CC)C(=O)c1c(-c2ccccc2)noc1[C@@H](C)O 2356530924 MDQLCTODQPXGIE-LLVKDONJSA-N 288.347 2.877 0 1 CFAF Cc1ccc(C)c(NC(=O)[C@]2(C)CCN2C(=O)C(C)C)c1 61927006 UIFWKGHRGCSUDL-KRWDZBQOSA-N 288.391 2.889 0 3 CFAF COc1c(Cc2ccccc2)oc2cc(O)cc(O)c2c1=O 2356827947 IQVVWOOUKHOEDD-UHFFFAOYSA-N 298.294 2.804 0 1 CFAF OC12C[C@@H]3CC(C[C@@H](C3)C1)N2Cc1ccc(F)cc1 72105055 FKKAECOHQYDEIW-YPXDRJKUSA-N 261.340 2.909 0 1 CFAF COc1ccc(C2=NO[C@](N)(c3ccc(OC)cc3)C2)cc1 31897413 BIHQFPNJOBFAJC-KRWDZBQOSA-N 298.342 2.640 0 1 CFAF COc1cc2c(cc1O)[C@@H](c1ccccc1)N(C(C)=O)CC2 40846191 PUYJSVIPJNCLCK-GOSISDBHSA-N 297.354 2.895 0 1 CFAF C[C@@]1(c2nc3ccccc3[nH]2)CCC(=O)N1C1CC1 199396570 SZFQTLRQPXXDCA-HNNXBMFYSA-N 255.321 2.563 0 3 CFAF CCNC(=O)c1c(O)nsc1Nc1ccc(C)cc1 40565419 LTMZLKWQPAFKRW-UHFFFAOYSA-N 277.349 2.650 0 1 CFAF Cc1ccc(CN2C(=O)CNC[C@@H]2Cc2ccccc2)cc1 43020730 HJFUQKSWWUHYAF-SFHVURJKSA-N 294.398 2.538 0 1 CFAF c1cc(Cn2cccn2)c2c(c1)[C@H](c1ncc[nH]1)CC2 40410959 QEOBEECUGHDWEL-OAHLLOKOSA-N 264.332 2.733 0 1 CFAF O=c1c2c([nH]n1-c1ccc(Cl)cc1)[C@@H]1CCC[C@@H]1N=C2 137031622 GSLDBWNPXFIQAV-YPMHNXCESA-N 287.750 2.888 0 1 CFAF CCOc1c(Cl)cnn(-c2cccc(C)c2)c1=O 45348971 NNFFCJXYDZLCHF-UHFFFAOYSA-N 264.712 2.593 0 1 CFAF COc1cc(O)c(CCC(=O)c2ccccc2)c(O)c1 238761438 YKQDHGLAIZBHEU-UHFFFAOYSA-N 272.300 2.922 0 1 CFAF COc1ccc2c(c1)-c1c(n(C)c3ccccc3c1=O)C2=O 473151516 PRKVTKMWQGQIBO-UHFFFAOYSA-N 291.306 2.759 0 1 CFAF OCCNc1snc2cc(-c3ccsc3)cnc12 299852927 ZMJZPQIYRUXZIX-UHFFFAOYSA-N 277.374 2.824 0 1 CFAF COc1cc(OC)c2[nH]c([C@H]3CC[C@@H](O)CC3)nc2c1 586899918 WKNPXDJLKQBNSC-AOOOYVTPSA-N 276.336 2.599 0 1 CFAF COc1nccc2nc(-c3occ4c3CCC4)[nH]c12 586905337 LJZSXPQGIMXCTO-UHFFFAOYSA-N 255.277 2.715 0 1 CFAF CCOCCOCc1nc2ccc(OC(C)C)cc2[nH]1 587779293 YIYGLBQVGWATJC-UHFFFAOYSA-N 278.352 2.903 0 1 CFAF CCc1ccc2nc(C[S@](=O)CC3CC3)[nH]c2c1 586958423 FXADDMFASXMEKJ-GOSISDBHSA-N 262.378 2.784 0 1 CFAF Fc1ccc2c(c1)-c1cc(n(C(=S)NC3CC3)n1)O2 587877188 ZQGKBUZUIRULTL-UHFFFAOYSA-N 275.308 2.680 0 1 CFAF COc1nccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c12 587089174 YYSQXMGIIGWNGW-QMMMGPOBSA-N 294.305 2.716 0 1 CFAF CCN(CC)C(=O)c1c(C)[nH]c2c(C(=O)O)cccc12 587638857 WRILFEHVXIFSOB-UHFFFAOYSA-N 274.320 2.657 0 1 CFAF CN1CCc2cnn(C)c2[C@@]1(C)C(F)(F)c1ccccc1 963955601 QTCNECIESFFULN-HNNXBMFYSA-N 291.345 2.915 0 1 CFAF FC(F)(F)c1ccc(-c2cn3ccnnc3n2)cc1 1857747414 HPWOCSVRUHNHOX-UHFFFAOYSA-N 264.210 2.810 0 1 CFAF O=C(Oc1ccccc1-n1c(O)ccc1O)c1ccco1 169690956 QYCYXNNHPVGKHK-UHFFFAOYSA-N 285.255 2.701 0 1 CFAF CN1CCO[C@](O)(c2ccc(/C=C/c3ccccc3)cc2)C1 1857750258 BNMKCGBRCPCKRC-UCFODXPJSA-N 295.382 2.964 0 1 CFAF CN(C)C[C@H](O)[C@@H](c1ccccc1)c1ccc(F)cc1 39245439 BOOFCMWAWAGGRA-IRXDYDNUSA-N 273.351 2.880 0 1 CFAF O=C1c2ccccc2CC[C@@H]1[C@H](O)c1ccccn1 2496967 KMUFRORPXFHGMY-BBRMVZONSA-N 253.301 2.560 0 3 CFAF Fc1cccc(Cn2[nH]cc3nc(-c4cccnc4)nc2-3)c1 103584291 GCUODJIXGDGXLW-UHFFFAOYSA-N 293.305 2.960 0 1 CFAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1cc3ccccc3[nH]1)O2 101501173 KOKBPPDCKPRXAM-VZAMPYOESA-N 285.343 2.992 0 1 CFAF CCC(=O)OCc1c(-c2ccncc2)csc1N 101743013 XLFJXZUETURDFY-UHFFFAOYSA-N 262.334 2.846 0 1 CFAF CC(C)=CCC[C@]1(C)Oc2ccc(C(N)=O)cc2C[C@@H]1O 2356341309 LIJVEWSHDPKZMX-RDJZCZTQSA-N 289.375 2.586 0 1 CFAF FC(F)(F)c1cccc(-c2nccc3ncnn23)c1 28240423 XLBHIWRWQVWOAA-UHFFFAOYSA-N 264.210 2.810 0 1 CFAF CC(=O)Nc1cccc(-c2cc(-n3cc(C)cn3)ncn2)c1 32593086 JGDWRSQBRGZSBC-UHFFFAOYSA-N 293.330 2.596 0 1 CFAF CC=CCc1c(OCC)c2cccc(O)c2n(C)c1=O 2356517046 UWIULCYKVGIOPW-UHFFFAOYSA-N 273.332 2.761 0 1 CFAF COc1ccc(N(C)c2nc(C)nc3c2C[C@H](C)N3)cc1 64447142 GDTLDUGKYFVRLI-JTQLQIEISA-N 284.363 2.918 0 1 CFAF CC(C)(O)[C@@H]1CC[C@](C)(O)[C@]2(C)CC[C@](C)(O)[C@]2(C)C1 2356792581 JWJOVQPNPYQUDW-MNLARUNXSA-N 284.440 2.866 0 1 CFAF Cc1nn2c(-c3nc(C(C)C)cs3)nnc2s1 64448593 UIKMPMMDMXGSAS-UHFFFAOYSA-N 265.367 2.741 0 1 CFAF CCOC(=O)c1c[nH]c2ncnc(-c3cccc(O)c3)c12 225212832 AIQGIEYNEKMKSN-UHFFFAOYSA-N 283.287 2.507 0 1 CFAF O=C1OC[C@H](Cc2ccccc2)[C@H]1Cc1cccc(O)c1 49112527 RLFABAIDHKVKQV-DOTOQJQBSA-N 282.339 2.967 0 1 CFAF CC(C)(O)c1cncc(-n2ncc3ccccc32)c1 221352396 FZQLGCPRGYINCR-UHFFFAOYSA-N 253.305 2.648 0 1 CFAF C[C@@H]1CN(c2ccccn2)CCN1C(=O)C1CCCCC1 96272444 QGPFHBIAXJIIBS-CQSZACIVSA-N 287.407 2.699 0 1 CFAF COc1ccc2c(=O)cc(Cc3cccnc3)oc2c1 653702432 PDDFVUAMNUBBPB-UHFFFAOYSA-N 267.284 2.787 0 1 CFAF COC(=O)[C@H](C)c1c(C)nc2cccc3c2c1CC3 587212979 DQDCUFRGHDGIKU-SECBINFHSA-N 255.317 2.918 0 1 CFAF C[C@@H](Oc1ccccc1)c1ccc2c(O)nc(O)nc2n1 587556787 ZMQQXQVPIPHQKO-SECBINFHSA-N 283.287 2.576 0 1 CFAF CC(C)(Cl)c1nc2cc3c(cc2[nH]1)OCCO3 587009144 XEWMLRRGDUOZME-UHFFFAOYSA-N 252.701 2.808 0 1 CFAF CCc1nc2nc(O)nc(O)c2cc1CCC(C)C 587560876 IAUHNTVYRLORFC-UHFFFAOYSA-N 261.325 2.587 0 1 CFAF O=c1c2cc(Cl)ccc2cnn1-c1ccc(C2CC2)nn1 587652364 CSHCDZPBBSKWRQ-UHFFFAOYSA-N 298.733 2.707 0 1 CFAF Fc1ccc2c(c1)-c1cc(n(Cc3cnccn3)n1)O2 587875044 MGFNDVZRSOZUQG-UHFFFAOYSA-N 268.251 2.633 0 1 CFAF COc1cc2nc(C[C@H](C)CCC(=O)O)[nH]c2cc1C 587963191 QFROANSKUUWUOU-SECBINFHSA-N 276.336 2.923 0 1 CFAF COc1cc(-c2nc3cccc(O)c3[nH]2)cc(OC)c1O 587786486 UQWYIHMNFUMQNT-UHFFFAOYSA-N 286.287 2.658 0 1 CFAF CCc1ccccc1NC(=O)c1nc2ccncc2[nH]1 587240572 FVSWDNACXGMWMA-UHFFFAOYSA-N 266.304 2.773 0 1 CFAF Oc1nc(O)c2ccc(CCSc3ccccc3)nc2n1 587562574 GEOXPGPWFKISRI-UHFFFAOYSA-N 299.355 2.771 0 1 CFAF CC(C)c1nn(C)c2c1[C@H](c1cccc(F)c1)NCC2 962918387 IPOLOLGGGDMVHR-INIZCTEOSA-N 273.355 2.918 0 1 CFAF O=c1c(-c2ccccc2)c[nH]c2c(-c3cccnc3)cnn12 1772628738 QUGNVKDDYRUXHR-UHFFFAOYSA-N 288.310 2.752 0 1 CFAF COc1ccc([C@H]2CC(=O)c3cc(O)ccc3O2)cc1O 14806266 XAKUGDJGEOYRCM-MRXNPFEDSA-N 286.283 2.813 0 1 CFAF CCOC(=O)c1c(C)c2c(n1C)CCC[C@@H]2N=O 169691801 AQDBUAISBPBYEQ-VIFPVBQESA-N 250.298 2.654 0 1 CFAF CCNC(=O)c1ccc(NCc2ccc(F)cc2)cn1 29213188 OKTBVWZCQLGAIU-UHFFFAOYSA-N 273.311 2.583 0 1 CFAF C=CCc1cccc(C=O)c1OCCN(CC)CC 2009024 VZEZONWRBFJJMZ-UHFFFAOYSA-N 261.365 2.948 0 1 CFAF in-vitro CC[C@@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(C)nc3n2)C1 3955077 LAZNUJPQOBCGAF-CMPLNLGQSA-N 286.379 2.641 0 1 CFAF CCOc1ccc(NC(=O)c2ccccc2CO)cc1 4035674 ARAJZPPGAUPOAZ-UHFFFAOYSA-N 271.316 2.830 0 3 CFAF Oc1cc2c3c(c1)Cc1ccccc1C[C@@H]3NCC2 29041725 ZCATUTKNMGBMKU-INIZCTEOSA-N 251.329 2.726 0 1 CFAF in-vivo Cc1nc2c(c(N(C)c3ccccc3)n1)C[C@@H](C)N2 64448340 LYCQIHRYNIKVST-SNVBAGLBSA-N 254.337 2.909 0 1 CFAF O=C(Nc1ccccc1)C1=COc2ccc(O)cc2O1 27303360 UYZDXSOFDNLXSJ-UHFFFAOYSA-N 269.256 2.644 0 1 CFAF COc1cc2c3c(c1O)C(=O)O[C@@H]3[C@@H](C(C)C)CC2 2356499812 KOVUJUAMDOMNJU-YMTOWFKASA-N 262.305 2.831 0 1 CFAF Cc1cc([C@H]2C[C@@H](O)c3c(O)cc(O)cc3O2)ccc1O 2356582747 VSTNKEFYHIVZJZ-ZIAGYGMSSA-N 288.299 2.669 0 1 CFAF Nc1nc(C(=O)c2cccs2)c2sccc2n1 29049955 HUVSXFBXVUJVPQ-UHFFFAOYSA-N 261.331 2.566 0 1 CFAF O=C1Nc2ccccc2[C@]12CCCN(Cc1ccncc1)C2 72171433 WAMBQOJJNFJIIA-GOSISDBHSA-N 293.370 2.568 0 1 CFAF CCOC(=O)c1nc2sc(CC(C)C)c(C)c2c(=O)o1 39240739 HVINSIGVFVRCNJ-UHFFFAOYSA-N 295.360 2.933 0 1 CFAF CN1CCO[C@](O)(c2ccc(-c3ccc(F)cc3)cc2)C1 40431287 CEPSRYUIZLWMHN-KRWDZBQOSA-N 287.334 2.600 0 1 CFAF CN1C(=O)[C@H]2O[C@@H](c3ccccc3)[C@H]1[C@@H]2c1ccccc1 257526593 QVGJMLNUOQHRAS-YVSFHVDLSA-N 279.339 2.751 0 1 CFAF endogenous,in-man CN(CCc1ccccn1)[C@@H]1[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42 299845760 YLVXPEMITKSDOS-SODBBKGISA-N 280.415 2.702 0 1 CFAF O=C1C[C@H](c2ccc(O)cc2O)Oc2ccccc21 653762914 FVRHKBWJCANFEG-OAHLLOKOSA-N 256.257 2.804 0 1 CFAF COC(=O)Nc1ccc(-c2nc3cnc(OC)cc3[nH]2)cc1 587243220 GMCRNPUVEBOBNN-UHFFFAOYSA-N 298.302 2.812 0 1 CFAF Cc1cncc2nc([C@H](C)n3cc(Cl)cn3)[nH]c12 587081524 BMFNJBDNGDYYLB-QMMMGPOBSA-N 261.716 2.726 0 1 CFAF O=C(O)/C=C/C=C/c1nc2cnc(C(F)(F)F)cc2[nH]1 587967003 FTMXVLJILTUFDN-ZPUQHVIOSA-N 283.209 2.631 0 1 CFAF C[C@H]1CCO[C@H](c2nc3ccc(C(=O)N(C)C)cc3[nH]2)C1 586916797 DPHYXMKXHQGHDE-HZMBPMFUSA-N 287.363 2.752 0 1 CFAF CC(C)(CO)[C@@H](O)c1nc2cc(Cl)c(Cl)cc2[nH]1 586902015 VQUCCCMJYUULRR-JTQLQIEISA-N 289.162 2.922 0 1 CFAF C[C@@]1(c2ccc(C=O)cc2)NCCc2ccc(O)cc21 963328481 GMICNGKDCQSVPM-KRWDZBQOSA-N 267.328 2.614 0 1 CFAF Cc1c(F)ccc2c1[C@@]1(CCC[C@H]1CN(C)C)NCC2 962141105 BEZLZRIOXIEYQT-YOEHRIQHSA-N 276.399 2.837 0 1 CFAF Cc1ccsc1[C@@H](O)c1nnc(N2CCCCC2)s1 1857583085 FPTGREYGKAONHT-SNVBAGLBSA-N 295.433 2.980 0 1 CFAF O=c1oc(-c2ccccc2O)cc2cc3c(c(O)c12)OCO3 1772634560 JDDYMHPQCZSMAW-UHFFFAOYSA-N 298.250 2.600 0 1 CFAF O[C@@H]1C[C@H]2CCCN(CCc3c1[nH]c1ccccc31)C2 5922546 RKGINSSVMLCQKI-MLGOLLRUSA-N 270.376 2.860 0 1 CFAF CCCC1(CCC)C(=O)OC[C@H]1NC(=O)c1ccccc1 13558766 DCOUVEISPQRTSA-CQSZACIVSA-N 289.375 2.928 0 1 CFAF O=C1CCC[C@@H]2C[C@H](N3CCCCC3)C[C@@H]3CCN1[C@@H]32 13813519 SXFMUDRGNYBVAO-WBTNSWJXSA-N 276.424 2.652 0 3 CFAF Cc1coc2c1[C@@H](O)[C@@]1(C)[C@@H](C)CCC[C@@]1(O)C2 15220667 NEEFWFDZIRSXDP-CJYSPXJISA-N 250.338 2.735 0 1 CFAF biogenic,in-vitro CC1=C[C@@H]2C[C@H]3C(=CC(=O)N3CC(=O)O)C(C)(C)[C@H]2CC1 2356429923 LJNIJQLVQNRHEK-DYEKYZERSA-N 289.375 2.611 0 1 CFAF CC(C)C[C@@H](C(N)=O)C1=NC(C)(C)Cc2ccccc21 3868789 SIQDYWFHJMGTJM-CQSZACIVSA-N 272.392 2.958 0 1 CFAF COc1ccc(-c2cc(O)oc3nnc(C)c2-3)cc1 103530482 GZKHBVDPFDOQSN-UHFFFAOYSA-N 256.261 2.864 0 1 CFAF CCSCC(C)(C)n1[nH]c2ccccc2c1=O 104154597 OHRKOWRVNYKISA-UHFFFAOYSA-N 250.367 2.818 0 3 CFAF O=C(O)C(=O)CC(=O)c1ccc(-c2ccc(Cl)cc2)o1 28363691 DLIFOYWFFOECPC-UHFFFAOYSA-N 292.674 2.827 0 1 CFAF Cc1ccc(CN2CCC[C@]2(C)C(=O)NC(C)C)cc1 61902799 CQNHQWFWFOREAH-QGZVFWFLSA-N 274.408 2.874 0 3 CFAF CC(C)N1C(=O)S/C(=C\c2ccc(C(=O)O)cc2)C1=O 33558969 MRMZONCHWLBGQL-XFFZJAGNSA-N 291.328 2.830 0 1 CFAF COn1cc2c3c(cccc31)[C@@H]1C=C(C)CN(C)[C@@H]1C2 4391806 OZXRMPYHEDZXHW-GOEBONIOSA-N 268.360 2.600 0 1 CFAF biogenic CCCCCCOC(=O)CCCCCN1C(=O)CCC1=O 84710541 CHOZRIJIKZNYKE-UHFFFAOYSA-N 297.395 2.819 0 1 CFAF COc1ccccc1-c1cncc2sc(C(N)=O)c(N)c12 621431216 IKQDSYPRHDXVAQ-UHFFFAOYSA-N 299.355 2.653 0 1 CFAF O=C1C[C@H](c2cc(O)ncn2)Oc2c1ccc1c2CCCC1 587514061 GBGOICZYNGVPKT-OAHLLOKOSA-N 296.326 2.768 0 1 CFAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)C(F)(F)F 587637536 CFINUQBYGWPBBR-UHFFFAOYSA-N 271.194 2.920 0 1 CFAF NC(=O)c1cccc2nc(-c3ccoc3C3CC3)[nH]c12 586900664 CXJLPJABWWKEQP-UHFFFAOYSA-N 267.288 2.799 0 1 CFAF C[C@H]1CCO[C@H](c2nc3nc(Br)c[nH]c-3n2)C1 586916745 DAZJZHJORXQVSA-BQBZGAKWSA-N 297.156 2.555 0 1 CFAF Fc1nc(Cl)ccc1-c1nc2c(Cl)ncnc2[nH]1 587177168 ARVSRMVHJWTLHM-UHFFFAOYSA-N 284.081 2.861 0 1 CFAF COc1ccc2[nH]c(-c3ccc(NC(N)=O)cc3)nc2c1 587243059 CMVBHNTXIXCYFE-UHFFFAOYSA-N 282.303 2.729 0 1 CFAF O=C1CSc2ccc(-c3nc4ccc(O)cc4[nH]3)cc2N1 587044389 VJDHZGVNNXYMNL-UHFFFAOYSA-N 297.339 2.980 0 1 CFAF OCc1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1 587031379 FTJXQBCANMDVRQ-UHFFFAOYSA-N 286.356 2.856 0 1 CFAF COc1cccc(C)c1-c1nc2cccc(C(N)=O)c2[nH]1 587785428 AMYQWPBYUGHXQV-UHFFFAOYSA-N 281.315 2.646 0 1 CFAF COc1cccnc1[C@]1(C)NCCc2cc(C)c(F)cc21 962375477 NOKPTSSGIBAZGJ-QGZVFWFLSA-N 286.350 2.947 0 1 CFAF NC(=S)c1cccc(-c2cccc3[nH]ccc23)n1 1857614374 HQUYLEAFCBXNLT-UHFFFAOYSA-N 253.330 2.864 0 1 CFAF C=COC(=O)N1[C@H]2CCC[C@@](Cl)(C(C)=O)[C@@H]1CC2 5850184 BEOIGTMHOGUMPJ-GMXVVIOVSA-N 271.744 2.850 0 1 CFAF CC(=O)Nc1ncc(SCc2ccccn2)s1 13490959 QBIJITXIGVYJRO-UHFFFAOYSA-N 265.363 2.789 0 1 CFAF S=C(NCCCCc1c[nH]cn1)Nc1ccccc1 13741803 JDTKBTSWGFZPBV-UHFFFAOYSA-N 274.393 2.719 0 1 CFAF O=c1c2oc3ccc(Cl)cc3c2nc2n1CCS2 2601986 NMKDZXQWNRFBFK-UHFFFAOYSA-N 278.720 2.902 0 1 CFAF N=C(NCCCCCN1CCCC1)NCC1CCCCC1 3981387 RBGVDMBCRCCVQD-UHFFFAOYSA-N 294.487 2.947 0 1 CFAF Cc1ccc(-c2ccc3nc(N)nc(N)c3c2)cc1 58632672 NTHVHSAKVYNNGQ-UHFFFAOYSA-N 250.305 2.770 0 1 CFAF in-vitro O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2)c1cnc2ccccc2c1 103235773 FHSVLLCILJZHDD-FICVDOATSA-N 282.343 2.675 0 1 CFAF CN(C)CCN1CC[C@H](C2C3CC4CC(C3)CC2C4)C1 26267540 BIWRXSBRVYMAOD-WUAWYGOHSA-N 276.468 2.942 0 1 CFAF CC(C)[C@@]1(C)OC(NC23CC4CC(CC(C4)C2)C3)=NC1=O 28823999 SXUNWRASWMFUHH-XPSVCEGCSA-N 290.407 2.872 0 1 CFAF C[C@@H]1C(=O)Nc2cc3nc(-c4cccnc4)[nH]c3cc21 28755149 SZLNLLUGJTVTCX-QMMMGPOBSA-N 264.288 2.681 0 1 CFAF CO[C@@H]1OC[C@@H]2C(=O)[C@@H]3CC(C)(C)C[C@@H]3[C@@]3(C)C[C@]123 2356686189 WDZQKXZDBJTSQX-UTYHAWIYSA-N 264.365 2.637 0 1 CFAF CC(=O)c1cccc(-c2cc3nc(N)nc(N)c3cc2C)c1 72116214 OCMSAMCSELNFPL-UHFFFAOYSA-N 292.342 2.972 0 1 CFAF in-vitro Cc1ccc(N2CCC([C@@H](O)Cc3ccccc3)CC2)nn1 32541461 SFAMDNODPYQGBB-KRWDZBQOSA-N 297.402 2.605 0 1 CFAF CC1=N/C(=C\c2cccc(Br)c2)C(=O)N1C 98208366 GMGJCAXSTZCSRA-XFFZJAGNSA-N 279.137 2.680 0 1 CFAF in-vitro O=C(c1ccc(O)cc1)c1cc2ccccc2oc1=O 96916897 WQAALHJXDQWKFI-UHFFFAOYSA-N 266.252 2.730 0 1 CFAF CCOC(=O)[C@@H]1[C@H]2Cc3c(nc4cccc5c4c3CC5)[C@H]21 587215045 ZMYSBQAIDOROSE-APHBMKBZSA-N 279.339 2.782 0 1 CFAF Nc1ccc(/C=C\c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 587251667 KRFXDQZJPZFYLF-UTCJRWHESA-N 291.314 2.897 0 1 CFAF COc1cc(C2(c3nc4ncc[nH]c-4n3)CC2)ccc1C 587925729 CTIUKOCBVONKMX-UHFFFAOYSA-N 280.331 2.701 0 1 CFAF CCCOc1cccc(Cc2nc3ncc[nH]c-3n2)c1 587779234 WJOJNQMYGHBAQS-UHFFFAOYSA-N 268.320 2.684 0 1 CFAF COc1cc2nc(C3CCC(N)CC3)[nH]c2cc1F 587257066 YLGYRNMYJODTHD-UHFFFAOYSA-N 263.316 2.696 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccncc1C)[C@@H](C2)C3=O 587437088 WPAOHSRCLXLVFW-SUMWQHHRSA-N 281.311 2.887 0 1 CFAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)C(=O)OC 963244895 XOXQIVFCJXRHFQ-WBMJQRKESA-N 261.365 2.731 0 1 CFAF COc1ccccc1-c1ccc2c(c1)CNC(=N)N2 1857750368 IZODILXNPWYNQS-UHFFFAOYSA-N 253.305 2.812 0 1 CFAF C=CC(=O)Nc1cccc(-c2nc[nH]c3nccc2-3)c1 1772620146 FFMBRNVTWGVDHP-UHFFFAOYSA-N 264.288 2.701 0 1 CFAF Nc1ncc(-c2ccoc2)cc1C(=O)Nc1ccncc1 150153037 GJVSHKMQEGTVTJ-UHFFFAOYSA-N 280.287 2.571 0 1 CFAF O=c1[nH]c2cc(Cl)ccc2c(O)c(-c2ccccc2)c1=O 19328 KECVBGHRCDIRLT-UHFFFAOYSA-N 299.713 2.914 0 1 CFAF C[C@H]1C(=O)CC[C@@]2(C)CC[C@@H]3[C@@H](C)C(=O)O[C@H]3[C@@H]12 3895654 BXRGGUXPWTWACZ-MQZZPCAJSA-N 250.338 2.579 0 1 CFAF in-man O[C@H]1c2[nH]c3ccccc3c2CCN2CCCC[C@H]12 6004835 LOTZCVIDSNBKKE-GDBMZVCRSA-N 256.349 2.612 0 1 CFAF N[C@H](CCCCSc1cc(Cl)ccc1O)C(=O)O 26018595 IMKODUFTWGCPKD-SECBINFHSA-N 289.784 2.720 0 1 CFAF CNC(=O)[C@H]1CCc2cccc3c4c(n1c23)CCCC4 28101859 RUJGZBNRTYJQJC-OAHLLOKOSA-N 268.360 2.753 0 1 CFAF CO[C@@H]1C=C(CCC=C(C)[C@@H](O)CC=C(C)C)C(=O)O1 2356464451 KWJDQWGBHWFRJA-GJZGRUSLSA-N 280.364 2.886 0 1 CFAF CCCC[n+]1cccc2c1CC[C@H]1CC[C@@H](O)C[C@H]21 26261725 FVGWACKJRIODEP-FMKPAKJESA-N 260.401 2.965 0 1 CFAF CCOCCCC[C@]1(O)C2=NCCCN2c2ccccc21 34243247 FASZWEOCNIVHLU-QGZVFWFLSA-N 288.391 2.703 0 1 CFAF C/C1=C\CC[C@H](C)[C@@H](C)OC(=O)/C=C/[C@](C)(O)CC[C@@H]1O 34401309 IDGNDQYOCKRQMV-WMZCOYIESA-N 296.407 2.743 0 1 CFAF COc1c(O)cc2c3c1-c1ccccc1C[C@H]3N(C=O)CC2 144783379 ZHLISMCEGCAYID-CQSZACIVSA-N 295.338 2.680 0 1 CFAF O=C(CCCCCCCC[C@H]1C=CCC1)OC[C@@H](O)CO 95564093 UZRAFOVPRMUAFS-HOTGVXAUSA-N 298.423 2.970 0 1 CFAF Fc1cc(F)c2[nH]c(-c3cnc(Cl)nc3)nc2c1 587085929 OWXSFGXKFKGFMQ-UHFFFAOYSA-N 266.638 2.952 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@]3(C)O[C@H]13)O2 587406561 CJPIWUUKSHUORE-XHSDSOJGSA-N 273.332 2.623 0 1 CFAF CC[C@@H]1OCCC[C@@H]1c1nc2ccnc(OC)c2[nH]1 586909465 FBCSQYSZRWEXFL-ONGXEEELSA-N 261.325 2.639 0 1 CFAF CC[C@H]1OCCC[C@@H]1c1nc2cncc(OC)c2[nH]1 586912766 PFEGGRYNWQTTCQ-GXSJLCMTSA-N 261.325 2.639 0 1 CFAF CN(C)C(=S)n1nc2cc1Oc1ccc(F)cc1-2 587875380 DLXBSOGDBRZTPK-UHFFFAOYSA-N 263.297 2.490 0 1 CFAF CO[C@@H]1CCC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 587404367 WWGGXBXACLWRGH-BZNIZROVSA-N 275.348 2.870 0 1 CFAF COc1nccc2[nH]c(-c3oc4c(c3C)[C@H](O)CCC4)nc12 586903507 KVOOCWZYUWSINI-SNVBAGLBSA-N 299.330 2.905 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cnc(C)s1)[C@@H](C2)C3=O 587448748 BWDZBYBHMFYTND-ZUZCIYMTSA-N 287.340 2.949 0 1 CFAF C=CC(=O)Nc1ccc(-c2nc3c(OC)nccc3[nH]2)cc1 587244694 RRCZNVCZSIFOIN-UHFFFAOYSA-N 294.314 2.758 0 1 CFAF CCn1nccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587391897 PEABMLFFKZQZGD-AWEZNQCLSA-N 271.320 2.500 0 1 CFAF Nc1cc2nc(CCc3ccccc3F)[nH]c2cc1N 587149797 LEONFRKJQWPIJK-UHFFFAOYSA-N 270.311 2.652 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnccc1N(C)C)O2 587385831 FGBNCULUEPUDRZ-INIZCTEOSA-N 297.358 2.745 0 1 CFAF Cc1c(F)ccc2c1[C@](C)(c1ccc(N)nc1)NCC2 962093922 RYPKNTZSSHUYNN-INIZCTEOSA-N 271.339 2.521 0 1 CFAF C[C@@H](C(=O)O)c1ccc2cc([S@@](C)=O)ccc2c1 1857571746 WSORMMUWTNPYQP-DYBLOJMWSA-N 262.330 2.765 0 1 CFAF CCCO[C@@H](Cn1cncn1)c1ccc(F)cc1F 1857764299 JSWUDQICXWQQFI-ZDUSSCGKSA-N 267.279 2.724 0 1 CFAF O=C1C[C@H](c2cccc3ccc(Cl)cc23)C(=O)N1 1772598757 ASDZSOIHNZDMMA-GFCCVEGCSA-N 259.692 2.623 0 1 CFAF Cc1ccc(C(=O)NC[C@H]2c3ccccc3CCN2C)cc1 1772588208 WZWSGIKJEHXDIO-SFHVURJKSA-N 294.398 2.954 0 1 CFAF CCCCNc1nc(N)nc(C)c1CCCN1CCCC1 1772621349 DFMSORJNUNCLLC-UHFFFAOYSA-N 291.443 2.608 0 1 CFAF OCCOCn1c(Cl)nc2cc(Cl)c(Cl)cc21 5932803 ZZHNZKCCOLGBRW-UHFFFAOYSA-N 295.553 2.963 0 1 CFAF CC1=CC[C@]2(CO)CO[C@H](c3ccc(O)cc3)[C@H]1C2 13643322 XXIFNRNIQJKFLP-XHSDSOJGSA-N 260.333 2.799 0 1 CFAF in-vivo O[C@@]1(c2cnc(-c3ccccc3)s2)CN2CCC1CC2 13757126 SNASVDOFDIWZIJ-INIZCTEOSA-N 286.400 2.723 0 1 CFAF COc1c(C)c(O)cc(C)c1C[C@@H](C)C(=O)C[C@H](C)O 14719564 OQJDVTONDORMQG-MNOVXSKESA-N 280.364 2.536 0 1 CFAF CCC[C@H]1C(C(=O)OCC)=C(C)N=C(C)[C@H]1C(=O)OC 169714771 ZRKHGRYEMRYQCJ-VXGBXAGGSA-N 281.352 2.504 0 1 CFAF O=C(/C=C/c1cccc(C(F)(F)F)c1)NC1CC1 5785001 HQAQWHHPDKFGLV-QPJJXVBHSA-N 255.239 2.997 0 1 CFAF O=C(C[C@H](Cc1ccccc1)C(=O)O)NC1CCCCC1 351315 AINGTUIEGSYZKD-AWEZNQCLSA-N 289.375 2.769 0 1 CFAF Cc1ccc(COc2cccc3nc(N)nc(N)c23)cc1 1040838 XITJNLVILSJJHU-UHFFFAOYSA-N 280.331 2.682 0 1 CFAF in-vitro C[C@H]1CN2C(=O)c3ccccc3[C@]2(c2ccccc2)O1 6495169 MRZJCUSMOAGLGY-SJCJKPOMSA-N 265.312 2.762 0 1 CFAF COc1ccc(C2=NC(C)(C)C(C)(C)N2[O])cc1OC 101088254 SBLGVZFXQQNLGX-UHFFFAOYSA-N 277.344 2.669 0 1 CFAF CC(C)CN1C(=O)/C(=C/C(=O)O)c2cccc(Cl)c21 49034587 LSEUESVRZGAHFX-UXBLZVDNSA-N 279.723 2.811 0 1 CFAF CCCN(CCC)[C@@H]1Cc2cc(O)c(OC)cc2C1 40466913 LHVGOCJMWFMGFU-CQSZACIVSA-N 263.381 2.990 0 1 CFAF O=C1C(c2ccccc2)=C(c2ccco2)C[C@H]2C[C@@H](O)CN12 96915248 DXTTUOROAIKTLX-ZIAGYGMSSA-N 295.338 2.556 0 1 CFAF CCO[C@@]12C[C@H]3CCC[C@H](C)[C@@]3(C)[C@H](O)C1=C(C)C(=O)O2 238731008 YVOOVMQQAQCZEN-TZNZZTCVSA-N 294.391 2.800 0 1 CFAF NC(=O)c1ccccc1Nc1cccc(CCC(=O)O)c1 95578238 RNPZEGOIMSEILR-UHFFFAOYSA-N 284.315 2.546 0 1 CFAF CC(C)C(=O)N1CCCn2nc(COc3ccccc3)cc21 473150540 MFNVTAZNELNQEZ-UHFFFAOYSA-N 299.374 2.855 0 1 CFAF COc1cccc([C@@H]2N(C)Cc3cc(O)ccc3N2C)c1 653737490 LZMLZSIFIQDHKO-QGZVFWFLSA-N 284.359 2.981 0 1 CFAF CC[C@@H]1CC[C@H](C)c2cc3c(O)nc(O)nc3nc21 587561815 MFJCIKFXPGGSAR-JGVFFNPUSA-N 259.309 2.827 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc[nH]c1)O2 587396786 PHFGUYJXFJURIG-HNNXBMFYSA-N 256.305 2.786 0 1 CFAF C[C@H](N=O)[C@@]1(c2ccccc2)NCCc2ccc(O)cc21 963352623 MQDWWYYGDUUDDM-SJCJKPOMSA-N 282.343 2.936 0 1 CFAF C[C@H]1C[C@H]2CSC(=N)N[C@@]2(c2ccsc2)CO1 1857646574 MBYUXUMDDRLYIE-PTOFAABTSA-N 268.407 2.640 0 1 CFAF c1ccc(Nc2cc3nc(-c4cnccn4)[nH]c3cn2)nc1 1857762810 CCGVUFZKYBJTEO-UHFFFAOYSA-N 289.302 2.554 0 1 CFAF Cn1cccc1-c1c(O)[nH]c2cc(Cl)ccc2c1=O 13775713 SQYUOIVCSDEVMM-UHFFFAOYSA-N 274.707 2.893 0 1 CFAF C1=C(c2ccccc2)N=C2N=NNN2[C@H]1c1ccco1 222790 PTOHSDHWNBSZLT-GFCCVEGCSA-N 265.276 2.919 0 1 CFAF Clc1ccc(-n2ncnc2-c2ccncc2)cc1 766474 VMNMHVIDCDKYQX-UHFFFAOYSA-N 256.696 2.983 0 1 CFAF COC(=O)[C@H]1[C@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C 3629895 QUSLQENMLDRCTO-XQLPTFJDSA-N 277.339 2.565 0 1 CFAF CCOC(=O)c1cc(N)c2c(c1)NCC(c1ccccc1)=N2 26822853 XUCLQJDIMSSXTC-UHFFFAOYSA-N 295.342 2.992 0 1 CFAF C[C@H](c1ccc(O)cc1)[C@H](O)c1cc(O)cc(O)c1 2356673209 JAZXHWIGGFTZDU-PSLIRLAXSA-N 260.289 2.641 0 1 CFAF C[C@]1(CO)CCC[C@]2(C)c3ccccc3[C@@H](CO)[C@H]12 2356698990 YRTXVWCUOFUWAY-MWQQHZPXSA-N 260.377 2.833 0 1 CFAF C(=C1/CN2CCC1CC2)\c1ccc(C2OCCO2)cc1 40404068 XVNXKIXYFBYGNP-WJDWOHSUSA-N 271.360 2.841 0 1 CFAF CN1CCC[C@H]1COC(=O)c1ccc(Cl)cc1 96269682 SITVIGRZUIUBEV-LBPRGKRZSA-N 253.729 2.591 0 1 CFAF CN1Cc2ccccc2N(C)c2nc(Cl)ncc21 299860565 GTTQBEOCGGQQFV-UHFFFAOYSA-N 260.728 2.848 0 1 CFAF O=C(O)c1cc2c(s1)-c1cccc(F)c1S(=O)(=O)C2 653690542 XVYUSQYWBHVTBV-UHFFFAOYSA-N 298.316 2.540 0 1 CFAF Oc1ncnc2[nH]c(-c3ccc(C(F)(F)F)cc3F)nc12 587110147 UJTBMWAOKCXNCK-UHFFFAOYSA-N 298.199 2.883 0 1 CFAF COC(=O)c1ccc2nc(/C=C/c3ccsc3)[nH]c2n1 587025689 MOYGSOGMVMOQHA-GORDUTHDSA-N 285.328 2.976 0 1 CFAF COc1cccnc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587394723 ZLFSBDSVULLPSD-CQSZACIVSA-N 284.315 2.687 0 1 CFAF Cc1c(-c2nc3ccncc3[nH]2)oc2c1[C@@H](O)CCC2 586904640 XDEURQFYVQEENK-NSHDSACASA-N 269.304 2.896 0 1 CFAF O=C1CCC[C@H](c2nc3ccc(CO)cc3[nH]2)CC1 586884787 IXGUJGIWBXCKNX-NSHDSACASA-N 258.321 2.672 0 1 CFAF COc1c(C)cc(-c2ccc3c(O)nc(O)nc3n2)cc1C 587559760 NMQHVSPCQLERJH-UHFFFAOYSA-N 297.314 2.728 0 1 CFAF CSCC(C)(C)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586968398 CTVPDCGFTKMVIN-UHFFFAOYSA-N 298.433 2.607 0 1 CFAF COC(=O)Nc1ccc(-c2nc3c(O)nccc3[nH]2)cc1 587243763 QDIZCRACTYTAPA-UHFFFAOYSA-N 284.275 2.509 0 1 CFAF Oc1nc(O)c2ccc(Cc3cccc(Cl)c3)nc2n1 587368859 QBCSORKYYVSRAB-UHFFFAOYSA-N 287.706 2.680 0 1 CFAF CSCC(C)(C)c1nc2cc3nc(O)[nH]c3cc2[nH]1 586969504 UBKMFFIEAPVAQB-UHFFFAOYSA-N 276.365 2.785 0 1 CFAF CNc1cc(Cl)ccc1-c1nc2ncc[nH]c-2n1 587066925 VRNTVOPAJCNQBK-UHFFFAOYSA-N 259.700 2.667 0 1 CFAF COc1cccc(-c2nc3c(C)nc(C)cc3[nH]2)c1O 587786843 NHBNMSINLLMYHC-UHFFFAOYSA-N 269.304 2.956 0 1 CFAF c1cc2c(s1)CCS[C@H]2c1nc2cnncc2[nH]1 587036655 IQMRGGYXEJBTNH-LLVKDONJSA-N 274.374 2.793 0 1 CFAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(F)c(F)cc2[nH]1 587963531 OACNYUHKQQUMKN-YUMQZZPRSA-N 264.275 2.999 0 1 CFAF COC(=O)c1cccc2c(=O)n(-c3ccccc3)sc12 1772590421 JBGUJNQUZONYJZ-UHFFFAOYSA-N 285.324 2.839 0 1 CFAF Cc1ccccc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1[C@H]1C[C@H]12 169299851 HQGWLWWXSRABAP-VHPSDLRFSA-N 297.354 2.702 0 1 CFAF O=C(c1ccc(-c2cccc(Cl)c2)o1)n1cncn1 200030962 PRSFAETWKHHJGT-UHFFFAOYSA-N 273.679 2.880 0 1 CFAF COc1ccc2ccc3c(c2n1)[C@@H](CCNC(C)=O)CC3 1857651406 YEHQYUUTSGBBFW-CYBMUJFWSA-N 284.359 2.799 0 1 CFAF C[C@@H](Sc1nncs1)C(=O)N[C@H]1CCCC[C@H]1C 7735933 BOGLQABICGZLGB-BBBLOLIVSA-N 285.438 2.714 0 1 CFAF CC(C)CNC(=S)N1CCC(c2ccccc2)=N1 103193045 HLLRMVZFMTZRCE-UHFFFAOYSA-N 261.394 2.627 0 1 CFAF CC[C@H](C)[C@](O)(c1ccc(OC)cc1)c1cncnc1 28767776 IHQMZHLUUURIOZ-LRDDRELGSA-N 272.348 2.767 0 1 CFAF N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2cccc(O)c12 118566113 KMJBUCRCHVNFMX-UHFFFAOYSA-N 294.266 2.612 0 1 CFAF Nc1cccc2oc(-c3ccc(C(=O)O)cc3)cc(=O)c12 27098802 KJZSRBCWNIPDQX-UHFFFAOYSA-N 281.267 2.740 0 1 CFAF O=c1ccnc(SC23CC4CC(CC(C4)C2)C3)[nH]1 66077656 FZSSMEOTWRPVSY-UHFFFAOYSA-N 262.378 2.831 0 1 CFAF Cc1nccn1CC[C@@](C(N)=O)(c1ccccc1)C(C)C 26258196 ZHFBUMQLVCSTSE-KRWDZBQOSA-N 285.391 2.661 0 1 CFAF CO[C@@H]1CCCCC[C@@H](C)OC(=O)C=C[C@H](O)CC1 2356801170 QLHJXXLYINWOCT-MGPQQGTHSA-N 270.369 2.595 0 1 CFAF COc1ccc([C@H](C)C(=O)c2c(O)cc(O)cc2O)cc1 34461448 UDALNYNLNYDPMV-VIFPVBQESA-N 288.299 2.798 0 1 CFAF endogenous,in-man COC(=O)CCC/C=C\C/C=C/C=C/COC(C)=O 210352190 DSVPGFNPLBCDKT-YIFOVFFASA-N 266.337 2.952 0 1 CFAF O=C(O)[C@H]1CCCN(c2ccnc3c(F)cccc23)C1 40351300 HCTQVAHORXKJIB-JTQLQIEISA-N 274.295 2.675 0 1 CFAF Cc1ccccc1N1CCN(C(=O)c2ccc[nH]2)[C@@H](C)C1 77538200 PYRKEBITALZIME-AWEZNQCLSA-N 283.375 2.674 0 1 CFAF CCCCCC[C@H]([C@@H](C)O)n1cnc(C(=O)NCCC)c1 40504900 YJOXAZJKIQBRBW-UKRRQHHQSA-N 295.427 2.915 0 1 CFAF O=c1[nH]c2cc(Nc3ccccc3)ccc2n1[C@H]1CCNC1 40576520 SYKZJCZGPSLNRA-AWEZNQCLSA-N 294.358 2.608 0 1 CFAF NC(=O)N1CCCc2cc(-c3ccc(Cl)nc3)cnc21 221466459 DVWORDQIQZVLIE-UHFFFAOYSA-N 288.738 2.628 0 1 CFAF NC[C@@]1(CC(=O)O)CC[C@H](CCc2ccccc2)C1 45394427 CVTWSVMTOFUNJU-HOCLYGCPSA-N 261.365 2.839 0 1 CFAF Cc1cn2c(C(=O)OCc3ccccc3)c(C)nc2cn1 299834771 CHJBHITVGZOVGT-UHFFFAOYSA-N 281.315 2.703 0 1 CFAF COc1ccc2nc(C(F)(F)c3ccccn3)[nH]c2n1 587089358 BOXZOIZHZXIFDD-UHFFFAOYSA-N 276.246 2.502 0 1 CFAF Cc1cccc(OCc2nc3cncnc3[nH]2)c1C 587563207 APGOKRHMVAJNRW-UHFFFAOYSA-N 254.293 2.549 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC13CCOCC3)O2 587407991 GFEKVGNFAWXRRJ-KRWDZBQOSA-N 287.359 2.872 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN3CCCC[C@H]31)O2 587396289 YIQONAUPTUBWEK-DOTOQJQBSA-N 286.375 2.539 0 1 CFAF CC1(C)Cc2cccc(Cl)c2N2CCNC[C@@H]21 1772629169 ONAWUUDVLOPFDC-GFCCVEGCSA-N 250.773 2.701 0 1 CFAF CCC(=O)Nc1cc(-c2ccccc2)sc1C(N)=O 13686729 CVGUKHOXOXBLKM-UHFFFAOYSA-N 274.345 2.863 0 1 CFAF CC(=O)O[C@@H](Cc1c[nH]c2ccccc12)C(=O)C(C)C 14455628 MNIVLQOKRHODTM-HNNXBMFYSA-N 273.332 2.867 0 1 CFAF C[C@H]1CC2=CCC[C@@H]3N4C(=O)CCC[C@H]4C[C@@H](C1)N23 154401618 ZDFSDFBEUFWCSH-MHEUCROKSA-N 260.381 2.876 0 1 CFAF CCC(=O)NCC[C@H]1CCc2ccc3c(c21)CCCO3 13491278 IXMSRAZUUSCUJA-CYBMUJFWSA-N 273.376 2.958 0 1 CFAF CO[C@H]1C=C(O)[C@@H]2[C@@H]3C[C@H]4CCC[C@]3(C)[C@@]4(C)[C@@]12O 103575478 HLBDFWVKKWDTCV-QCVXCTRNSA-N 264.365 2.650 0 1 CFAF biogenic,in-vitro C[C@H](CC(=O)C[C@@]1(C)C2C[C@H]3[C@@H](C2)C31C)C(=O)O 104367278 PJKNORSNWWYCMC-HVARQYTBSA-N 250.338 2.739 0 1 CFAF endogenous,in-man CN1[C@@H]2CC[C@@H]1CC(NC(=O)c1cn(C)c3ccccc13)C2 101212419 WIQYPYDXKSCUQF-ZIAGYGMSSA-N 297.402 2.533 0 1 CFAF Cc1cccc(-n2c(O)c3ncnc-3c3cccnc32)c1 101318000 JJDNFEOJGARGDU-UHFFFAOYSA-N 276.299 2.934 0 1 CFAF CCC(=O)N(c1ccccc1)[C@H]1CCC[C@@H]1N(C)C 28236422 NFXVAHYPHHWBBD-GJZGRUSLSA-N 260.381 2.912 0 1 CFAF Cc1ccc2cc(NC(=O)[C@@]3(C)CCN(C)C3)ccc2n1 61902229 PTDQCOQTJPZNHL-KRWDZBQOSA-N 283.375 2.824 0 3 CFAF C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1N 27517609 AVSMQONKGFGSIR-JTQLQIEISA-N 269.300 2.688 0 1 CFAF COC[C@@H]1CCN(CCCc2nc3ccc(F)cc3[nH]2)C1 20211445 REXYOQLSTJQYGA-GFCCVEGCSA-N 291.370 2.603 0 1 CFAF CCSc1nc(NCCCCCO)c2cccnc2n1 72181260 OMCMRBXTKKNVEB-UHFFFAOYSA-N 292.408 2.711 0 1 CFAF C[C@@H]1C(=O)N[C@@H](c2ccc(N)cc2)c2ccccc21 33823689 FPUPDLSHPPVPLS-BONVTDFDSA-N 252.317 2.592 0 1 CFAF CNC(=S)N1NC2=C(CCCC2)[C@H]1c1cccs1 45357674 GNONMTQBVISFEP-LBPRGKRZSA-N 279.434 2.942 0 1 CFAF CCCc1nc2ccc(NC(=O)c3ccco3)cn2n1 82082834 SDUBUZJZCIYPKN-UHFFFAOYSA-N 270.292 2.527 0 1 CFAF O=S1(=O)N[C@H](CC2=CCCCC2)[C@@H]2CCCC[C@H]2O1 254029426 ZOYSOWHUNKOULN-BFHYXJOUSA-N 285.409 2.669 0 3 CFAF Clc1ccc(CN2CC[C@@H](NCC3CC3)C2)cc1 621431336 KEJLWBOKQZWSGT-OAHLLOKOSA-N 264.800 2.914 0 1 CFAF NC(=O)[C@H]1CCCc2c(-c3ccc(Cl)cc3)n[nH]c21 299858215 DJSXAFBEVHGPLR-NSHDSACASA-N 275.739 2.635 0 1 CFAF CC[C@H]1OCCC[C@H]1c1nc2nc(Cl)c[nH]c-2n1 586909938 GGEIQZZJDDXWDM-HTQZYQBOSA-N 266.732 2.631 0 1 CFAF COc1ncc(F)cc1-c1nc2cc3[nH]ncc3cc2[nH]1 587176669 ZPJWRWSZPGAULP-UHFFFAOYSA-N 283.266 2.649 0 1 CFAF Nc1cncc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1 587253527 BPRIDFSQXWSSBF-UHFFFAOYSA-N 279.225 2.621 0 1 CFAF O=C(Cc1ccccc1)n1ncc2ccc(Cl)cc2c1=O 587651489 AHBYJZRMTYEPDE-UHFFFAOYSA-N 298.729 2.933 0 1 CFAF FC(F)=C(C[C@H]1CCCN1)c1nc2cc(F)cnc2[nH]1 587089196 ZOYWQDRPCOHPNC-MRVPVSSYSA-N 282.269 2.847 0 1 CFAF Cc1nc2[nH]c(C[C@@H](C)N(C)C)nc2cc1Br 587189731 DBWQVLSFNGKPIS-SSDOTTSWSA-N 297.200 2.521 0 1 CFAF C[C@H](O)Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586892516 RHDIYDBNJLXFBD-YFKPBYRVSA-N 262.206 2.644 0 1 CFAF COc1cc2c3c(c1)O[C@]1(C[C@H]4CC[C@@H]1CC4=O)[C@@H](C2)C3=O 587447160 MKTVDQMMVLKHBX-DGNGBVRDSA-N 298.338 2.571 0 1 CFAF Fc1cccc(-n2cc(CN3CCc4ccccc43)nn2)c1 1857567784 SYOGWVOYNCUNTO-UHFFFAOYSA-N 294.333 2.969 0 1 CFAF Cc1csc(-c2cc3ccc(O)cc3oc2=O)n1 273815 KPQSZJRCWYCLHO-UHFFFAOYSA-N 259.286 2.931 0 1 CFAF Fc1nc(F)nc(-c2c3ccccc3c3n2CCS3)n1 1631748 RGUFIXWRRQEQQB-UHFFFAOYSA-N 290.298 2.877 0 1 CFAF N[C@@]1(c2ccccc2)C2=NCCCN2c2ccccc21 3776942 QJQWVTITZDKHMZ-QGZVFWFLSA-N 263.344 2.511 0 1 CFAF CN(Cc1ccco1)c1ncncc1-c1ccoc1 4239384 KVZVYIVNXQGVAY-UHFFFAOYSA-N 255.277 2.966 0 1 CFAF C[C@@H](C(=O)O)c1ccc(C[C@@H]2CCC[C@@H]2O)cc1F 64447906 SNSNKHOGRIQHBJ-PUYPPJJSSA-N 266.312 2.717 0 1 CFAF Cc1cccc(C[S@@](=O)c2nc3ccccc3[nH]2)c1N 28230100 XXVHQNGLTWMBRT-FQEVSTJZSA-N 285.372 2.761 0 1 CFAF CC(C)=CCc1ccc(O)c2c1[C@@H](CC(=O)O)OC2=O 2356453967 SGANRXIOFBZJJF-LLVKDONJSA-N 276.288 2.587 0 1 CFAF CCC(=O)NCC1(c2cn(C)c3ccc(O)cc23)CCC1 36188188 QYSQJWAHRVRDAH-UHFFFAOYSA-N 286.375 2.832 0 1 CFAF C/C=C/C=C/CC/C=C/C=C/C(=O)NCC(C)(C)O 238757689 BTRRIKDMBGWCGF-CPPLXNCVSA-N 263.381 2.898 0 1 CFAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C[C@H](O)[C@H]2O 90750973 PROQIPRRNZUXQM-HTPGKPQGSA-N 288.387 2.580 0 1 CFAF CN1[C@H]2CCC[C@H]1[C@@H](OC(=O)C1CCCCC1)C2 261146761 OALBGXZFCMPEGE-IHRRRGAJSA-N 251.370 2.735 0 1 CFAF CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccc(C)cc1 617968738 PIBAKLLGCXYTMO-NPRUJURCSA-N 276.361 2.801 0 1 CFAF N=c1[nH]c2ccc(-c3cnn(CC4CC4)c3)cc2s1 473092982 SRNMYAZHFYKZCA-UHFFFAOYSA-N 270.361 2.982 0 1 CFAF CN(C(=O)N(C)c1cccc(N)c1)c1ccccc1 653831398 PUQIJJZTVJMWJD-UHFFFAOYSA-N 255.321 2.961 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H]([C@@H](C)COC)CC2=O 587479567 ISCZESGGQBMCKQ-ZUZCIYMTSA-N 278.348 2.961 0 1 CFAF CC(C)[C@](C)(O)c1nc2ccc(Br)nc2[nH]1 586886919 GZGKHFUNPIBAPH-NSHDSACASA-N 284.157 2.584 0 1 CFAF COc1ccc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2c1 587149971 INKWSUPAVFTTCA-AWEZNQCLSA-N 289.285 2.898 0 1 CFAF COC(=O)[C@H]1CCc2c(nc3cccc4c3c2CC4)C1 587214245 PSUGCTWZCUYEES-NSHDSACASA-N 267.328 2.611 0 1 CFAF COC(=O)C[C@@H]1CCc2c1nc1cccc3c1c2CC3 587212720 CDLAIBFYMCWEAN-NSHDSACASA-N 267.328 2.926 0 1 CFAF CC1=C[C@@]2(C(=O)CO1)c1ccc(F)cc1C[C@H]1CCCN12 963113803 ZYNUNWBKOWRXOP-PBHICJAKSA-N 287.334 2.545 0 1 CFAF Cn1cc(C(=O)Nc2ccccc2)c2cccnc21 145382239 PJAJACYDPKXIHP-UHFFFAOYSA-N 251.289 2.826 0 1 CFAF CCSc1nc(=O)c2c3c(sc2[nH]1)CCC3 5093241 QMTYGYLIHJLWGM-UHFFFAOYSA-N 252.364 2.585 0 1 CFAF CC(=O)O/C=C1/[C@@H](C)CC[C@@H]1/C(C)=C/OC(C)=O 13304902 XWSAKQNRGFHFHM-KPYXJDSYSA-N 252.310 2.946 0 1 CFAF Cc1ccccc1-n1ncc(C(=O)c2ccccc2)c1N 13682988 WYGCUSHOHRVKKS-UHFFFAOYSA-N 277.327 2.994 0 1 CFAF CN(C)c1ccc(NC(=O)OCCCc2c[nH]cn2)cc1 13747046 KZYMQKBRVKETCV-UHFFFAOYSA-N 288.351 2.657 0 1 CFAF C[C@H](C(=O)CC(=O)OC(C)(C)C)[C@H](O)c1ccccc1 13829253 DRYNAXQNYIJTLJ-ABAIWWIYSA-N 278.348 2.657 0 3 CFAF N=C1Cc2ccccc2N(C(N)=O)c2ccccc21 169730534 YVLSJCPMKKIDSD-UHFFFAOYSA-N 251.289 2.827 0 1 CFAF C[C@@H](c1ccccc1)n1cc(C(=O)NC2CCCC2)nn1 203475619 YGMSBTFBNVVWQI-LBPRGKRZSA-N 284.363 2.560 0 3 CFAF Cc1noc2c(F)cc(N=c3[nH][nH]c4ncccc34)cc12 1857609786 CMKYFVFTNIFSHB-UHFFFAOYSA-N 283.266 2.712 0 1 CFAF O=C1N[C@H](c2c[nH]nc2-c2ccccc2)Nc2sccc21 1857745609 PYAMESVICNFXKS-ZDUSSCGKSA-N 296.355 2.992 0 1 CFAF O=C(O)Cc1ccc2c(c1)OCc1ccccc1O2 29223313 QTBPZEAQRRAFFF-UHFFFAOYSA-N 256.257 2.998 0 1 CFAF in-vivo O=C1c2ccccc2-c2nc(-c3ccccc3)nnc21 56256 OERHOWFXDDHRBP-UHFFFAOYSA-N 259.268 2.750 0 1 CFAF in-vivo O=C1NC(c2cccs2)(c2cccs2)C(=O)N1Cl 1743190 KMONPDPMAMMESF-UHFFFAOYSA-N 298.776 2.759 0 1 CFAF Cc1ccc(C[P@@](=O)(O)OCCCN(C)C)cc1 103250457 IXGSUOLMLWVQPB-UHFFFAOYSA-N 271.297 2.649 0 1 CFAF CCO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1cccc(O)c1 103943585 HYKHLRLOEIJGTO-NPRUJURCSA-N 292.360 2.588 0 1 CFAF CC1CCC(n2c(=O)[nH]c3cnc4[nH]ccc4c32)CC1 117901185 MOUYAYZHJSOPGL-UHFFFAOYSA-N 270.336 2.957 0 1 CFAF CCCCCC[C@@H]([C@H](C)O)n1cnc2c(N)ccnc21 28219819 JZTWTHJFDIWAKD-AAEUAGOBSA-N 276.384 2.906 0 1 CFAF CCC[C@@H](COC)NC(=O)c1cc2cc(OC)ccc2o1 114431356 PWUDUVCAKCZJRX-LBPRGKRZSA-N 291.347 2.986 0 1 CFAF CNC(=O)N(C)[C@H]1c2cc(OC)ccc2Oc2ncccc21 28006496 UWAWDSGPDKBVSW-CQSZACIVSA-N 299.330 2.557 0 1 CFAF COc1oc(CCCC[C@@H](C)CO)c(C)c(=O)c1C 2356807829 YETXUNSDVMYLEI-SNVBAGLBSA-N 268.353 2.606 0 1 CFAF CC(C)=CCC[C@@]1(C(=O)O)CC(=O)c2cc(O)ccc2O1 2356828570 IIDSTQJQOPFISF-INIZCTEOSA-N 290.315 2.927 0 1 CFAF Clc1nss/c1=N\c1nc2ccccc2[nH]1 66136590 NZLVKAAPGJWPFX-JYRVWZFOSA-N 268.754 2.967 0 1 CFAF CO[C@@H]1C=C[C@@H](N(O)c2ccc(Br)cn2)CC1 73167043 FGRHBDSAKSWZJG-GHMZBOCLSA-N 299.168 2.773 0 1 CFAF COP(=O)(OC)[C@@H](O)[C@@H](c1ccccc1)C1CC1 211059133 OEELTRGRLGEKHS-QWHCGFSZSA-N 270.265 2.985 0 3 CFAF CCOc1nn(-c2ncccn2)c(C)c1Cc1ccccc1 299865883 OFYCSRMUCHFIRJ-UHFFFAOYSA-N 294.358 2.960 0 1 CFAF Cc1cnc(Cl)c2[nH]c([C@H]3CC[C@@H](N)C3)nc12 587246155 FHAUGZTYYYKPPL-JGVFFNPUSA-N 250.733 2.515 0 1 CFAF Cc1cncc2nc(COc3ccc(F)cc3)[nH]c12 587168390 HXCUJUGLLBBFRQ-UHFFFAOYSA-N 257.268 2.984 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)cc1N)[C@@H](C2)C3=O 587429448 UCBPIIBIMRNYHQ-SJCJKPOMSA-N 299.301 2.905 0 1 CFAF COC(=O)C(=O)c1c(-c2cccnc2)[nH]c2cccc(F)c12 587637107 VCFWATSTWWGSTJ-UHFFFAOYSA-N 298.273 2.725 0 1 CFAF Fc1ccc2c(c1)-c1cc(n(-c3cnccn3)n1)O2 587874525 FCGLNONBPANQLA-UHFFFAOYSA-N 254.224 2.574 0 1 CFAF COc1c(F)ccc(-c2nc3cccc(O)c3[nH]2)c1N 587132481 BWXKBTRORKIKSG-UHFFFAOYSA-N 273.267 2.665 0 1 CFAF COCCC[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587402451 XVGLYWPULAEBHE-OAHLLOKOSA-N 263.337 2.728 0 1 CFAF Cc1ccc2nc(C(F)(F)c3ccccn3)[nH]c2n1 587089707 GTPSVRAGVIZWAY-UHFFFAOYSA-N 260.247 2.801 0 1 CFAF Cc1cnc2[nH]c(C(F)(F)c3ccccn3)nc2c1 587089798 HSXOMNMHJXDMLY-UHFFFAOYSA-N 260.247 2.801 0 1 CFAF Nc1cc(-c2nc3ncc[nH]c-3n2)c2ccccc2c1 587251677 LFCAMUAVTJHEGV-UHFFFAOYSA-N 261.288 2.707 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnc(Cl)n1)O2 587379335 IAHFGZRATRWTAR-GFCCVEGCSA-N 289.722 2.727 0 1 CFAF Cc1ccc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2n1 587968381 BKMHOVYEOHIKMO-NVSAGUJYSA-N 281.359 2.913 0 1 CFAF NC(=O)Nc1ccc(-c2nc3c(Cl)cncc3[nH]2)cc1 587243404 KHHKMVDRJBCGDA-UHFFFAOYSA-N 287.710 2.769 0 1 CFAF Cc1ccc(-c2csc(-c3c(O)cn(N)c3N)n2)cc1 958043837 NEJGEAPZUIHEKE-UHFFFAOYSA-N 286.360 2.589 0 1 CFAF NC(=O)[C@@H]1CC[C@H]2c3cc(Cl)ccc3N[C@@H]2C1 1857609037 YLRRWSFYZRTZFD-VFWDIBGWSA-N 250.729 2.503 0 1 CFAF O=C(O)c1nccc(-c2cccc(Cl)c2F)n1 1772588474 WHAUHWFSUBXBDQ-UHFFFAOYSA-N 252.632 2.634 0 1 CFAF Oc1nc(SCc2ccccc2Cl)c2ncnc-2[nH]1 5974366 IXFUHFDMDQCGDQ-UHFFFAOYSA-N 292.751 2.956 0 1 CFAF CSc1nc(/C=C/c2ccccc2)nn1C(=O)N(C)C 13533096 ISTWOSNIZSCOAJ-MDZDMXLPSA-N 288.376 2.700 0 1 CFAF CC[C@]1(C)SC(NC23C[C@@H]4CC2C[C@@H](C4)C3)=NC1=O 14978763 NKXZODWCNYSDGW-ILGBEXJHSA-N 278.421 2.953 0 1 CFAF O=C(O)c1ccc([S@@](=O)CCCc2ccccc2)cn1 169338970 DRXGHMFWHSKKFB-FQEVSTJZSA-N 289.356 2.520 0 1 CFAF COCOc1cccc(C[C@H]2Cc3cccc(O)c3C2=O)c1 1857633354 WCQTZDVHDQXYPP-AWEZNQCLSA-N 298.338 2.973 0 1 CFAF CN1CC=C(c2c[nH]c3ccc(C4OCCO4)cc23)CC1 13731900 WSLFIUZGYAPIBR-UHFFFAOYSA-N 284.359 2.932 0 1 CFAF Cc1cc(NC(=O)C(C)C)ncc1NC(=O)c1ccco1 1358408 AMWPUKFUKILSOX-UHFFFAOYSA-N 287.319 2.830 0 3 CFAF CCCCCOc1nsnc1O[C@@H]1CN2CCC1CC2 1896193 NDVIKBDXCVASBZ-GFCCVEGCSA-N 297.424 2.580 0 1 CFAF COC(=O)[C@H]1[C@@H](c2ccc(C)c(F)c2)C[C@@H]2CC[C@H]1N2 28521662 QDZIBQWKRRRXAL-MXYBEHONSA-N 277.339 2.531 0 1 CFAF COc1cc(SCC2CC2)c(OC)cc1CCN 27215624 AHMSSHCYIDBVQB-UHFFFAOYSA-N 267.394 2.707 0 1 CFAF Nc1cc(CCCCC(=O)Nc2ccccc2)on1 64499237 XUORBCLWJYOORR-UHFFFAOYSA-N 259.309 2.608 0 1 CFAF O=C1NC(=O)[C@@H](Oc2ccc3ccccc3c2)S1 29215813 ISGMBGUHJMWOFW-LBPRGKRZSA-N 259.286 2.528 0 1 CFAF COc1ccccc1NC(=O)CCCN1CCCCC1 29471434 WVERTYDSWXYCLK-UHFFFAOYSA-N 276.380 2.900 0 1 CFAF CC1=C[C@@H]2[C@H](CC1)C(C(=O)O)=CC[C@H]2C(C)(C)O 2356549559 GOAYTHWKOQUNGK-RAIGVLPGSA-N 250.338 2.761 0 1 CFAF Cc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1 69482026 NKFJZZYKNIWZFC-UHFFFAOYSA-N 284.267 2.885 0 1 CFAF biogenic,in-vitro COc1oc(CCCC[C@H](C)[C@H](C)O)c(C)c(=O)c1C 139220339 VDWLRCYEQOITHG-GWCFXTLKSA-N 282.380 2.995 0 1 CFAF COc1ccc(COc2ncnc(-c3ccco3)c2N)cc1 49803803 IHXBQWQVMOFIBM-UHFFFAOYSA-N 297.314 2.906 0 1 CFAF Cc1ncc(C(N)=O)c(Nc2cccc(C(F)(F)F)c2)n1 40896451 DHWRQBVDKMGQGL-UHFFFAOYSA-N 296.252 2.646 0 1 CFAF COc1cc2c(cc1O)CN(C(=O)C1CCCCC1)CC2 42922336 FIDLAGTYUGAMSO-UHFFFAOYSA-N 289.375 2.866 0 1 CFAF O=C(CCCCCCCC[C@H]1C=CCC1)OC[C@H](O)CO 95564092 UZRAFOVPRMUAFS-JKSUJKDBSA-N 298.423 2.970 0 1 CFAF Cc1ccc2nc(C)c3nnc(-c4cccc(O)c4)n3c2n1 145712451 OFBDYPOKLBUABM-UHFFFAOYSA-N 291.314 2.662 0 1 CFAF O=C(O)CCn1nc2sc3ccccc3n2c1=S 96927377 AZYDVDQLWCLFCA-UHFFFAOYSA-N 279.346 2.555 0 1 CFAF CC(C)Cc1nc(N)c2nn(-c3ccccc3)cc2n1 299827436 JISVMZYUDAXJKD-UHFFFAOYSA-N 267.336 2.596 0 1 CFAF NC(=O)[C@H]1CCCc2c(-c3cccc(Cl)c3)n[nH]c21 299863311 KXLUDCACAWEVRV-NSHDSACASA-N 275.739 2.635 0 1 CFAF CCOCc1ccc(-c2nc3cc(CCO)ccc3[nH]2)o1 586902281 DFAGCBSSPHNSKZ-UHFFFAOYSA-N 286.331 2.894 0 1 CFAF Fc1c(Cl)cc2nc([C@@H]3CCOC3)[nH]c2c1F 586911215 FQTAYRVNGDQYJL-RXMQYKEDSA-N 258.655 2.998 0 1 CFAF c1ccc(C[C@H]2N[C@@H](c3nc4cccnc4[nH]3)CS2)cc1 587038711 BIEMXWLWHDYAKZ-KGLIPLIRSA-N 296.399 2.904 0 1 CFAF CC[C@]1(C)C[C@H]1c1nc2nc(Br)c[nH]c-2n1 586890372 OQSZOMYTVPCNNI-UPONEAKYSA-N 281.157 2.971 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1ncccc1F)[C@@H](C2)C3=O 587428253 YJBYXKKHTTYTII-APPDUMDISA-N 299.301 2.892 0 1 CFAF O[C@H](c1nc2cnccc2[nH]1)c1ccccc1Cl 587059276 NJVCIKDFAPRVAE-LBPRGKRZSA-N 259.696 2.693 0 1 CFAF CC(=O)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587815446 MZUTXTCOXVCQIA-QTTZVWFDSA-N 286.144 2.753 0 1 CFAF CCCc1nonc1NC(=O)/C=C/c1ccccc1 76627158 OQBUXPKSQZSQIC-MDZDMXLPSA-N 257.293 2.674 0 1 CFAF O=C(c1c[nH]c2ccccc12)n1nnc2ccccc21 82271136 FYEZHKNNYVFTEJ-UHFFFAOYSA-N 262.272 2.601 0 1 CFAF Cc1ccccc1Nc1nc2ccccc2n2nnnc12 1772581133 KGWMQKYMDTVWSU-UHFFFAOYSA-N 276.303 2.725 0 1 CFAF CSc1nnc(CO)n1-c1ccc(Cl)cc1Cl 1857607004 SLJNFNZLYXHRAH-UHFFFAOYSA-N 290.175 2.788 0 1 CFAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1OC[C@@H]2O 5764478 JHBGIEZIDJQZJI-UHDSXZAQSA-N 274.360 2.598 0 1 CFAF CC(=O)NCC(=O)N1c2ccccc2C=Cc2ccccc21 13581673 TYDIIFOJEQOKKN-UHFFFAOYSA-N 292.338 2.971 0 1 CFAF CC1=C2C[C@](C)(CO)C[C@H]2Cc2coc(C(=O)O)c21 15164473 ZVCJKFXJAHTJFE-RFAUZJTJSA-N 262.305 2.716 0 1 CFAF c1ccc(-n2cc(-c3nnc4n3CCCCC4)cn2)cc1 206510486 BUCBFLJKQPXOMZ-UHFFFAOYSA-N 279.347 2.857 0 1 CFAF O=C(Nc1nccs1)c1cc(Oc2cccnc2)ccn1 167500030 HWGXKUXOOXSJPS-UHFFFAOYSA-N 298.327 2.978 0 1 CFAF CCc1cc(NCc2cc3ccncc3o2)c(=O)[nH]c1C 5847461 ONFSYSYGCPKYCA-UHFFFAOYSA-N 283.331 2.999 0 1 CFAF CCCN(CC)C1Cc2cc(OC)c(OC)cc2C1 13471376 HQRJDVRCEULSCC-UHFFFAOYSA-N 263.381 2.903 0 1 CFAF COC(=O)[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCCN1 13747213 DJLLHNLJLSEKHJ-STQMWFEESA-N 267.756 2.739 0 1 CFAF in-vitro COc1ccc([C@@](O)(c2ccccc2)c2cncnc2)cc1 28768935 PQTZEFFQCPAEDV-SFHVURJKSA-N 292.338 2.769 0 1 CFAF C[C@@H]1C=C[C@@H]2C[C@H](CO)CC[C@H]2[C@H]1CCC(=O)O 2356334496 IEYGSRROAFACDI-XGFWRYKXSA-N 252.354 2.698 0 1 CFAF CC(=O)Nc1ccc(C2=N[C@@H](CC(C)C)CO2)cc1 8680148 HFURFYKHLLQDKB-AWEZNQCLSA-N 260.337 2.837 0 3 CFAF CC1(C)C(=O)Nc2cc3[nH]c(Cc4ccncc4)nc3cc21 28265158 LIQVASFSSLEVAQ-UHFFFAOYSA-N 292.342 2.778 0 1 CFAF COc1cccc(Cn2c(=O)oc3ccc(C)cc32)c1 64549232 YFFMZNIWKBGGJU-UHFFFAOYSA-N 269.300 2.960 0 1 CFAF CCC[C@@H](O)c1ccc(OC)c(O[C@@H]2CCOC2)c1 66073687 YUQQHTDRBVFZGY-CHWSQXEVSA-N 266.337 2.696 0 1 CFAF COc1ccc(-c2cn(CC(=O)c3ccccc3)nn2)cc1 64447939 KKKDKKGFVAOADY-UHFFFAOYSA-N 293.326 2.837 0 1 CFAF COc1ccc2c(c1)C[C@@H](C)O[C@]21C(=O)Nc2ccccc21 36382049 JAZPVBXOMXUZHQ-ADLMAVQZSA-N 295.338 2.852 0 1 CFAF CCCC/C=C/[C@@H](O)[C@@H]1COC(=O)N1C(=O)C1CCCC1 73156640 ZCHKHPWWRSWHQC-KGYRSLOKSA-N 295.379 2.631 0 1 CFAF C[C@H]1CCC/C=C/[C@@H]2CCC[C@H]2[C@H](O)/C=C/C(=O)O1 135982507 DDFOHHVPBOQQDW-PTZGWOCZSA-N 264.365 2.992 0 1 CFAF S=C1N[C@@H](c2ccc(Cl)cc2)N2CCCCN12 96282415 IMEAXYQKJAAMFM-LLVKDONJSA-N 267.785 2.540 0 1 CFAF COc1ccc2[nH]cc(CCc3nnc(S)o3)c2c1 473170086 PVESIZVQVYYRLJ-UHFFFAOYSA-N 275.333 2.633 0 1 CFAF CC1=C(C(=O)OC(C)C)[C@H](c2ccoc2)n2ccnc2N1 653745115 DSMIPQLMUFQGPC-ZDUSSCGKSA-N 287.319 2.717 0 1 CFAF Cc1nc(C)c(Cc2nc3ccc(C(=N)N)cc3[nH]2)s1 587012703 RZGHVUJWBWDFEP-UHFFFAOYSA-N 285.376 2.511 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(COC(C)C)[C@@H](C2)C3=O 587439673 MEWQJHWAFWOCMQ-LRDDRELGSA-N 276.332 2.626 0 1 CFAF Nc1ccc(F)c(Cc2nc3cncc(Cl)c3[nH]2)c1 587140849 HBYRZLKPCLPMAB-UHFFFAOYSA-N 276.702 2.923 0 1 CFAF CSc1ccc2nc(C[S@](=O)CC3CC3)[nH]c2c1 586960050 RBTUWSYUISPNIM-GOSISDBHSA-N 280.418 2.944 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccc(C)cn1)[C@@H](C2)C3=O 587435459 GWURIWXOBPVSKO-SJCJKPOMSA-N 281.311 2.887 0 1 CFAF O=C1O/C(=C\c2nc3cccnc3[nH]2)c2ccccc21 586908108 YVPCOSBWEAAOQB-WQLSENKSSA-N 263.256 2.626 0 1 CFAF N=c1[nH]ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c12 586891006 RRHPBQPCGBTTIU-PXAZEXFGSA-N 276.343 2.742 0 1 CFAF O=Cc1ccccc1Oc1no[n+]([O-])c1-c1ccccc1 1772645297 NUYXQABCLRJVTQ-UHFFFAOYSA-N 282.255 2.580 0 1 CFAF CC1(C)[C@H](c2c[nH]c(N)n2)[C@H]1c1cccc2c1CCO2 13588440 MDSBMBXDSJELPF-ZIAGYGMSSA-N 269.348 2.834 0 1 CFAF CCc1cc(CN(C)Cc2nc3ccc(F)cc3[nH]2)on1 19800169 QXNILLNFDRLUQM-UHFFFAOYSA-N 288.326 2.884 0 1 CFAF O=C1Nc2cc(Cl)ccc2C(=O)[C@H]1C(=O)c1ccccc1 100743927 PJYFZSCHAYROEU-CYBMUJFWSA-N 299.713 2.974 0 1 CFAF CCC[C@@]1(C(=O)OCC)CC[C@@]2(c3ccccc3)ON12 26469817 KRKSCNCTBHZUGE-PYNWJHIZSA-N 275.348 2.982 0 1 CFAF CCc1cc(CCC2=N[C@@H]3CCCC[C@@H]3O2)c(=O)[nH]c1C 28088105 IAXQRZNSWJVLEQ-CABCVRRESA-N 288.391 2.918 0 1 CFAF Cn1nccc1Nc1cccc(-c2cnc3ccccn23)n1 29044455 AZYPWXYJEHNGKR-UHFFFAOYSA-N 290.330 2.873 0 1 CFAF CC1=CC[C@H](O)[C@H](C)C[C@@H]2OC(=O)[C@H](C)[C@H]2CC1 2356656587 LAOQYXNUSDEVJK-POQQGIQPSA-N 252.354 2.681 0 1 CFAF CC(=O)OC(C)(C)[C@@H]1CC[C@@H]2CO[C@@]3(C)C=CO[C@]23C1 2356684574 RYBNUNCKOSXXIO-LUYZLQTOSA-N 280.364 2.816 0 1 CFAF CC(=O)O[C@@H]1[C@@H](C)CN(C)[C@@H]2Cc3c[nH]c4cccc(c34)[C@@H]12 33650321 GJSSYQDXZLZOLR-QMHBMSAFSA-N 298.386 2.689 0 1 CFAF Cc1ccc(N2C(=O)C[C@@]3(C[C@H]4C=C[C@@H]3C4)C2=O)cc1 36383337 YMKRBQHAGIZWOS-OGHNNQOOSA-N 267.328 2.841 0 1 CFAF CCOC(=O)[C@@]12C[C@]1(C)c1cc(Cl)ccc1NC2=O 34821452 POGSINAVXAORJZ-KGLIPLIRSA-N 279.723 2.503 0 1 CFAF Cc1cccc(C)c1-c1ccc2nc(N)nnc2c1 37858320 CFKCMVCEHGIRLA-UHFFFAOYSA-N 250.305 2.891 0 1 CFAF CNC[C@@]1(O)Cc2ccccc2[C@H]1Oc1ccccc1C 34807339 YIEXSVBTWQZEGZ-MSOLQXFVSA-N 283.371 2.622 0 1 CFAF CC(C)n1cnc2c(Nc3ncccn3)nc(Cl)nc21 95595106 AFPMXBBQYXHQCC-UHFFFAOYSA-N 289.730 2.594 0 1 CFAF CC(C)n1cnc2c(Nc3ccnnc3)nc(Cl)nc21 95594136 ZBJCJDGVTDSVKX-UHFFFAOYSA-N 289.730 2.594 0 1 CFAF COc1ccc(/C=C/[C@]2(C)C=CC(=O)O2)c(OC)c1 96921232 XDQRGPABQCLWNI-PMGBHYCQSA-N 260.289 2.589 0 1 CFAF CC1(C)CC[C@](C)(c2ccc(C(=O)O)cc2O)CO1 238731583 VOWXSGLYTYQXBZ-HNNXBMFYSA-N 264.321 2.937 0 1 CFAF Cc1ccc2c(OC(=O)N3CCC(C)CC3)noc2n1 148669419 YQECVAFDZVBUKV-UHFFFAOYSA-N 275.308 2.762 0 1 CFAF O=C1CCCC[C@]1(NCCCO)c1ccccc1Cl 96910578 AKWNMOUJQGVURB-HNNXBMFYSA-N 281.783 2.650 0 1 CFAF COc1ccc(N(C)c2nc(C)nc3c2nc(C)n3C)cc1 299821051 FLDPTZXFXIMRBS-UHFFFAOYSA-N 297.362 2.757 0 1 CFAF FC(F)(F)[C@](F)(Cl)c1nc2nc(Cl)c[nH]c-2n1 587090814 YITQMHVVGNJIKQ-LURJTMIESA-N 289.019 2.881 0 1 CFAF CCCc1c(O)ccc2c1O[C@@]1(CCOC[C@@H]1F)CC2=O 587472597 RTWWWNAGUKWWAW-HOCLYGCPSA-N 294.322 2.807 0 1 CFAF c1coc(-c2nc(Cc3nc4cncnc4[nH]3)cs2)c1 587017242 KEIFTFSYOQCJRX-UHFFFAOYSA-N 283.316 2.660 0 1 CFAF Cc1c(Cl)ccc2nc(Cc3ccc(=N)[nH]c3)[nH]c12 587253747 OMZQVUZFODHHMK-UHFFFAOYSA-N 272.739 2.923 0 1 CFAF C/C(=C/c1ccc2c(O)nc(O)nc2n1)Nc1ccccc1 587552803 CPNKJVQNFYIBNM-KTKRTIGZSA-N 294.314 2.909 0 1 CFAF OCc1ccc(F)c(-c2nc3cncc(Cl)c3[nH]2)c1 587140532 MKNFVNJGKSVZLP-UHFFFAOYSA-N 277.686 2.910 0 1 CFAF Cc1[nH]c2c(C(=O)O)cccc2c1Cn1ccnc1C 587637792 JFLJAQHQVFCIID-UHFFFAOYSA-N 269.304 2.728 0 1 CFAF CC[C@@H]1OCCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCO3 586913275 PZJRDGHOODTIDG-CABZTGNLSA-N 274.320 2.964 0 1 CFAF Cc1nc(C2CC2)sc1-c1nc2cc[nH]c(=N)c2[nH]1 587012683 RNOXJGIOBWWANY-UHFFFAOYSA-N 271.349 2.680 0 1 CFAF COc1cccc2cc(C(=O)n3nc(C)cc3C)oc12 1857764351 YIIBMRAKIFIXJL-UHFFFAOYSA-N 270.288 2.943 0 1 CFAF Oc1ccc(-c2n[nH]c3ccc(-c4nc[nH]n4)cc23)cc1 1772574758 SLDRRZWKXXENNE-UHFFFAOYSA-N 277.287 2.721 0 1 CFAF Cc1ccc(-c2ccccc2CN2C[C@H]3CNC[C@@H]3C2)o1 1772627394 LXKSKCYEUICUFC-HZPDHXFCSA-N 282.387 2.906 0 1 CFAF Cc1sc2nc(OCC(C)C)oc(=O)c2c1C 13779495 JGEZDBLNWKUNQM-UHFFFAOYSA-N 253.323 2.901 0 1 CFAF CC[C@@H]1CN2CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@@H]4CO 202782697 PYMHIOSGBXFQPS-PXHHVBDSSA-N 296.414 2.753 0 1 CFAF Oc1cccc(-n2cnc3cnc(-c4ccoc4)nc32)c1 1857609756 ZCVOROMZESYPMY-UHFFFAOYSA-N 278.271 2.781 0 1 CFAF CC[C@@H](N)[C@@H]1C[C@@]1(C(=O)N(CC)CC)c1ccccc1 13760485 LFIMCYFWWBLEGS-ZMSDIMECSA-N 274.408 2.550 0 1 CFAF COC(=O)NCCc1cccc2ccc(OC)cc12 13781831 RBGADFAJEJETNF-UHFFFAOYSA-N 259.305 2.747 0 1 CFAF CC(=O)Nc1nc2ncncc2cc1-c1ccccc1C 27415197 FPTXRSUPOLBETJ-UHFFFAOYSA-N 278.315 2.959 0 1 CFAF O=C(Nc1nnc(-c2ccccc2F)s1)C1CC1 416539 JZJJTSVSWZZQQU-UHFFFAOYSA-N 263.297 2.693 0 1 CFAF c1ccc(Cc2nsc([C@@H]3CN4CCC3CC4)n2)cc1 3787853 ATNZDXSEUIGJCM-CQSZACIVSA-N 285.416 2.938 0 1 CFAF C[C@H](C[N@@]1[C@@H](O)C12CCCCC2)c1ccc(C=O)cc1 2356357860 LRYPDVQOINLYPR-SKDZVZGDSA-N 273.376 2.940 0 1 CFAF c1ccc([C@H]([C@H]2Cc3ccccc3O2)n2cncn2)cc1 26187094 AIINULPPMAAPPL-IAGOWNOFSA-N 277.327 2.871 0 1 CFAF O=c1[nH]c2ccccc2n1-c1nc2cccc(F)c2o1 26655675 GCSRDJACUSRHBX-UHFFFAOYSA-N 269.235 2.599 0 1 CFAF CO[C@H]1C=C(CCC=C(C)[C@H](O)CC=C(C)C)C(=O)O1 2356464452 KWJDQWGBHWFRJA-HUUCEWRRSA-N 280.364 2.886 0 1 CFAF CCCN(CCC)Cc1cccc(-n2cccn2)n1 27560286 DCAJWVRCIXNRPO-UHFFFAOYSA-N 258.369 2.889 0 1 CFAF CCc1ccc(-c2cc(NCCOC)ncn2)cc1 82160905 PJVHUJKNKMVUOY-UHFFFAOYSA-N 257.337 2.764 0 1 CFAF COC[C@@]1(O)C[C@@]23C(=C1C(=O)O)C[C@@H](CC[C@H]2C)C3(C)C 85549031 FXHYJUYTBCLABS-BBHZHJQOSA-N 294.391 2.611 0 1 CFAF biogenic,in-vitro C[C@@H](CO)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 82083120 UUYZMPGHDXENHD-NSHDSACASA-N 296.326 2.605 0 1 CFAF CCCc1cc(-n2c(=O)[nH]c3ccccc32)c(O)cc1O 147750560 SOTMROXSYBGQBW-UHFFFAOYSA-N 284.315 2.683 0 1 CFAF in-vitro Nc1n[nH]c(-c2ccc(O)cc2)c1-c1ccc(O)cc1 95921351 SDULBSMUWSNMKJ-UHFFFAOYSA-N 267.288 2.737 0 1 CFAF in-vitro FC(F)(F)OCc1nc2c(Cl)ccnc2[nH]1 587123681 JJYWYLTZEXNCGV-UHFFFAOYSA-N 251.595 2.648 0 1 CFAF N[C@H](c1nc2cc3cn[nH]c3cc2[nH]1)c1ccc(F)cc1F 587151533 RVGDRFIYMCTXSX-AWEZNQCLSA-N 299.284 2.766 0 1 CFAF COc1cccc(-c2nc3c(C)nccc3[nH]2)c1O 587786189 IINJBRXBJFXPFD-UHFFFAOYSA-N 255.277 2.648 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCCCC(=O)O)O2 587407799 KZUMKYSYZXAHDH-INIZCTEOSA-N 291.347 2.946 0 1 CFAF CC[C@@H](C)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 587956257 PFIPUCWGJBZYBP-MRVPVSSYSA-N 262.309 2.872 0 1 CFAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc[nH]c(=N)c3[nH]2)cc1 586892401 SDERUUMOSGXCGR-IINYFYTJSA-N 282.347 2.516 0 1 CFAF CC(C)(CC(=O)O)Cc1nc2c(Cl)ccnc2[nH]1 587955502 LDGBNIRGAOLKSK-UHFFFAOYSA-N 267.716 2.655 0 1 CFAF COc1cc2c3c(c1)OC1(CC4(CSC4)C1)[C@@H](C2)C3=O 587451797 KSKTYGRTGUKBNM-NSHDSACASA-N 288.368 2.708 0 1 CFAF Cc1ccc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c2n1 587243143 BOFWDDKBYDJYOB-KTKRTIGZSA-N 278.315 2.918 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O)c(C=O)c1)O2 587404122 NNJWVSOGGLKDKH-INIZCTEOSA-N 297.310 2.802 0 1 CFAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cncnc2[nH]1 587196040 PHBAADIVQARCRY-JTQLQIEISA-N 267.336 2.571 0 1 CFAF CC(=O)Nc1ccccc1[C@@H]1NCCc2ccc(O)cc21 963353075 PNVZNBIYDMJMLQ-KRWDZBQOSA-N 282.343 2.586 0 1 CFAF Nc1ccc(C(=O)CC2CCN(CC3CC3)CC2)cc1 13729927 AHCCLQJDISTJNU-UHFFFAOYSA-N 272.392 2.964 0 1 CFAF c1ccc2c3c([nH]c2c1)[C@H]1Cc2nc[nH]c2CN1CC3 14829039 VARXYXDSDMJVTM-OAHLLOKOSA-N 264.332 2.547 0 1 CFAF CCN(C)C(=O)Oc1cccc2c1[C@@H](CCN(C)C)CN2 169331462 CVHZHJMEYZFVJS-LBPRGKRZSA-N 291.395 2.598 0 1 CFAF CCCCNc1cc(NC(=O)c2ccccc2)ncn1 169340289 ICCQVMBITVQOST-UHFFFAOYSA-N 270.336 2.941 0 1 CFAF Cc1ncc(/C=C2\C(=O)Nc3ccc(OC(C)C)cc32)[nH]1 205253024 YOXUFOOPPHHGER-NSIKDUERSA-N 283.331 2.998 0 1 CFAF COC(=O)c1ccccc1-c1cccc(C(=O)O)c1 16947618 WUPZXYHQWDAHQT-UHFFFAOYSA-N 256.257 2.838 0 1 CFAF CCOc1nc2c(Cl)ccc(Cl)c2c(=O)o1 3625582 MTCHUPSYKUKIOI-UHFFFAOYSA-N 260.076 2.894 0 1 CFAF CC(C)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H]1O[C@@H]2CC[C@@H]1C(=O)O 2356332205 AXMBGSMQXLXOCB-DMWPXEFISA-N 252.354 2.937 0 1 CFAF COC(=O)c1c(O)ccc2c1[C@H]1COc3ccccc3[C@@H]1O2 6482614 HUEIDPMALRFMJO-HWPZZCPQSA-N 298.294 2.789 0 1 CFAF Cc1c(N2CCCCC2)c(=O)oc2cc(O)cc(O)c12 53213708 IJKVCXTXGQFRDM-UHFFFAOYSA-N 275.304 2.503 0 1 CFAF C[C@H](c1ccc2c3c(c(=O)[nH]c2c1)CCCN3)N(C)C 118733879 LCDJKORPUPZVMK-SNVBAGLBSA-N 271.364 2.509 0 1 CFAF C[C@H]1C=CN(CCc2c[nH]c3ccccc23)C(=S)N1 103200578 DVCSLUQAVGPFOK-NSHDSACASA-N 271.389 2.803 0 1 CFAF O=C1[C@H]2CCCN2c2ccccc2N1Cc1ccncc1 29473987 VLYUNHTZUWSXSU-MRXNPFEDSA-N 279.343 2.597 0 1 CFAF NNc1nnc(-c2ccccc2C(F)(F)F)s1 28001786 LUPXFYQPUJRZPH-UHFFFAOYSA-N 260.244 2.510 0 1 CFAF C[C@@H]1CCC2=C(C(=O)O)CC[C@H](C(C)(C)O)C[C@H]21 2356579612 GNHYOXJPHJUUIT-NRUUGDAUSA-N 252.354 2.985 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2cccs2)C[C@@H]2CC[C@H]1O2 84602358 BFJBGRWXGVSGLZ-BTQIBKBOSA-N 252.335 2.572 0 1 CFAF CC1(C)[C@H]2C[C@@]3(CC[C@@]2(C)O)[C@@H](C(=O)O)CC[C@H]13 85840227 FRJSLEWOWKLZSF-XBIAIPMCSA-N 252.354 2.675 0 1 CFAF CC(=O)O[C@]12CO[C@@H]3C=C(C)CC[C@]3(C)[C@@]1(C)C[C@@H](O)C2 40872516 JOSWSHMILLNSHR-NQNKBUKLSA-N 294.391 2.595 0 1 CFAF Fc1ccc(Oc2cc(NC[C@@H]3CCCO3)ncn2)cc1 82067837 GICUMFAIMVMFDS-ZDUSSCGKSA-N 289.310 2.999 0 1 CFAF CCN1CCOC[C@@H]1CC(=O)Nc1ccc(C(C)C)cc1 299866996 PQSXIPXXPMZCKQ-INIZCTEOSA-N 290.407 2.859 0 1 CFAF COC[C@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 587398131 CEWMWPPTMGEVRQ-HNNXBMFYSA-N 263.337 2.584 0 1 CFAF Cc1ccc(OCc2nc3c(Cl)ncnc3[nH]2)cc1 587565421 HQYOJKMTICOLAY-UHFFFAOYSA-N 274.711 2.894 0 1 CFAF COc1cc(C)c(N)c(-c2nc3ccnc(OC)c3[nH]2)c1 587250008 RALKMZROQUURBX-UHFFFAOYSA-N 284.319 2.533 0 1 CFAF NC(=O)N1CCc2sccc2[C@]12CCC(F)(F)C2 962705872 HLQOJJIOUHVIOF-LLVKDONJSA-N 272.320 2.699 0 1 CFAF COc1ccc(/C=C2\N=C3C=CC(Cl)=CN3C2=O)cc1 1772579091 XSBXXIFYYVRPCN-JYRVWZFOSA-N 286.718 2.927 0 1 CFAF C[C@H]1CN(CC2CC2)CC[C@@]1(C)c1cccc(C(N)=O)c1 13587997 YDENFHQAXSZOKS-SCLBCKFNSA-N 286.419 2.795 0 1 CFAF COc1cc2c(cc1O)[C@@H]1COc3cc(O)ccc3[C@H]1O2 14820546 FPPWIEZFMZZUPL-MEDUHNTESA-N 286.283 2.716 0 1 CFAF endogenous,in-man CC(C)[C@H]1Cc2n[nH]c(=O)c3cc(F)cc4[nH]c(c2c43)C1 150194002 ISQUAVJORRNWGA-MRVPVSSYSA-N 285.322 2.914 0 1 CFAF COc1cc2c(cc1OC)[C@H](C1CC1)ON(C)CC2 6005386 YMUVNYBVMNPMIL-HNNXBMFYSA-N 263.337 2.574 0 1 CFAF C[C@@H](c1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C1=O 102207176 RWIZCLOKALYHLB-BPKBQXTESA-N 281.355 2.945 0 1 CFAF Cc1ccsc1-c1cccn(Cc2[nH]cnc2C)c1=O 26972249 NNTYKMWUAOFQEO-UHFFFAOYSA-N 285.372 2.965 0 1 CFAF CNc1nc(NCCCN(C)C)c2c(C)c(C)sc2n1 103263059 SMTXVOLRPVIHRD-UHFFFAOYSA-N 293.440 2.713 0 1 CFAF O=C(O[C@@H]1CN2CCC1CC2)n1ccc2ccccc21 26953917 ATJCEXDPRCAAOP-OAHLLOKOSA-N 270.332 2.720 0 1 CFAF C[C@@H]1C[C@H](O)C=C(C(=O)O)CC[C@H]2[C@H]1CC2(C)C 2356555359 RZADSQOICCRUDN-IXOXFDKPSA-N 252.354 2.841 0 1 CFAF CCOP(=O)(OCC)c1ccc(-c2cc(O)on2)o1 66112566 QKPDOOKETVFXDQ-UHFFFAOYSA-N 287.208 2.532 0 1 CFAF Cc1cccc(-c2nc3ccnc(N4CCOCC4)c3[nH]2)c1 74386785 WXGWHUCRKNJLGY-UHFFFAOYSA-N 294.358 2.770 0 3 CFAF Nc1ncnc2c1nc(Br)n2C1CCCCC1 40913393 IVKXIMVGTFMPDF-UHFFFAOYSA-N 296.172 2.676 0 1 CFAF in-vivo COc1c(O)cccc1CCc1cc(O)cc(O)c1 40901442 FNNQAZPVTHKZOI-UHFFFAOYSA-N 260.289 2.597 0 1 CFAF biogenic,in-vitro CSCn1cc(C(=O)c2ccccc2)ccc1=N 334157717 QIGXPHFTZOSKTP-UHFFFAOYSA-N 258.346 2.519 0 1 CFAF CCC(CC)C(=O)OCc1cccc2c1CCOC2=O 299859494 XWPKJWOAVZXYOY-UHFFFAOYSA-N 276.332 2.879 0 1 CFAF Cc1ccc2c(ccc3nc(CC4CC(N)C4)[nH]c32)n1 587254985 AZTYKXOUMNMACO-UHFFFAOYSA-N 266.348 2.699 0 1 CFAF O=C(O)C[C@@H]1Cc2nc3cccc4c3c(c2C1)CC4 587215896 WKXLKHHHVSARKR-VIFPVBQESA-N 253.301 2.523 0 1 CFAF N=c1[nH]cc(Cl)nc1-c1cc2c3c(cccc3n1)CC2 587209766 WVUQHVDFAAITNR-UHFFFAOYSA-N 282.734 2.856 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc(C)nc1C)O2 587393514 IHQPLHZGEISXNL-QGZVFWFLSA-N 297.358 2.865 0 1 CFAF COc1ccc(-c2nc3cncc(OC)c3[nH]2)c(Cl)n1 587083753 JOAOQBGRHJMMIJ-UHFFFAOYSA-N 290.710 2.691 0 1 CFAF O=C(NC1CCCC1)n1ncc2ccc(Cl)cc2c1=O 587653111 QCHKINCAIJDBED-UHFFFAOYSA-N 291.738 2.550 0 1 CFAF COc1cc2nc(C[C@@H]3CCC(=O)[C@H]3C)[nH]c2cc1OC 587960757 BJACWKOKBUWWER-UWVGGRQHSA-N 288.347 2.738 0 1 CFAF CS(=O)(=O)c1c(C(F)(F)F)[nH]c2cc(F)ccc12 587634303 XZRIVJSTUAINNG-UHFFFAOYSA-N 281.230 2.729 0 1 CFAF NCCOCc1nc2ccc(SC(F)(F)F)cc2[nH]1 587245849 ZRWPQGYJBYEZQP-UHFFFAOYSA-N 291.298 2.650 0 1 CFAF O=C(O)c1cccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc12 587176543 PTDUESKKYNPSDC-UHFFFAOYSA-N 296.261 2.944 0 1 CFAF COC(=O)c1ccc2nc(C(F)(F)C(F)F)[nH]c2c1 587089273 OAWLOGLRPWSGIR-UHFFFAOYSA-N 276.189 2.706 0 1 CFAF C[C@@H](c1nc2ccc(CO)cc2[nH]1)n1cc(Cl)cn1 587082774 VTFFQKPFHDEFKJ-QMMMGPOBSA-N 276.727 2.514 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccc(O)cc1O)[C@@H](C2)C3=O 587448876 HNSPAOLJIUJHBB-YVEFUNNKSA-N 298.294 2.595 0 1 CFAF CCOC(=O)c1s/c(=N\C(=O)c2ccccc2)oc1C 169568460 BPQDQQYSMSZKSD-PFONDFGASA-N 291.328 2.567 0 1 CFAF CC1(C)COC(c2ccc(Cc3c[nH]cn3)cc2)=N1 14979063 NSUJUQRJDQTZEV-UHFFFAOYSA-N 255.321 2.556 0 1 CFAF CC(=O)C[C@H]1c2ccccc2S(=O)(=O)N1C1CCCC1 12478408 OUBIUQKKBXQELE-AWEZNQCLSA-N 293.388 2.654 0 3 CFAF O=C(O)Cc1cn2nc(-c3cccc(Cl)c3)ccc2n1 1857611191 QOHGRTQINJXQND-UHFFFAOYSA-N 287.706 2.677 0 1 CFAF COc1cc(Nc2ccc3c(c2)CCC3)nc(OC)n1 1650296 AVNINNINMDLJBK-UHFFFAOYSA-N 271.320 2.726 0 1 CFAF CC1=C[C@@H]2O[C@H](C[C@]3(C)C[C@H](O)C(=O)O3)C[C@@H](C)[C@@H]2CC1 2356323343 BTUXDAQOACITBL-WSRVUTDQSA-N 294.391 2.593 0 1 CFAF COC(=O)c1cc(C)cc2c1N(C)C(=O)c1cccnc1O2 6521867 MJMDFEZUPZGSHT-UHFFFAOYSA-N 298.298 2.559 0 1 CFAF O=C(O)C(=O)CC(=O)c1cccc(Oc2ccccc2)c1 28456588 RSLTYLKWAOZHJA-UHFFFAOYSA-N 284.267 2.705 0 1 CFAF COC(=O)[C@H]1[C@@H](c2ccccc2)N1Cc1ccccc1 28530585 CWIVVRPOHJFJTG-JNIOUFIGSA-N 267.328 2.785 0 1 CFAF CC(=O)O[C@@H]1C[C@H](C)[C@@H]2C[C@H]3CC[C@@](C)(OC3)[C@@H]21 2356563139 RIOVTHASCWPDPA-LKAWMXSOSA-N 252.354 2.779 0 1 CFAF CC=C1CN2CC[C@]34C(=Nc5ccccc53)[C@H](CO)[C@H]1C[C@@H]24 2356649536 PKSXQJQSOYBVHM-CHWQCYJSSA-N 294.398 2.673 0 1 CFAF CCCCC[C@@H](C[C@H](O)C[C@@H]1CC=CC(=O)O1)OC 71340564 JJFJQEIHTAJVJL-IHRRRGAJSA-N 270.369 2.595 0 1 CFAF CCNC(=O)Nc1nc2cc(-c3cccnc3)c(F)cc2[nH]1 40895127 BZHOCXNKZAJZJC-UHFFFAOYSA-N 299.309 2.905 0 1 CFAF O=c1nc(Oc2ccc(Cl)cc2)[nH]c2cnccc12 222224226 LKQWIIJIQQWUAN-UHFFFAOYSA-N 273.679 2.764 0 1 CFAF COc1cc(NCC[C@@H](C)N)c2nccc(C)c2c1OC 84689607 YQBVLUHZIZEFMW-LLVKDONJSA-N 289.379 2.710 0 1 CFAF COc1cccc(N2CCN(c3cnccc3C)C2=O)c1 148299068 RVXWPFRBHJOZMW-UHFFFAOYSA-N 283.331 2.845 0 1 CFAF CCc1nc2ccc3c(c2o1)[C@@H](CCNC(C)=O)CC3 96174399 FIPHYUVXAUQDEU-GFCCVEGCSA-N 272.348 2.946 0 1 CFAF C[C@@H]1CC[C@H]2C(C)(C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 299819521 DETKYIOHRCKRIT-WOKFAWRRSA-N 280.364 2.853 0 1 CFAF CCNC(=O)c1sc2nc(OC)c(Cl)c(C)c2c1N 653709023 KTWKMFAYMHUAEI-UHFFFAOYSA-N 299.783 2.599 0 1 CFAF COc1cc2c3c(c1)O[C@](C)([C@]1(C)CCCO1)[C@@H](C2)C3=O 587455936 RBEJPLKBMREUCW-ZLIFDBKOSA-N 288.343 2.770 0 1 CFAF Cc1cnc2[nH]c(/C=C3/OC(=O)c4ccccc43)nc2c1 586905866 FNAXQNGWVQFAGF-NTUHNPAUSA-N 277.283 2.935 0 1 CFAF OCC12CCC(c3nc4cnc(Cl)[nH]c-4n3)(CC1)CC2 586895527 LIGAUTFMHNSVJN-UHFFFAOYSA-N 292.770 2.542 0 1 CFAF CN[C@@H](c1cccnc1)c1nc2cc(OC)c(C)cc2[nH]1 587222372 KHPUMSKEQOSQKE-HNNXBMFYSA-N 282.347 2.584 0 1 CFAF O=C(O)/C=C/C=C\c1nc2c(cnc3ccccc32)[nH]1 587967030 FZEUYGTVTIXCLU-KYPMKJFLSA-N 265.272 2.765 0 1 CFAF OCCc1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1 586918380 LVLHLNZRIUFKEZ-INIZCTEOSA-N 296.326 2.610 0 1 CFAF OCCc1nc2cc(Br)cc(Cl)c2[nH]1 586894607 OBLGCIWNDOGOHP-UHFFFAOYSA-N 275.533 2.514 0 1 CFAF CC[C@@]1([C@@H]2CCOC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587454401 TZCAPSKMESSABL-NDGTYSDOSA-N 288.343 2.628 0 1 CFAF O=C1O/C(=C/c2nc3cc(F)cnc3[nH]2)c2ccccc21 586906256 KIMFVGGHOBQOQF-WUXMJOGZSA-N 281.246 2.766 0 1 CFAF CCNC(=S)n1nc2cc1Oc1ccc(F)cc1-2 587876267 MXVSEMZYPJVACK-UHFFFAOYSA-N 263.297 2.537 0 1 CFAF CC(C)(C)[C@@H]1CCc2cc3c(O)nc(O)nc3nc2CC1 587562072 OYEJPWBNIPENDU-SNVBAGLBSA-N 287.363 2.977 0 1 CFAF c1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(C2CC2)o1 586902189 VLZPMZYDNUUWLL-UHFFFAOYSA-N 292.302 2.676 0 1 CFAF COc1cncc2nc(/C=C/c3ccc(N)cc3)[nH]c12 587252306 VYJYIQJAXYLUJS-QPJJXVBHSA-N 266.304 2.719 0 1 CFAF CN(C)CCn1ccc2ccc(N3CCSCC3)cc21 13587947 VZIQPOLEBWNSJJ-UHFFFAOYSA-N 289.448 2.756 0 1 CFAF COc1ccc(OC)c2c1CC[C@@H](CN1CCCC1)C2=O 169319273 RHXNLDPTFQGWAU-LBPRGKRZSA-N 289.375 2.545 0 1 CFAF CN=c1cc2nc(-c3ccccc3OC)sc2c[nH]1 1857606516 IODLUBXUZTUIOZ-UHFFFAOYSA-N 271.345 2.831 0 1 CFAF COc1ccccc1NC(=O)[C@@H]1CCCC[C@]1(C)C(=O)O 1857771234 KHNYQPQINITBQI-ZBEGNZNMSA-N 291.347 2.915 0 1 CFAF C[C@H]1CCC[C@@H](C[C@@H]2Cc3cc(O)cc(O)c3C(=O)O2)O1 5751980 WOMKDMUZNBFXKG-XDTLVQLUSA-N 292.331 2.527 0 1 CFAF COc1ccc2c(c1)C(=O)[C@@H](CN1CCCCC1)CC2 2000026 WOQNPZDMMKKFPR-CQSZACIVSA-N 273.376 2.926 0 1 CFAF Cc1ccc2c(c1)[C@@H](N1CCCCC1=O)[C@H](O)C(C)(C)O2 3779500 INRLVAIOVCOPHJ-CVEARBPZSA-N 289.375 2.581 0 1 CFAF CCC[C@@H]1CN(CCC)Cc2cccc3[nH]c(=O)n1c23 6381049 LQZVBCHQMYTFEX-CYBMUJFWSA-N 273.380 2.896 0 1 CFAF C[C@H](Nc1ccccc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 29405676 SEHHKQQZYWVTJL-NTQSIJHJSA-N 288.391 2.655 0 1 CFAF C[C@H](C(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CCC(=O)NC3=CC[C@]12C 2356438773 RXYKCVVRCSCETH-BGCDDMGFSA-N 277.364 2.553 0 1 CFAF 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CCc1nccn1C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587390718 NJTORBXZRDNZHG-QGZVFWFLSA-N 299.374 2.760 0 1 CFAF CCc1nccn1-c1c(C)[nH]c2c(C(=O)O)cccc12 587637338 BMMJUAIOFPRDSP-UHFFFAOYSA-N 269.304 2.923 0 1 CFAF COc1ccc(C=O)c(-c2nc3ccnc(C)c3[nH]2)c1OC 587786281 KWHCUPVMONRFEK-UHFFFAOYSA-N 297.314 2.763 0 1 CFAF Clc1ncc2nc(-c3csc4c3CCOC4)nc-2[nH]1 587031890 NDZJLDPMROTJBA-UHFFFAOYSA-N 292.751 2.759 0 1 CFAF Nc1cc2nc(-c3ccc4oc(=O)ccc4c3)[nH]c2cc1N 586918198 LPUNNAXLOIPPMM-UHFFFAOYSA-N 292.298 2.501 0 1 CFAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1cnccn1 963097016 FGRHIFCKVIGRQO-BBRMVZONSA-N 269.323 2.726 0 1 CFAF CC(=O)Oc1ccccc1/C=C/C(=O)Nc1nccs1 1857640202 AJSVJQJVFXAZGQ-VOTSOKGWSA-N 288.328 2.720 0 1 CFAF COc1cc2c(cc1OC)[C@@H](Cc1cccc(O)c1)NCC2 13360802 CXSWXIPKUMQPQH-MRXNPFEDSA-N 299.370 2.839 0 1 CFAF c1ccc(OCCNC[C@@H]2CO[C@H](c3ccccc3)O2)cc1 13517536 SBYUKHBAZJUFBU-MSOLQXFVSA-N 299.370 2.769 0 1 CFAF O=c1[nH]c(-c2ccccc2)nn1-c1cc(Cl)ccc1O 13587046 MPTYPXUPTRAACC-UHFFFAOYSA-N 287.706 2.587 0 1 CFAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCO)O2 13652338 RUYZTDOMKYWHFC-HNNXBMFYSA-N 250.338 2.784 0 1 CFAF Cc1ccc2ccc(S(=O)(=O)n3ccnc3C)cc2c1 196315 UHEVEJQQLXQZJT-UHFFFAOYSA-N 286.356 2.890 0 1 CFAF Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1C 3913083 UUYUSNTYGICKSX-CUFDPUGPSA-N 267.328 2.615 0 1 CFAF O=C(O)Cc1cn(C(=O)c2ccccc2)c2ccccc12 103175168 WJZAUHSWEJWXPU-UHFFFAOYSA-N 279.295 2.957 0 1 CFAF Clc1nss/c1=N\c1ccc2c(c1)OCCO2 26402467 CDPRZRZOTUAGAV-BENRWUELSA-N 286.765 2.862 0 1 CFAF COc1cc2c(cc1OC)C1=C(CC(=O)O1)C(C)(C)O2 103212197 OVROFNPZPAQCIG-UHFFFAOYSA-N 276.288 2.533 0 1 CFAF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]43C)[C@@H]1CC[C@@H]2O 26395631 DOFRSNSWULWZJS-BYZZUOAOSA-N 289.419 2.645 0 1 CFAF CSc1ccc2ccc3nc(C(=O)O)cn3c2c1 40465796 NYBJCXLWWOEFCA-UHFFFAOYSA-N 258.302 2.908 0 1 CFAF CCNC(=S)N1NC2=C(CCCC2)[C@@H]1c1ccco1 45366420 QGPMLMREOAIHHL-CYBMUJFWSA-N 277.393 2.863 0 1 CFAF O=C(c1ccc2c(c1)OCO2)c1c[nH]c2cnccc12 1911583201 HLKUTRCGJXOFLI-UHFFFAOYSA-N 266.256 2.523 0 1 CFAF c1cncc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1 84596543 VGGLCLRJOAFYQO-UHFFFAOYSA-N 278.319 2.883 0 1 CFAF C1=C2CCN3Cc4cc5c(cc4[C@H](CC1)[C@@H]23)OCO5 45301034 VAQPSRCIHJPJEJ-BLLLJJGKSA-N 255.317 2.807 0 1 CFAF COc1nn2cc(-c3nc4c(C)cccc4o3)nc2s1 653753153 LIWMNSQIQQBDDH-UHFFFAOYSA-N 286.316 2.916 0 1 CFAF Cc1cc2nc(CC3OCCO3)[nH]c2cc1Br 586909293 WUZZRFGRKDVFQF-UHFFFAOYSA-N 297.152 2.549 0 1 CFAF N[C@H](N=O)c1ccc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2c1 587093949 VPFQETDWKWLKBF-MHYGZLNHSA-N 284.241 2.952 0 1 CFAF CNC(=O)[C@@H]1C[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 587235918 SGPJYAFQHLAUSG-PHDIDXHHSA-N 284.146 2.719 0 1 CFAF Cc1ncsc1CCc1nc2c(C)nccc2[nH]1 587028342 SHZFNVCTNXTFCB-UHFFFAOYSA-N 258.350 2.816 0 1 CFAF Cc1cc(Br)cc2nc(C[C@H](C)O)[nH]c12 586892218 UIWNFAJHEGYFDB-ZETCQYMHSA-N 269.142 2.557 0 1 CFAF CC(C)C[C@H](N)COc1ccccc1N1CCCC1=O 1772592885 YKMZKPFHIUJTET-ZDUSSCGKSA-N 276.380 2.566 0 1 CFAF CC(=O)SC[C@H](CCCc1ccccc1)c1nn[nH]n1 1772590735 UBDGPNCDIDTRMO-ZDUSSCGKSA-N 290.392 2.586 0 1 CFAF CC(=O)[C@@H]1C[C@]2(c3ccccc3)C(=O)c3ccccc3N2O1 5712628 YZWBVQPLHHHLEF-WMZOPIPTSA-N 293.322 2.878 0 1 CFAF CCOC(=O)[C@@]1(Cc2ccccc2C)CCCN(C)C1 12588725 JKZSEMGMIMGYNE-QGZVFWFLSA-N 275.392 2.813 0 1 CFAF COc1ccc(-n2ncc(C(=O)c3ccccc3)c2N)cc1 13683005 VUJADEWYMKRZLQ-UHFFFAOYSA-N 293.326 2.694 0 1 CFAF Cc1[nH]c(C(=O)O)c(/C=C/C(=O)Nc2ccccc2)c1C 13778814 STBXSQOCDHYWJU-CMDGGOBGSA-N 284.315 2.982 0 1 CFAF CN1C(=O)[C@H]2O[C@@H](c3ccccc3)[C@@H]1[C@H]2c1ccccc1 14950106 QVGJMLNUOQHRAS-QZWWFDLISA-N 279.339 2.751 0 1 CFAF endogenous,in-man CN1CC=C(c2c[nH]c3ccc([S@@](C)=O)cc23)CC1 13731891 IQSQLDXPUMAYBE-IBGZPJMESA-N 274.389 2.624 0 1 CFAF O=C1c2c(Cl)ccnc2-c2nccc3ccnc1c23 27102812 PRRCPGPQYCZMFC-UHFFFAOYSA-N 267.675 2.890 0 1 CFAF O=C(CNCc1ccco1)Nc1ccccc1-n1cccc1 4093075 WFMVTIBCFZGXPK-UHFFFAOYSA-N 295.342 2.799 0 3 CFAF Cc1ccc2c(=O)[nH]c3c(c2c1)[C@H](O)c1ccccc1-3 28955626 VBPFMYGRDOJEGP-MRXNPFEDSA-N 263.296 2.899 0 1 CFAF CCCCCC[C@H]([C@@H](C)O)n1cnc2c(N)ccnc21 28219814 JZTWTHJFDIWAKD-DGCLKSJQSA-N 276.384 2.906 0 1 CFAF CC[C@@H](CO)Nc1ccn2nc(-c3cccs3)cc2n1 61907419 JODBLGSITJUTOR-JTQLQIEISA-N 288.376 2.641 0 3 CFAF CCCCOC(=O)C[C@H]1CC(c2ccc(O)cc2)=NO1 34633598 DZAWJANOIFAQBD-CYBMUJFWSA-N 277.320 2.619 0 1 CFAF O[C@H]1CCCN(c2nccc3c2[nH]c2ccccc23)C1 28456342 HAUXWSFNSJPJBM-NSHDSACASA-N 267.332 2.677 0 1 CFAF CC(C)c1cccc(C(C)C)c1OC(=O)COCC(=O)O 1911578901 ZDBLIHMVBCBJNE-UHFFFAOYSA-N 294.347 2.940 0 1 CFAF O=Cc1ccc(/C=C/c2nc3ccccc3c(=O)[nH]2)cc1 49071373 MXLVYVVVPLYOHW-MDZDMXLPSA-N 276.295 2.906 0 1 CFAF CCC[C@H](C)Nc1ncnc2cnc(N(C)C)cc12 40973100 ITXSJSUWVPCLHX-JTQLQIEISA-N 259.357 2.691 0 1 CFAF O=C1CCCCCCC(=O)[C@H](O)C[C@H](c2ccccc2)O1 199201821 ISJSMOKRLOOHAU-HZPDHXFCSA-N 290.359 2.945 0 3 CFAF O=C(C1CC1)N1CCCn2nc(COc3ccccc3)cc21 473150177 LAIRLBIWFMAKAV-UHFFFAOYSA-N 297.358 2.609 0 1 CFAF C[C@H](CC(=O)O)n1nc2ccc3ccccc3c2n1 653754829 ADTYDTWPIPZGAO-SECBINFHSA-N 255.277 2.620 0 1 CFAF Cc1[nH]c2ccc(F)c(Cl)c2c1N1C(=O)CCC1=O 587631686 HXHYXBCHGZKCJM-UHFFFAOYSA-N 280.686 2.922 0 1 CFAF COc1ccc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2n1 587115701 XJTCXFRZDWYOSU-UHFFFAOYSA-N 296.252 2.991 0 1 CFAF CCC[C@@H](c1nc2[nH]c(=N)[nH]c(Cl)c-2n1)C(C)C 587955481 PNBVUBPMEACFTP-SSDOTTSWSA-N 267.764 2.910 0 1 CFAF COC(=O)[C@H](N=O)c1nc2cccc3c2c(c1C)CC3 587214418 ZQFKGINRCUCOGG-CQSZACIVSA-N 270.288 2.622 0 1 CFAF N=c1cc2nc([C@H]3SCCc4sccc43)[nH]c2c[nH]1 587036411 ABXDETJXHYGFHT-LBPRGKRZSA-N 288.401 2.811 0 1 CFAF O=C1CCC[C@@H](c2nc3cc4c(cc3[nH]2)OCO4)CC1 586888016 VXNGXHAMXWNXRY-SECBINFHSA-N 272.304 2.908 0 1 CFAF Cc1cc2[nH]c(C[C@H]3CCC(=O)[C@H]3C)nc2c(C)n1 587963596 PAKWLMDPGIBGHE-GXSJLCMTSA-N 257.337 2.732 0 1 CFAF CC[C@]1(C)C[C@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586885895 AIIWHTPLUGMEMN-IINYFYTJSA-N 278.377 2.870 0 1 CFAF CCn1ncnc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587517942 XMXUBMOPNOZIGP-HNNXBMFYSA-N 297.358 2.883 0 1 CFAF O=C(O)/C=C/C=C/c1nc2c(Br)cccc2[nH]1 587964846 DAWWWKZMJLBYDR-LWBLAMGCSA-N 293.120 2.979 0 1 CFAF CC[C@]1(C2CCNCC2)CC(=O)c2cc(C)cc(N)c2O1 587402586 ZNOYTXWLDCTNOZ-QGZVFWFLSA-N 288.391 2.691 0 1 CFAF c1ccc(C2=NO[C@H]3COc4ccccc4OC[C@@H]23)cc1 5893103 IIAKATNTLDMOGD-CJNGLKHVSA-N 281.311 2.877 0 1 CFAF CCCOc1cc(NC(C)=O)nc(SCCC)n1 14975605 MFLLCAQHZQKDSI-UHFFFAOYSA-N 269.370 2.726 0 1 CFAF C[C@@]12CC[C@@H]3[C@@H](CC[C@@H]4C(=O)NCC[C@@]43C)[C@@H]1CC[C@@H]2O 169311222 HSMQDJJGFZMMRG-KEAYZLOZSA-N 291.435 2.726 0 1 CFAF COc1cccc(CN2C3C[C@@H]4C[C@@H](C3)CC2(O)C4)c1 101437623 XQORBYAYEJTRQY-JPQBHMHHSA-N 273.376 2.778 0 1 CFAF CCO[C@@H]1OC(=O)C(Cl)=C1Nc1ccccc1C 8683185 XRSUXRAHWOTJNO-CYBMUJFWSA-N 267.712 2.777 0 3 CFAF ClC1(Cl)[C@@H]2CCO[C@]21n1cnc2ccccc21 102944624 FBFWSQQSRNUUDF-CMPLNLGQSA-N 269.131 2.913 0 1 CFAF CN(C(=O)[C@]12C[C@H]1C(=O)c1ccccc1O2)c1ccccc1 27863024 MTIBTLMVJDLQSG-KSSFIOAISA-N 293.322 2.683 0 1 CFAF COc1cc(-c2cc(O)c(OC)c(OC)c2)ccc1O 2356751914 XJRLNDDRFRCJDW-UHFFFAOYSA-N 276.288 2.791 0 1 CFAF CC[C@H](O)C[C@@H]1CC=C[C@@H](C[C@H](CC)OC)N1C 2356756514 KHRQOARMKNDSNW-AJNGGQMLSA-N 255.402 2.591 0 1 CFAF Cc1nc(N)c(CN)c(-c2ccc(Cl)cc2Cl)n1 27183667 SGJHOQOKDASCIO-UHFFFAOYSA-N 283.162 2.800 0 1 CFAF COC(=O)[C@@]1(C)CCC[C@]2(C)C3=C(CC[C@@H]12)COC3=O 34337894 AWWBFEOENJFBHI-RLCCDNCMSA-N 278.348 2.619 0 1 CFAF c1ccc2c(c1)CC(N1CCC[C@H](N3CCCC3)C1)C2 39445582 PWBLZZAQCSVNJI-KRWDZBQOSA-N 270.420 2.714 0 1 CFAF CN(C)Cc1ccc(-c2nn(C)c3ccccc23)o1 73200111 MQDLXEYYKJYJQF-UHFFFAOYSA-N 255.321 2.895 0 1 CFAF CN1C(=O)CC[C@@]2(C)c3c(c4cc(O)ccc4n3C)CC[C@@H]12 40564387 GCSABMRAHKPUAM-CRAIPNDOSA-N 298.386 2.709 0 1 CFAF CNc1nc(C)nc2c(-c3cc4ccccc4o3)cnn12 40380736 MFCAARVZTOBSLS-UHFFFAOYSA-N 279.303 2.888 0 1 CFAF O=C(O)c1ccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2c1 587176936 WIBOERFLUKDOKB-UHFFFAOYSA-N 296.261 2.944 0 1 CFAF COc1cncc2nc(/C=C\c3ccccc3C(=O)O)[nH]c12 586879330 LJYUNZIPFACQRI-SREVYHEPSA-N 295.298 2.835 0 1 CFAF CC/C(C)=C(\N)c1c(C)[nH]c2ccc(S(C)(=O)=O)cc12 587650336 JSZNMMHGHPAXHF-DHDCSXOGSA-N 292.404 2.980 0 1 CFAF Nc1c(-c2nc3ncc[nH]c-3n2)ccc2ccccc12 587253231 FEXKRHYWANYSAG-UHFFFAOYSA-N 261.288 2.707 0 1 CFAF OCc1ccc(-c2nc3cc4[nH]ncc4cc3[nH]2)cc1 586895474 IRACRNIQICFONB-UHFFFAOYSA-N 264.288 2.599 0 1 CFAF Cc1cc2[nH]c([C@H](N)c3ccsc3)nc2c(C)n1 587024948 CYIAUIZIYBVZOG-LLVKDONJSA-N 258.350 2.684 0 1 CFAF COc1ccc(F)c2c1CC[C@@H](CN1CCCC1)C2=O 169319262 AIVXMTZEZAIYHV-NSHDSACASA-N 277.339 2.675 0 1 CFAF CCC(=O)[C@H]1C(=O)CC(C)(C)[C@@H](c2ccccc2)C1=O 169692020 BCOQVDDZFQCFDH-GJZGRUSLSA-N 272.344 2.934 0 1 CFAF COc1ccc(-c2noc(-c3n[nH]cc3Cl)n2)cc1 1212660422 WOTKYZXZGIFPTA-UHFFFAOYSA-N 276.683 2.789 0 1 CFAF CN1CCN(c2nccc3c2CCc2ccccc2-3)CC1 13797057 QBPBAVLPSVMXHP-UHFFFAOYSA-N 279.387 2.599 0 1 CFAF CCc1ccc(O[C@@H](C)[C@H](O)CNC(C)(C)C)cc1 28227913 DWGXLLQFKBFURM-SWLSCSKDSA-N 265.397 2.765 0 1 CFAF CC(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2)cc1 100107500 KNJVCQYYPMEDEV-REPLKXPHSA-N 292.382 2.640 0 1 CFAF Cn1ccc2c1CCN(CCCOc1ccc(F)cc1)C2 27308041 NDZSZEYESLWNDQ-UHFFFAOYSA-N 288.366 2.991 0 1 CFAF CC(C)N[C@H](C)[C@H](O)COc1cccc2ccccc12 28767306 CILPUBLECPRREJ-CZUORRHYSA-N 273.376 2.966 0 1 CFAF CC(=CC(=O)O)[C@@H]1OC[C@]23CCCC(C)(C)[C@H]2[C@@H]13 2356528573 ZTYVCEZGXCLVBN-COMQUAJESA-N 250.338 2.859 0 1 CFAF CC[C@H]1CN2CC[C@@]34C(=Nc5ccccc53)[C@H]2C[C@H]1[C@@H]4CO 2356568877 PYMHIOSGBXFQPS-VRZJVUMKSA-N 296.414 2.753 0 1 CFAF Nc1nc(-c2ccccc2)c2c(n1)-c1ccccc1C2=O 28136015 UVUYDEPVVFJIAY-UHFFFAOYSA-N 273.295 2.937 0 1 CFAF COCCOCCCCc1[nH]c2ccccc2c(=O)c1C 73196320 PQYHUSRDVJDIMP-UHFFFAOYSA-N 289.375 2.822 0 1 CFAF COC(=O)C/C=C1\c2ccc(OC)cc2[C@H](OC)[C@@H]1C 72139502 LEYPXOBPYVCVHC-ANDPKMBRSA-N 276.332 2.979 0 1 CFAF Cc1ccccc1-c1nn(O)cc1C1CCNCC1 49110256 VBHGLAXPLKBHPW-UHFFFAOYSA-N 257.337 2.563 0 1 CFAF NCc1cc(=O)oc2cc(OCc3ccccc3)ccc12 45287788 XCWHFSADYQMGEA-UHFFFAOYSA-N 281.311 2.831 0 1 CFAF in-vivo COC(=O)C1=C[C@@]2(C)CC[C@@H]3[C@@H](C)C[C@H](O)[C@@]32[C@@H]1C 137766857 DNRAOJZIENMCLJ-QWEUOZPOSA-N 264.365 2.539 0 1 CFAF CC[C@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3 195144251 POIANFSUDFGZHE-JVGKAEOOSA-N 280.364 2.853 0 1 CFAF Cc1cc2ccc(=O)oc2cc1OC/C=C/C(C)(C)O 238754108 HFTAFOQKODTIJY-QPJJXVBHSA-N 274.316 2.807 0 1 CFAF C/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2CC[C@H](C)C(=O)CC1 238759682 XGVLEFRYWCUHGZ-KLHVYLSRSA-N 250.338 2.890 0 1 CFAF CC(C)COc1cccc(OCc2nc3ncc[nH]c-3n2)c1 587565873 LVPAETMMAPDSIC-UHFFFAOYSA-N 298.346 2.918 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](C1[C@@H]3COC[C@@H]13)CC2=O 587492639 RLXWUMFVSJIOAT-JMSVASOKSA-N 288.343 2.571 0 1 CFAF C[C@H]1CCO[C@H]1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874243 ZEJLCJQJAOGPRI-RMLUDKJBSA-N 288.278 2.860 0 1 CFAF CC(C)[C@@H](c1nc2cc(Cl)cnc2[nH]1)N(C)C 587198567 KLUIFPZUSGZALZ-JTQLQIEISA-N 252.749 2.870 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)nc1)[C@@H](C2)C3=O 587437306 ZGVRZBWOQLHWBS-SJCJKPOMSA-N 297.310 2.588 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@@H]1CC3=O)O2 587408588 QFYIOKYKOUXVLB-CZIZLABSSA-N 285.343 2.670 0 1 CFAF C[C@@H](C(=O)O)c1ccc2cc([S@](C)=O)ccc2c1 1857571747 WSORMMUWTNPYQP-LZVRBXCZSA-N 262.330 2.765 0 1 CFAF COc1cc2ccnc([C@H](O)c3ccc(O)cc3)c2cc1O 13365900 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28712203 DUMANVNIGSMOTN-UHFFFAOYSA-N 271.301 2.678 0 1 CFAF O=C1N=C(NC2C3CC4CC(C3)CC2C4)OC12CCCC2 28823997 VFQIZPSQHCJETJ-UHFFFAOYSA-N 288.391 2.626 0 1 CFAF COc1ccc(CN/C=C2\C(=O)Nc3ccccc32)cc1 101928127 RGGKYLZQVITWKC-PTNGSMBKSA-N 280.327 2.778 0 3 CFAF COC(=O)c1[nH]c(C(=O)OC)c(C)c2c3ccccc3nc1-2 100808230 UHYWWBVXEILABN-UHFFFAOYSA-N 298.298 2.549 0 1 CFAF c1ccc2c(c1)CCN2c1cncc(OC[C@@H]2CCCN2)c1 64539796 WUBOKQPNSKGYLH-HNNXBMFYSA-N 295.386 2.907 0 1 CFAF COc1ccc2c(c1)O[C@@H]1c3ccc(O)cc3OC(=O)[C@@H]21 2356411243 ZVPPEISOWXTPEL-LSDHHAIUSA-N 284.267 2.537 0 1 CFAF CO[C@@H]1O[C@H](C)Cc2ccc3c(c21)O[C@@H](C(C)C)C3=O 2356448093 OOXIYCFKVAWYJC-WKFLNTIRSA-N 276.332 2.893 0 1 CFAF O=C(O)c1cc2ccc(-c3ccc4c(c3)OCO4)cc2n1O 73139170 GWLMJYDHCHDICI-UHFFFAOYSA-N 297.266 2.973 0 1 CFAF CSc1ncnc2c1ncn2[C@@H]1C[C@H]2CC[C@@H]1C2 72107483 FGSOFKDGAHLLQV-IVZWLZJFSA-N 260.366 2.909 0 1 CFAF Cc1cc(Cc2cccc3cc(O)ccc23)n(O)c(=O)c1 299838246 TZRYCJMJXKSOPB-UHFFFAOYSA-N 281.311 2.844 0 1 CFAF 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KIPCQIXWBJOIKW-UHFFFAOYSA-N 279.347 2.715 0 1 CFAF O=c1oc2ccc(O)cc2cc1-c1cc(O)cc(O)c1 28565929 DKFCOAXLNVHDTF-UHFFFAOYSA-N 270.240 2.577 0 1 CFAF in-vivo CC(C)[C@@H]1CC[C@H](C(=O)O)[C@@H]2CCC(C(=O)O)=C[C@@H]12 2356691163 ZOKQSCUWIKMMTB-CYDGBPFRSA-N 266.337 2.790 0 1 CFAF CCCC[C@@H]1C[C@H]([C@]2(CC)OC(=O)C[C@H]2O)[C@@](O)(CC)C1 2356775280 KILGSMQFCGHEAC-QZCUMHFISA-N 298.423 2.801 0 1 CFAF COc1cccc2c1CCC[C@H]2NC(=O)c1conc1C 34441570 DGPBBPXGXHDOBA-CQSZACIVSA-N 286.331 2.799 0 1 CFAF O=C1CC(=O)O[C@@](CCc2ccc(O)cc2)(C2CCC2)C1 35013102 UDFALRZULFYCQB-QGZVFWFLSA-N 288.343 2.770 0 1 CFAF O[C@@](c1cncnc1)(c1ccccn1)c1ccccc1Cl 72103449 RVLRSIRVOUCLLY-MRXNPFEDSA-N 297.745 2.809 0 1 CFAF COC[C@]1(O)[C@@]2(C)[C@@H]3CCC[C@@]2(C)[C@@H](C3)[C@@]12CCC[C@H]2O 85545592 UUORLUZANDRGRZ-GAPQHXOJSA-N 294.435 2.741 0 1 CFAF biogenic,in-vitro Cc1cc([S@@](=O)Cc2cc(O)n[nH]2)c(C)cc1Cl 95553629 LLYDYCITFBXENR-GOSISDBHSA-N 284.768 2.693 0 1 CFAF CCN(CC)[C@@H]1CN(Cc2ccc(C)o2)[C@@H]2CCCO[C@H]12 96090884 OYDWWZWPYSOULH-ZACQAIPSSA-N 292.423 2.662 0 1 CFAF COc1cnc(-c2nc3c(OC)cncc3[nH]2)cc1Cl 587064236 FYPOBOWKXZZQMM-UHFFFAOYSA-N 290.710 2.691 0 1 CFAF Oc1cccc(CCc2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 586895846 BNBQFXJWNGPTMH-UHFFFAOYSA-N 294.314 2.636 0 1 CFAF C[C@@H]1CC=CC[C@H]1c1nc2ccc(C(=N)N)cc2[nH]1 587968311 ZBEXLQKSBOERRW-MWLCHTKSSA-N 254.337 2.917 0 1 CFAF CC1(C)OC(=O)C[C@@H]1c1nc2c(F)cnc(Cl)c2[nH]1 586910048 NLBVKFQQLDWZSJ-RXMQYKEDSA-N 283.690 2.560 0 1 CFAF N[C@@H](c1nc2ccc(OC(F)(F)F)cc2[nH]1)C1CC1 587255293 CDWFJFGAGNTWGL-SNVBAGLBSA-N 271.242 2.871 0 1 CFAF Oc1nc(O)c2ccc(CSc3ccccc3)nc2n1 587562586 GRGOKMIKUORUKX-UHFFFAOYSA-N 285.328 2.728 0 1 CFAF C[C@H](O)c1ncc(-c2nc3cncc(Cl)c3[nH]2)s1 587020682 ARSJBKFLIIOTSC-YFKPBYRVSA-N 280.740 2.788 0 1 CFAF Cc1cc2[nH]c(-c3cccc(CO)c3)nc2c(C)n1 586894909 GNSZGFBEEIWBOC-UHFFFAOYSA-N 253.305 2.734 0 1 CFAF COc1ccc2c(c1)CN(Cc1ccc([N+](=O)[O-])o1)CC2 92507613 CJHNXZYZOAVRSW-UHFFFAOYSA-N 288.303 2.755 0 1 CFAF Cc1cc2c(cc1F)[C@]1(C=C[C@H]3OC(C)(C)O[C@H]31)NCC2 962094781 SIAGBFXSRCOOAY-INMHGKMJSA-N 289.350 2.565 0 1 CFAF Brc1cnn(-c2ccnc3[nH]ccc23)c1 113123413 QLLIMHMHHCTYNQ-UHFFFAOYSA-N 263.098 2.511 0 1 CFAF CN[S@@](C)(=O)=Nc1ccc(C(F)(F)F)cc1 1772610902 JTAXARFICOHYMR-MRXNPFEDSA-N 252.261 2.569 0 1 CFAF CSc1n[nH]c(N)c1C(=O)Nc1ccc(Cl)cc1 5543625 YSMOMJMTPUQNKG-UHFFFAOYSA-N 282.756 2.620 0 1 CFAF O=c1cc(-c2cccc(O)c2)[nH]c2cc3c(cc12)OCO3 5580723 RBWSFAFFIMVTFK-UHFFFAOYSA-N 281.267 2.629 0 1 CFAF COc1ccccc1SC(=O)c1cccc(C=O)n1 13487711 QCFRPTDVCMUBNR-UHFFFAOYSA-N 273.313 2.835 0 1 CFAF O=C(O)Cn1ccc(C(=O)c2ccc(-n3cccc3)cc2)c1 13493082 ZNNPTMLVELVFJR-UHFFFAOYSA-N 294.310 2.594 0 1 CFAF Cc1sc2ncnc(N)c2c1-c1ccc(N)cc1 13673577 XEYSOBWTYDZKAV-UHFFFAOYSA-N 256.334 2.831 0 1 CFAF COc1cc2c(cc1O)C[C@H](Cc1ccc(O)cc1)CO2 14810989 FLRPAVYKQSVYEK-LBPRGKRZSA-N 286.327 2.900 0 1 CFAF biogenic,in-vitro C(=C1CN2CCC1CC2)c1ccc(C2OCCO2)cc1 1857624441 XVNXKIXYFBYGNP-UHFFFAOYSA-N 271.360 2.841 0 1 CFAF CCOc1cc(CCN)cc(SCC)c1OC 27752164 BTJFGKUKBHSKHI-UHFFFAOYSA-N 255.383 2.707 0 1 CFAF CC(=O)N(CCO)c1ccc(Oc2ccccc2)cc1 29545188 RCSJCWCACVFPSI-UHFFFAOYSA-N 271.316 2.824 0 1 CFAF CN1C(=O)c2ccccc2N(C)[C@@H]1c1ccc2c(c1)OCO2 843011 LVPALJVOMJSLQI-INIZCTEOSA-N 296.326 2.636 0 3 CFAF CC[C@@H](O)CCCC[C@@H]1OC(=O)Cc2cc(O)cc(O)c21 2356425472 FGSIJRAQWLXFRU-RISCZKNCSA-N 294.347 2.570 0 1 CFAF Cc1ccsc1CCN[C@H](C)C(=O)NC1CCCC1 65376466 WSYYAUYDWLFYPD-GFCCVEGCSA-N 280.437 2.636 0 1 CFAF CN(C)Cc1c(C(C)(C)O)[nH]c2cc(F)ccc12 61969049 BDOCQGFNMRFTBC-UHFFFAOYSA-N 250.317 2.596 0 3 CFAF Oc1ccc(-c2nnc(-c3cccc(O)c3)o2)cc1 49050763 NOXMLKDKEYSUKR-UHFFFAOYSA-N 254.245 2.815 0 1 CFAF COc1ccc2c(c1)CCCN2c1nc(F)nc2[nH]cnc12 473105912 UADMYHWJBIFCNR-UHFFFAOYSA-N 299.309 2.585 0 1 CFAF Oc1ncnc2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc12 586886889 DOASDZCKPHAYRO-WSHGPQCASA-N 270.336 2.526 0 1 CFAF CS(=O)(=O)/C=C/c1nc2cc(Cl)c(F)c(F)c2[nH]1 586927632 UVFVHGODFZDCLT-NSCUHMNNSA-N 292.694 2.510 0 1 CFAF Nc1ccccc1-c1[nH]c2cccc(F)c2c1[C@H](N)C(=O)O 587635524 JLCBIHQQRMNESQ-AWEZNQCLSA-N 299.305 2.641 0 1 CFAF Clc1ccc(C2=C[C@H](c3nc4cnncc4[nH]3)ON2)cc1 587076755 OSZJAIOISZCGJF-CYBMUJFWSA-N 299.721 2.623 0 1 CFAF Cc1[nH]c2cccc(F)c2c1C(=O)Nc1ncccn1 587635255 IUEJBWZTCQIOTH-UHFFFAOYSA-N 270.267 2.658 0 1 CFAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cccnc2[nH]1 587051952 HBFZLQJDHLNKTF-SNVBAGLBSA-N 288.738 2.559 0 1 CFAF Cc1ccc(C)c2[nH]c(C[S@@](=O)CC3CC3)nc12 586958438 GFLAZAPGEGXSHC-SFHVURJKSA-N 262.378 2.838 0 1 CFAF Cc1cnc(Cl)c2nc(/C=C/C=C\C(=O)O)[nH]c12 587969060 PVEBQJYZNHMARG-HZDAAVBUSA-N 263.684 2.574 0 1 CFAF C=Cc1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1 586879037 CYDWUYSJBSTEPR-UHFFFAOYSA-N 270.317 2.657 0 1 CFAF C=C1C=C(C(F)(F)F)n2nc(C(=O)O)c(Cl)c2N1 957615349 UAYKDDHHNWAIOH-UHFFFAOYSA-N 279.605 2.577 0 1 CFAF Nc1ccc2c3c1[C@]1(CCC[C@@H]4[C@@H]1C4(F)F)N(CC3)C2 962956625 LGEOMLQRJQEQOY-UGFHNGPFSA-N 276.330 2.901 0 1 CFAF O=c1cc(-c2cc(O)ccc2O)oc2ccccc12 13322123 QOULGRDJCDSRNP-UHFFFAOYSA-N 254.241 2.871 0 1 CFAF Clc1cc(Cl)c2c(c1)C[C@@]1(CC2)CN=CN1 13743722 JVXCQBZATLABHQ-LBPRGKRZSA-N 255.148 2.852 0 1 CFAF COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1O2 13764419 UNNABHWRKRTYKT-DGAVXFQQSA-N 264.296 2.650 0 1 CFAF COc1cccc([C@@H](O)COC(=O)/C=C/c2ccccc2)c1 1857631729 MCTMAOUGSBVEEH-DVQDXYAYSA-N 298.338 2.985 0 1 CFAF CN1CC[C@@H]2[C@@H](NC(=O)c3ccccc3)CCC[C@H]2C1 1841696 IVYNIYYTFLHWEX-JYJNAYRXSA-N 272.392 2.537 0 1 CFAF Cc1ccc(C[C@@]2(O)C[C@H](C)N(C)C[C@@H]2C)c(C)c1 4338350 WXJABLBQAGQBGM-ZOBUZTSGSA-N 261.409 2.937 0 1 CFAF C[C@@H]1CN2C(=O)c3ccccc3[C@]2(c2ccccc2)O1 6488526 MRZJCUSMOAGLGY-PXAZEXFGSA-N 265.312 2.762 0 1 CFAF CC(C)CN1Cc2cccc3nc(O)n(c23)C[C@H]1C 6488725 BBQFLZBMPBVODN-LLVKDONJSA-N 259.353 2.602 0 1 CFAF CC(=O)C[C@H]1c2ccccc2N=C(n2cncn2)N1C(C)C 103178087 XMAKRNQHQYYURX-HNNXBMFYSA-N 297.362 2.558 0 1 CFAF OCc1cc(-c2ccccc2)nn1C[C@@H](O)c1ccccc1 66258486 CGNCDZPKFPZQPT-GOSISDBHSA-N 294.354 2.776 0 1 CFAF COc1ccc2c(c1)C[C@@H](C)O[C@@]21C(=O)Nc2ccccc21 66148416 JAZPVBXOMXUZHQ-ZMZPIMSZSA-N 295.338 2.852 0 1 CFAF O=C(O)Cc1ccc2c(c1)Oc1ccccc1OC2 29220299 AQKOLNYRDWEPHW-UHFFFAOYSA-N 256.257 2.998 0 1 CFAF COC(=O)[C@H](C)[C@@H]1C[C@H](C(C)(C)C)OC(C)(C)O1 2356698524 ZWYLABZMMQLCDW-OUAUKWLOSA-N 258.358 2.752 0 1 CFAF Cc1cc2n[nH]c(=O)n2c2cc(-c3ccncc3)ccc12 38527076 PKZCGWBROCHAKF-UHFFFAOYSA-N 276.299 2.546 0 1 CFAF in-vitro O=C(O)Cc1ccc(-c2ccc3c(c2)COC3=O)s1 73220971 DFPMBEHAYUNPEM-UHFFFAOYSA-N 274.297 2.713 0 1 CFAF Cc1cc(C)c2c(n1)N[C@@H](c1cc(C)c(O)c(C)c1)NC2=O 40395329 DLGXESOYMBODTB-OAHLLOKOSA-N 297.358 2.875 0 1 CFAF CC(=O)O[C@H](/C=C\c1ccccc1)C[C@@H]1CC=CC(=O)O1 195774941 TYMKVQRXYUDCIH-JVSIQZEQSA-N 286.327 2.893 0 1 CFAF O=C1O[C@]2(Oc3ccc(Cl)cc3C2=O)c2ccccc21 95592990 JZAMXNVPLWBMMM-OAHLLOKOSA-N 286.670 2.939 0 1 CFAF Cc1cc(C)c(OCCN[C@H]2CC[C@H](O)CC2)c(C)c1 653738960 CGXSSQPHZJELTP-WKILWMFISA-N 277.408 2.884 0 1 CFAF Cc1ccccc1C(C)(C)c1nc2cncnc2[nH]1 587955352 NRHDTZSPNRNVDP-UHFFFAOYSA-N 252.321 2.987 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H]1CCCOC1)O2 587407155 AKKLNHIRYFORSM-BZNIZROVSA-N 275.348 2.728 0 1 CFAF OCC12CCC(c3nc4ccc(O)cc4[nH]3)(CC1)CC2 586895598 OWQYQVJLRKOSSJ-UHFFFAOYSA-N 272.348 2.853 0 1 CFAF COC(=O)c1ccc2nc(C3=CCCC3)[nH]c2c1OC 586885864 XFIQCSKWRZQPFI-UHFFFAOYSA-N 272.304 2.925 0 1 CFAF O=C(c1ccccc1)[C@H](Cc1ccccc1)OC[C@@H]1CO1 84403384 BBJQHTPVRVZKSU-IRXDYDNUSA-N 282.339 2.896 0 1 CFAF CCOC(=O)[C@@H](C)[C@H]1NCCc2cc(C)c(F)cc21 962143021 HQOGFLUAFLCIPV-IINYFYTJSA-N 265.328 2.520 0 1 CFAF CC(C)c1nn(C)c2c1[C@]1(C[C@H]3[C@@H](C1)C3(C)C)NCC2 962915331 HLYXERBJRXXCDH-PBKGOJFUSA-N 273.424 2.951 0 1 CFAF Cc1ccc(Cl)c(NC(=O)[C@@](C)(O)C(F)(F)F)c1 13808700 WTOCWDCTZLTROO-SNVBAGLBSA-N 281.661 2.900 0 1 CFAF C[C@]12CC[C@H](C[C@@H]1NC(=S)Nc1ccc(N)nc1)C2 13600684 CVLUHCVEZYRNGE-OLUVUFQESA-N 276.409 2.529 0 1 CFAF O=C(O)C[C@H]1CC(=O)c2c(O)ccc(Cl)c2S1 13736549 WOOABARSQBAJGM-RXMQYKEDSA-N 272.709 2.567 0 1 CFAF C[C@H]1Cc2nc(S)nc(O)c2[C@H](c2ccc(F)cc2)O1 169303245 VRLWNVRYZPMCNG-MADCSZMMSA-N 292.335 2.661 0 3 CFAF COC(=O)CC=C1c2ccc3c(c2[C@H](OC)[C@H]1C)OCO3 1857623241 ZQDNTSRZBRBSHA-BJOHPYRUSA-N 290.315 2.699 0 1 CFAF COc1ccccc1[C@]12CO[C@@H](C)C[C@H]1CSC(=N)N2 1857639990 SPCKMVYZWVCNSY-PGUXBMHVSA-N 292.404 2.587 0 1 CFAF N#CN[C@H]1CCc2ccc(-c3nc[nH]c4nccc3-4)cc21 1857648431 RBDSMNWWGHWDMP-AWEZNQCLSA-N 275.315 2.634 0 1 CFAF CC(C)C(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1 13745607 DTEFJSMKRSVRKG-UHFFFAOYSA-N 274.364 2.833 0 1 CFAF CN1CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1 3785938 ZDTHTOXIONRWHM-UHFFFAOYSA-N 294.354 2.530 0 1 CFAF O=C(CSc1nc(C2CCCC2)n[nH]1)NC1CCCC1 4409163 MPSMKGMKXNBOLW-UHFFFAOYSA-N 294.424 2.613 0 3 CFAF Nc1cc(Cl)nc(SCc2ccc3c(c2)OCO3)n1 6567386 BETDGJUYCZKGGB-UHFFFAOYSA-N 295.751 2.733 0 1 CFAF COc1ccc2c3ncn(Cc4ccco4)c(O)c-3nc2c1 102669543 CVQMWBRFTSAKIL-UHFFFAOYSA-N 295.298 2.892 0 1 CFAF C[C@H]1CC(C)(C)C[C@@](O)(c2nnc(-c3ccncc3)[nH]2)C1 103176411 DOHPLGDLSMWGJL-MEDUHNTESA-N 286.379 2.901 0 1 CFAF Cc1ccc2[nH]c([S@@](=O)Cc3ccccc3N)nc2c1 28230649 ZFVNYFXLUWZUSX-HXUWFJFHSA-N 285.372 2.761 0 1 CFAF CCOC(=O)[C@@]12C[C@@]1(CC)c1cc(Cl)ccc1NC2=O 101056018 WZWRLQVVSBRWAX-GJZGRUSLSA-N 293.750 2.893 0 1 CFAF CC1=C[C@H](Cc2ccccc2)[C@H](C(C)(C)O)C[C@H]1O 2356372992 PWGBVOTVOLKUPY-BZUAXINKSA-N 260.377 2.943 0 1 CFAF C[C@H](C(=O)O)c1ccc(C[C@@H]2CCC[C@@H]2O)cc1F 64447904 SNSNKHOGRIQHBJ-CHIMOYNISA-N 266.312 2.717 0 1 CFAF CC(C)n1ccc(=O)n2nc(-c3ccccc3)cc12 29461853 XDNMOSKCKIRVOO-UHFFFAOYSA-N 253.305 2.744 0 1 CFAF CCC(=O)c1cn(-c2cc(C)c3[nH]c(=O)ccc3c2)c(C)n1 29338560 QKJNKNSRJAHKCS-UHFFFAOYSA-N 295.342 2.923 0 1 CFAF CO[C@@H](Cc1ccccc1)C(=O)c1ccc(O)cc1O 2356736054 SIYLPNUUUAYXMM-HNNXBMFYSA-N 272.300 2.538 0 1 CFAF COc1cccc(Cn2c(=O)oc3ccc(OC)cc32)c1 64539763 JYLQBTRPLQHVPA-UHFFFAOYSA-N 285.299 2.660 0 1 CFAF Cc1cc(CC[C@@H]2CC[C@H](CCN)O2)ccc1F 38264413 TUZLHPUVXHTPCQ-ZIAGYGMSSA-N 251.345 2.963 0 1 CFAF Fc1cccc(O[C@H](c2ccccc2)[C@@H]2CNCCO2)c1 40950317 XVDZZRJNPDNTBI-DLBZAZTESA-N 287.334 2.934 0 1 CFAF CCc1nc(N)nc(N)c1-c1ccc(C(C)C)cc1 45187188 RJQPQBNJVHZABT-UHFFFAOYSA-N 256.353 2.994 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccns1)O2 587412906 FAHZQWVEKFMISP-CQSZACIVSA-N 274.345 2.914 0 1 CFAF Cc1nc(C)c(Cc2nc3c(C)nccc3[nH]2)s1 587011437 GFEVPPZTYUOAKA-UHFFFAOYSA-N 258.350 2.930 0 1 CFAF Cc1cc2nc([C@H](O)C(C)(C)CO)[nH]c2cc1Cl 586900280 CGAQMHUKXKGEHM-NSHDSACASA-N 268.744 2.577 0 1 CFAF C[C@@H](Oc1ccc(F)cc1)c1nc2cnncc2[nH]1 587169558 ZIKBYURHDLELDK-MRVPVSSYSA-N 258.256 2.632 0 1 CFAF Nc1ncccc1Cc1nc2cccc(Cl)c2[nH]1 587254143 HAMRDBKHKXTMGB-UHFFFAOYSA-N 258.712 2.784 0 1 CFAF Cc1ccnc2[nH]c(-c3cc(F)c(N)c(F)c3)nc12 587134151 ADFJCPIZPJIYOB-UHFFFAOYSA-N 260.247 2.794 0 1 CFAF CCn1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 587392886 WQAXAWNWRZNZBD-OAHLLOKOSA-N 285.347 2.809 0 1 CFAF COc1cnccc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587394861 KSFACQJCGZMVPD-KRWDZBQOSA-N 298.342 2.861 0 1 CFAF O=C(O)[C@@H]1CCc2c(nc3cccc4c3c2CC4)C1 587215766 UWAQLFCWPCGSRM-SNVBAGLBSA-N 253.301 2.523 0 1 CFAF Cc1ccnc2c1CCN[C@]2(C)CCC(C)(C)C(=O)O 963068139 JXXCJBXKMYGBGC-MRXNPFEDSA-N 276.380 2.642 0 1 CFAF CC[C@@H]1CCC(=O)[C@]12NCCc1ccc(F)c(C)c12 962296196 FLABUZXZSATAPF-MLGOLLRUSA-N 261.340 2.864 0 1 CFAF O[C@H](C[C@H]1c2ccccc2-c2cncn21)c1cccnc1 203789686 JNVJGLYGJXLWMV-DOTOQJQBSA-N 277.327 2.972 0 1 CFAF COc1ccc(C2=CN=C(C(F)(F)F)C[C@@H]2N)cc1 1857612104 FHZGLVRMBHCLHO-NSHDSACASA-N 270.254 2.770 0 1 CFAF O=C(O)c1cc(/C=C/c2ccc(O)cc2)cc(C(=O)O)c1 1772617745 JGLLYRCYUVHFIK-OWOJBTEDSA-N 284.267 2.959 0 1 CFAF O=Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccccc1)O2 1772635415 QPSNNRDTFGWIGI-ZDUSSCGKSA-N 284.267 2.617 0 1 CFAF O=c1[nH]nc(-c2ccccc2)n1-c1cc(Cl)ccc1O 13558788 WKLQEOFKEMRHKV-UHFFFAOYSA-N 287.706 2.587 0 1 CFAF O=C(Cc1ccsc1)OCCN1CCCCCC1 13864152 XLIZMNHLEUMLRH-UHFFFAOYSA-N 267.394 2.710 0 1 CFAF O=C(O)c1ccccc1-c1cc2cc(O)ccc2oc1=O 169309737 YGGRRLOEFXMJHD-UHFFFAOYSA-N 282.251 2.864 0 1 CFAF O=C(c1ccc(-c2ccc(F)cc2F)o1)n1cncn1 200031102 WVXDFOMEBDMOSL-UHFFFAOYSA-N 275.214 2.505 0 1 CFAF C[C@H]1CN(C)C[C@H]2Cc3c(ccc4ccccc34)O[C@]12O 4626668 RQYOELZDSAMKIU-WPKBUWHJSA-N 283.371 2.661 0 1 CFAF in-man O=C(O)Cn1ccc(-c2cccc3ccccc23)n1 103176996 UWFJMQQNCOLKNN-UHFFFAOYSA-N 252.273 2.788 0 1 CFAF COc1ccc(-c2nc3cc[nH]cc-3n2)c(OC)c1 101204926 MITJCPOOGYAMDG-UHFFFAOYSA-N 255.277 2.594 0 1 CFAF Cc1cc2n[nH]c(=O)n2c2cc(-c3nccs3)ccc12 58576603 XPNQFWCDWOFYIN-UHFFFAOYSA-N 282.328 2.608 0 1 CFAF O[C@](c1ccccc1)(c1cncnc1)c1cccs1 28768424 PLFWOOFJYROEPE-OAHLLOKOSA-N 268.341 2.822 0 1 CFAF COc1ccc(-c2cn([C@@H]3CCCCC3=O)nn2)cc1 66258417 OVRCYOWTFUHSRO-CQSZACIVSA-N 271.320 2.638 0 1 CFAF CC(C)OC[C@]1(C(=O)c2ccc(N)c(Cl)c2)CCCN1 58583805 HFJPQKBQGCFBQI-HNNXBMFYSA-N 296.798 2.652 0 1 CFAF O=C1CSc2cccc(Cl)c2N1C[C@@H]1CCCO1 103214807 LETVWVWBSXBSDG-VIFPVBQESA-N 283.780 2.958 0 1 CFAF COC(=O)/C=C/[C@H]1[C@@H](c2ccccc2)C[C@H]2CC[C@@H]1N2C 27332310 OMLSVYSQLRWXNO-WMRMKGQWSA-N 285.387 2.982 0 1 CFAF CCOc1ccccc1-c1nc2c(ncn2C2CC2)c(=O)[nH]1 28338552 JLVYUNCWJCTICJ-UHFFFAOYSA-N 296.330 2.520 0 1 CFAF CCOC(=O)[C@]1(C)CCCCN1C(=O)c1cccs1 61908439 GOGOKSVNYLIGOY-AWEZNQCLSA-N 281.377 2.696 0 3 CFAF COc1cc(/C=C/[C@@H]2CC=CC(=O)O2)cc(OC)c1 84708967 OBGZAQLQUFJCKG-SYTKJHMZSA-N 260.289 2.589 0 1 CFAF O[C@]12CC[C@]3(O)c4ccccc4[C@H]3[C@@H]1c1ccccc12 254076178 IBFYXVGIKWIZIM-XSLAGTTESA-N 264.324 2.750 0 1 CFAF COCO[C@H]1C=CCCCCC(=O)[C@@H](C)C#CC1 299815263 MZBINVXLODRUGH-KBPBESRZSA-N 250.338 2.704 0 1 CFAF NC(=O)[C@H]1CCCc2c(-c3ccc(Cl)c(F)c3)n[nH]c21 299860836 HGQZMWBIINZNDS-VIFPVBQESA-N 293.729 2.774 0 1 CFAF CC(=O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604590 XEJLHQVVXHUNIN-RHSMWYFYSA-N 298.294 2.702 0 1 CFAF COc1cc(C)ccc1-c1nc2ccnc(OC)c2[nH]1 587924679 AILAFIMFAGCBSP-UHFFFAOYSA-N 269.304 2.951 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1nc(C)c(C)[nH]1)[C@@H](C2)C3=O 587437149 DPXGDIOAQXWXLN-NHYWBVRUSA-N 284.315 2.524 0 1 CFAF C[C@@H](SC(=S)N(C)Cc1cccs1)C(=O)O 5071301 CREXPIAIZFTJSP-SSDOTTSWSA-N 275.420 2.671 0 3 CFAF Clc1cc(Nc2ccc([C@@H]3CNCCO3)cc2)ncn1 150027660 CFKXGLIQCYTCIX-LBPRGKRZSA-N 290.754 2.535 0 1 CFAF CC(C)C[C@H](C(N)=O)C1=NC(C)(C)Cc2ccccc21 49450 SIQDYWFHJMGTJM-AWEZNQCLSA-N 272.392 2.958 0 1 CFAF COc1ccc(CNc2cnc3ccc(N)cc3n2)cc1 1633404 HGNIQGQDVVWNGE-UHFFFAOYSA-N 280.331 2.833 0 1 CFAF C[C@@]1(CO)[C@@H]2CCC[C@]3(C)CCC[C@](C)([C@@H]23)N1C=O 2356794735 ICOSESAQWODCNK-YIDVYQOGSA-N 265.397 2.575 0 1 CFAF CO[C@@](C)(CCCC(C)(C)O)c1ccc(C(=O)O)cc1O 2356850647 PSANMIMATJUJAM-INIZCTEOSA-N 296.363 2.893 0 1 CFAF COc1ccc2nc(Cc3ccc(OC)c(OC)c3)[nH]c2n1 316686152 ZQIYLRHVPJGSNU-UHFFFAOYSA-N 299.330 2.575 0 1 CFAF COCCCNC(=O)c1cn(C(C)(C)C)c2ncccc12 72323123 CNLWLJMKFGNHLX-UHFFFAOYSA-N 289.379 2.558 0 1 CFAF C[C@H](N)C(=O)Nc1ccccc1-c1nc2ccccc2o1 71316800 LZJQEQARCNVNDT-JTQLQIEISA-N 281.315 2.781 0 1 CFAF CC[C@H](C)Nc1nc(N2CCSCC2)ncc1C 82201729 QKCDZEWDBJSBGT-NSHDSACASA-N 266.414 2.549 0 1 CFAF CC[C@@H](C[C@H]1COC(N)=N1)c1ccc(F)c(F)c1 149325504 XRGFQKKCQUKQPE-WPRPVWTQSA-N 254.280 2.562 0 1 CFAF CC(=O)N1N=C(c2ccc(C)nc2)O[C@H]1c1cccs1 96935253 FEOCOLQFOFZWFB-AWEZNQCLSA-N 287.344 2.691 0 1 CFAF N=c1cc[nH]cc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 587248796 FBYKDKAWZBUFJM-UHFFFAOYSA-N 294.236 2.936 0 1 CFAF Nc1cc(-c2nc3c(N)ccnc3[nH]2)c2ccccc2c1 587251826 NGKHEGGSBFTLRT-UHFFFAOYSA-N 275.315 2.943 0 1 CFAF CC[C@@]1(c2cnccn2)CC(=O)c2cc(C)cc(N)c2O1 587393488 HRTKRZFHVRFQPF-INIZCTEOSA-N 283.331 2.638 0 1 CFAF Oc1cccc2nc(COc3ccc(F)cc3)[nH]c12 587169513 YDSFJJVWYZVJJB-UHFFFAOYSA-N 258.252 2.987 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccnc(C)n1)O2 587393796 MSMDLSGHZKFKKK-INIZCTEOSA-N 283.331 2.556 0 1 CFAF Cc1cccc2nc(CSC(C)(C)C(=O)O)[nH]c12 586958367 BUCDCMWBLUHEQU-UHFFFAOYSA-N 264.350 2.968 0 1 CFAF Nc1cc(-c2nc3cnncc3[nH]2)c2ccccc2c1 587251731 MDZMQDBLROCWSP-UHFFFAOYSA-N 261.288 2.755 0 1 CFAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1O)CC2=O 587484348 SZSKBLFFTFCANO-GOEBONIOSA-N 276.332 2.594 0 1 CFAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)N(C)C 587630009 CZSYRQSQQMGCDK-UHFFFAOYSA-N 254.692 2.971 0 1 CFAF c1csc(-c2ccccc2OCC2=NCCN2)c1 13437825 NDNJRVYHFSNFBJ-UHFFFAOYSA-N 258.346 2.796 0 1 CFAF O=C(O)Cn1ccc(C(=O)c2ccc3occc3c2)c1 13493084 MOPGZJFAPUOHSG-UHFFFAOYSA-N 269.256 2.550 0 1 CFAF COC(=O)[C@@H]1C[C@H]2CC[C@H]([C@H]1Cc1ccccc1)N2C 169335601 GSJWAIREYVJCBA-QKPAOTATSA-N 273.376 2.501 0 1 CFAF CNC(=S)N1N=C2CCCC[C@H]2[C@@H]1c1ccco1 169722515 FBNZNYMVFHXNOR-BXKDBHETSA-N 263.366 2.687 0 1 CFAF CCO[C@@H]1CN(C)CCc2cc(Cl)c(O)cc21 3783397 UWJZELKDZCMKAN-CYBMUJFWSA-N 255.745 2.611 0 1 CFAF CC(=O)c1[nH]c(C)c(C(=O)NCc2cccs2)c1C 6818855 VSMFFMSGGUCARI-UHFFFAOYSA-N 276.361 2.826 0 1 CFAF CCCN1CCN(c2cnnc3c(Cl)cccc23)CC1 6998309 KZXFOAATEHIADN-UHFFFAOYSA-N 290.798 2.815 0 1 CFAF C/C=C1\[C@@H]2C=C(C(F)(F)F)C[C@@]1(N)c1ccc(O)nc1C2 29561444 WPUFLGDKDRHMHB-BUZQQDGOSA-N 296.292 2.952 0 1 CFAF CCCN1CCC[C@](C(=O)OCC)(c2ccc(O)cc2)C1 26287400 BNITZKDLXKFAGW-QGZVFWFLSA-N 291.391 2.699 0 1 CFAF CC[C@@H](c1cc(=O)[nH]c(N(C)C)n1)c1c(F)cccc1F 28866658 BGKLIWYEOPOXND-VIFPVBQESA-N 293.317 2.656 0 1 CFAF COC1=C[C@H]2Oc3cc(OC)cc(C)c3C(=O)[C@@H]2C(O)=C1 2356589844 VPEWYQPRZOSYDH-UKRRQHHQSA-N 288.299 2.549 0 1 CFAF Cc1cc(O)cc(OC(=O)c2c(C)cc(O)cc2O)c1 32303142 LRMGCIMCOOHPQA-UHFFFAOYSA-N 274.272 2.639 0 1 CFAF biogenic Cc1c(Cl)cccc1-n1c(=O)[nH]c2cccnc21 139092794 ZFNVCRQQBCOFCS-UHFFFAOYSA-N 259.696 2.676 0 1 CFAF CC1=C2CC[C@](C)(O)[C@@H]2CC2=C(C)C(=O)O[C@@]2(C)C1 238788260 XFKBZIHXTPWMQJ-KBMXLJTQSA-N 262.349 2.890 0 1 CFAF C/C(=C\CC[C@H](C)CO)c1ccc(CO)cc1O 96907938 VTYGGZUALSUBPO-FIJZOYEMSA-N 250.338 2.696 0 1 CFAF C[C@@H]1CCn2nc(COc3ccccc3)cc2[C@]1(C)O 299836858 IDISEGHPOUWHMF-MLGOLLRUSA-N 272.348 2.709 0 1 CFAF Cc1ccc2c(ccc3nc(C[C@H](C)N(C)C)[nH]c32)n1 587189752 DQKQJEFULYRDRY-NSHDSACASA-N 268.364 2.912 0 1 CFAF COc1cc2c3c(c1)O[C@]1(CCCn4cccc41)[C@@H](C2)C3=O 587436227 OKZJEEJOZCNIFU-SCLBCKFNSA-N 295.338 2.933 0 1 CFAF COc1cc2c3c(c1)O[C@@H]([C@@H]1OCCC1(C)C)[C@@H](C2)C3=O 587452597 FOHAANILTQTMPB-XZJROXQQSA-N 288.343 2.626 0 1 CFAF CN[C@@H](c1cccnc1)c1nc2ccc(F)c(F)c2[nH]1 587225502 XFTQKBSBXHRBEF-LBPRGKRZSA-N 274.274 2.545 0 1 CFAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3 587963949 WSBKPDOEGSPRCX-NXEZZACHSA-N 297.358 2.605 0 1 CFAF CN[C@H](c1cccnc1)c1nc2ccc(C)c(C)c2[nH]1 587225936 ZKCLTMMHNPHWFS-OAHLLOKOSA-N 266.348 2.884 0 1 CFAF COc1cc2nc(CCc3ccc(C)c(N)c3)[nH]c2cn1 587250976 VMBFNVXZSJKPQA-UHFFFAOYSA-N 282.347 2.642 0 1 CFAF Nc1ccc(/C=C/c2nc3c(Cl)ncnc3[nH]2)cc1 587251752 MRXXARIJKFNKPX-ZZXKWVIFSA-N 271.711 2.759 0 1 CFAF FC(F)(F)COc1cc(-c2nc3cnccc3[nH]2)ccn1 587092554 WAQSRXOCVAQFSZ-UHFFFAOYSA-N 294.236 2.961 0 1 CFAF C[C@H]1CC(=O)Nc2cc(Cl)ccc2N1C(=O)C1CC1 5854129 SUGROISCIHVAMI-QMMMGPOBSA-N 278.739 2.814 0 1 CFAF C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 13153777 SZNBRPRZLSIWNS-NLUHUFIZSA-N 293.366 2.801 0 1 CFAF CC1(C)O[C@](C)(c2nc3ccccc3[nH]2)CC[C@@H]1CO 13215379 IRCXCKNENYJVPV-BZNIZROVSA-N 274.364 2.976 0 1 CFAF C[C@@H](NC(=O)Nc1cc2[nH]ncc2cn1)c1ccc(F)cc1 205440369 KYNVDRXXOUGHME-SECBINFHSA-N 299.309 2.980 0 1 CFAF c1coc(CN=c2[nH]c3ccccc3n2C[C@@H]2CCCO2)c1 1857617800 PULPFDZUVGFUEF-AWEZNQCLSA-N 297.358 2.842 0 1 CFAF Oc1nc2ccccc2n1C[C@H](O)c1ccc(F)cc1 1857763701 LEEBKMFOTKBLQW-AWEZNQCLSA-N 272.279 2.615 0 1 CFAF Cc1c(C)c2ccc(OC3CCN(C)CC3)cc2oc1=O 1226477320 AXSXATQECYCTMF-UHFFFAOYSA-N 287.359 2.883 0 1 CFAF Cc1cc(-c2nnc(SCc3ccccn3)o2)no1 1337614 YNWCROKHYZNKJR-UHFFFAOYSA-N 274.305 2.720 0 3 CFAF O=C1O[C@](O)(c2ccccc2O)c2cccc3cccc1c23 6567972 UDHWWTKHXCNBTN-GOSISDBHSA-N 292.290 2.909 0 1 CFAF Cc1cc(Nc2ccc(OC(F)F)cc2)n2ncnc2n1 25317252 VPBMXCQRVKYXSF-UHFFFAOYSA-N 291.261 2.778 0 1 CFAF Cc1cnn([C@@H](C)C2CC2)c1NC(=O)c1ncccc1O 55271719 SZTNKHGVGHHJQA-JTQLQIEISA-N 286.335 2.515 0 1 CFAF C[C@H]1C[C@@H]2Nc3ccc(Br)cc3N2C(=S)N1 103201886 SJXRXYFVFQHGQV-QUBYGPBYSA-N 298.209 2.674 0 1 CFAF O[C@@H](c1nnc(-c2ccccc2)[nH]1)[C@@H]1CC=CCC1 103176431 ZUFOXHZCDSGQOI-DGCLKSJQSA-N 255.321 2.861 0 1 CFAF CCCc1nnc(S)n2c(CCC)nc(C)c12 29462754 BKHTZOGUJUUHMF-UHFFFAOYSA-N 250.371 2.626 0 1 CFAF CCn1ncc2[nH]c(-c3ccc(OC)c(COC)c3)nc21 20362821 RWSLOYPJTNIPBW-UHFFFAOYSA-N 286.335 2.601 0 1 CFAF C[C@H](CO)[C@H]1OC(C)(C)OC[C@]1(C)OCc1ccccc1 2356654052 VPUMLCSEKGWYIX-UNEWFSDZSA-N 294.391 2.742 0 1 CFAF OCC[C@@]12N[C@@H](Cc3ccccc31)[C@@H]1CCCC[C@@H]12 25994690 NDYRQXAREGWAOX-BSWAZPDLSA-N 257.377 2.599 0 1 CFAF NC(=O)c1ccccc1-c1noc(-c2ccccc2F)n1 36381011 NCRQZQGYJKRNBC-UHFFFAOYSA-N 283.262 2.642 0 3 CFAF CNC(=O)c1ccc(-c2cn(C)nc2-c2ccncc2)cc1 71340289 XUMHNHGOUOTAFH-UHFFFAOYSA-N 292.342 2.509 0 1 CFAF CCOC(=O)[C@H]1CCc2nc3ccc4nccn4c3cc2C1 40859814 URSZMCHZMRRTMM-NSHDSACASA-N 295.342 2.551 0 1 CFAF O=C(Nc1cc(-c2ccccc2)c(=O)[nH]n1)c1ccccc1 95604149 LBOBMZIDBNBJSJ-UHFFFAOYSA-N 291.310 2.689 0 1 CFAF COc1cccc(C(=O)Nc2ccncc2)c1Cl 96282852 APPLHBUWQDBEOB-UHFFFAOYSA-N 262.696 2.996 0 1 CFAF Nc1ccc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)cc1 261125695 KEUJFPCKMLEDQK-BRWVUGGUSA-N 265.360 2.939 0 1 CFAF in-vitro CO[C@@H]1[C@@H](C)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1(C)C 587403649 PHHIFBORKYVHMB-IGGJQXEISA-N 289.375 2.972 0 1 CFAF CCCCOC(=O)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587398869 GAQAWLNEHPVNTM-INIZCTEOSA-N 291.347 2.644 0 1 CFAF O=C(O)Cc1ccc(Cc2nc3ccc(F)cc3[nH]2)cc1 587962768 YBONJTNGUVDCQV-UHFFFAOYSA-N 284.290 2.920 0 1 CFAF COc1cc2nc(-c3c[nH]ccc3=N)[nH]c2cc1Cl 587250258 ZELRLWPZEFYWCN-UHFFFAOYSA-N 274.711 2.699 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncc3ccccn13)O2 587393319 FZOFTQSLZXXTPD-OAHLLOKOSA-N 293.326 2.931 0 1 CFAF Fc1cnc2[nH]c(Cc3c(F)cncc3Cl)nc2c1 587175383 CNEUBOKPIQSPEW-UHFFFAOYSA-N 280.665 2.875 0 1 CFAF Cc1cncc2[nH]c(-c3n[nH]c4c(F)cccc34)nc12 587175874 CBHABVZRILLIDQ-UHFFFAOYSA-N 267.267 2.949 0 1 CFAF O=C1C[C@@H](C2(C(=O)O)CC2)Oc2c1ccc1c2CCCC1 587528627 CZWXPFHDUNACKU-AWEZNQCLSA-N 286.327 2.764 0 1 CFAF Cn1cc([C@@]2(C)NCCc3c(Cl)cc(Cl)cc32)nn1 963105408 IXZKFAFZQCUIBR-ZDUSSCGKSA-N 297.189 2.531 0 1 CFAF CCOC(=O)[C@H](C)[C@@]1(C)NCCc2cc(Cl)ccc21 963390900 OHOBGKKTJVEXLE-ZUZCIYMTSA-N 281.783 2.900 0 1 CFAF CCOC[C@H]1CCC[C@]12NCCc1c(C(=O)O)cccc12 963133920 UTVMLZMPTHMAMJ-PXAZEXFGSA-N 289.375 2.562 0 1 CFAF COc1ccc2oc(=O)c3ncn(CC(C)C)c3c2c1 1857607893 XMDMXWQPVBSNLR-UHFFFAOYSA-N 272.304 2.807 0 1 CFAF CN(C)C(=S)Sn1ccc2ccc(N)cc21 1857612916 LPALSOTZLAPNSY-UHFFFAOYSA-N 251.380 2.566 0 1 CFAF CC1=CC[C@@H]2[C@@H](O[C@H](c3ccc(F)cc3)C[C@]2(C)O)[C@@H]1O 1772626561 MUKPLLCMUIHJQJ-JJTUDDRGSA-N 292.350 2.734 0 1 CFAF CCOC(=O)c1nc2ccc(Cl)cc2c2c1CCO2 13215702 KLVNKYNYMFKWAC-UHFFFAOYSA-N 277.707 3.000 0 1 CFAF COc1cccc(CCc2cc(O)c3c(c2)OCO3)c1O 15113650 SHYDQWWTJFSDLA-UHFFFAOYSA-N 288.299 2.620 0 1 CFAF CN(C)[C@H](c1cccc(Cl)c1)C1COCOC1 169322964 ASAQUUOIWABVGL-CYBMUJFWSA-N 255.745 2.563 0 1 CFAF COc1ccc(C(=O)Cn2nnc3cc(C)c(C)cc32)cc1 1857608061 KFTAZKPKUPBFII-UHFFFAOYSA-N 295.342 2.940 0 1 CFAF O=C(/C=C/c1ccccc1)OC[C@@H](O)c1ccccc1 1857748652 JXJQIWFWVPZRCT-LPQFERQCSA-N 268.312 2.977 0 1 CFAF COc1ccc(-c2nc3c(C)cccc3c(=O)[nH]2)cc1 13782472 HTLUBFSSIMOABR-UHFFFAOYSA-N 266.300 2.907 0 1 CFAF in-vivo CC(=O)Nc1ncc(SCc2nc(C)c(C)o2)s1 23684 JYWSISJKMHOMBG-UHFFFAOYSA-N 283.378 2.999 0 1 CFAF CC(=O)O[C@@H]1CC(=O)[C@]2(C)CC=C(C(C)C)C[C@@H]2[C@@]1(C)O 2356330813 VFNVULFGDFVUDV-RKTXRCNFSA-N 294.391 2.641 0 1 CFAF CC(C)n1nc(-c2ccc(F)c(O)c2)c2c(N)ncnc21 8581909 CJMMCIXRPVLDBH-UHFFFAOYSA-N 287.298 2.501 0 1 CFAF COc1ccc(-c2cccn(Cc3[nH]cnc3C)c2=O)cc1 26984058 IMVSXSRCZSHKHW-UHFFFAOYSA-N 295.342 2.604 0 1 CFAF Oc1c2nc3ccccc3c-2ncn1Cc1ccncc1 101963896 ILXAMYGUUQBKHF-UHFFFAOYSA-N 276.299 2.685 0 1 CFAF COc1ccc2[nH]cc3c(=O)n(-c4ccccc4)nc-3c2c1 100575373 HHVZTOUXJQCBRA-UHFFFAOYSA-N 291.310 2.827 0 1 CFAF O=C1[C@@H]2CCCN2[C@H](c2ccccc2)N1c1nccs1 104194190 REWLCLBPTOHABV-STQMWFEESA-N 285.372 2.653 0 3 CFAF CCOC(=O)[C@]1(C)CCCN(C(=O)c2cc(C)oc2C)C1 61926204 ZRMMUNLWHNNTKC-MRXNPFEDSA-N 293.363 2.702 0 3 CFAF O=c1c2ccccc2c(Cc2ccccc2)c(O)n1O 66077593 VBPZOJFCBFUABY-UHFFFAOYSA-N 267.284 2.535 0 1 CFAF CC(=O)CC[C@@H]1[C@@H]2C[C@@H]3[C@H](C[C@]21C)OC(=O)[C@H]3C 2356483798 YEQKGSUBFXHBAX-WBSYEDSCSA-N 250.338 2.579 0 1 CFAF CC(=O)O[C@@H]1C=C(C)C[C@H](O)[C@@H](O)C(C)=CC[C@@H]1C(C)C 2356584531 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N=C(N)c1ccc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2c1 587092304 CKGALPFFFSPHIB-BQBZGAKWSA-N 268.242 2.513 0 1 CFAF N=C(N)c1ccc2nc(-c3cnc(Cl)s3)[nH]c2c1 587023868 VVAFOCDEPCIVMY-UHFFFAOYSA-N 277.740 2.624 0 1 CFAF O=c1ccc2cc(-c3nc4cc(CO)ccc4[nH]3)ccc2o1 586917667 HRYRPTVDONFAEU-UHFFFAOYSA-N 292.294 2.829 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cc(C4CC4)[nH]n1)[C@@H](C2)C3=O 587442841 YVVHMXDMWZWRBE-APPDUMDISA-N 296.326 2.784 0 1 CFAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3c[nH]c(=N)[nH]c-3n2)C1 587969631 ROTZFHVVOTZQOP-RKDXNWHRSA-N 259.357 2.647 0 1 CFAF CCn1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 587388849 BKCUPFBOZRAAQL-QGZVFWFLSA-N 299.374 2.983 0 1 CFAF CCOc1ccc(-c2nc3nc(O)nc(O)c3cc2C)cc1 587559559 KOGIRBMLPQCAOR-UHFFFAOYSA-N 297.314 2.810 0 1 CFAF O=C(O)c1cc(-c2cc3c4c(cccc4n2)CC3)on1 587212254 RJRCHGOFYAYGSD-UHFFFAOYSA-N 266.256 2.687 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cnc(C)nc1C)[C@@H](C2)C3=O 587435041 AWAQQGGAZXPZEW-YVEFUNNKSA-N 296.326 2.591 0 1 CFAF Cc1ccnc2c1CCN[C@@]21CCCC[C@@H]1c1cncnc1 963073573 VOSKDORYUWVKRA-SJLPKXTDSA-N 294.402 2.879 0 1 CFAF CC12CCN(CC1)Cc1c([nH]c3ccccc13)C2=O 1857602104 VEEBOZJIPHWJSR-UHFFFAOYSA-N 254.333 2.966 0 1 CFAF CCCC[C@H]1C[C@](CC)(c2ccncc2)C(=O)NC1=O 13727752 AEZNVKGHVAKQJM-BLLLJJGKSA-N 274.364 2.582 0 1 CFAF COc1cccc2c3c(c(=O)[nH]c12)C=CC(C)(C)O3 15216872 YBYSRJYNHOVUKM-UHFFFAOYSA-N 257.289 2.721 0 1 CFAF O=C(Cn1c(O)csc1=S)c1ccccc1 169685198 DCEHYNPHWVFTDS-UHFFFAOYSA-N 251.332 2.868 0 1 CFAF CC[C@@H](N)[C@H]1C[C@]1(C(=O)N(CC)CC)c1ccccc1 13760487 LFIMCYFWWBLEGS-INMHGKMJSA-N 274.408 2.550 0 1 CFAF C[C@@H]1Cn2c(O)nc3cccc(c32)CN1Cc1ccco1 6488737 RQVOKTDBDMNGCN-LLVKDONJSA-N 283.331 2.739 0 1 CFAF Cc1oc2ncnc(N3C[C@@H](C)C[C@H](C)C3)c2c1C(=O)O 6738773 VWAAYONQHXWAHN-IUCAKERBSA-N 289.335 2.712 0 1 CFAF CCOC(=O)[C@@]1(C)CCCN(C(=O)c2cccs2)C1 61906040 MIHMRDHZZHDUIP-AWEZNQCLSA-N 281.377 2.554 0 3 CFAF COc1cc2c(cc1Br)[C@H](C)CNCC2 28132887 HQQAIJWQKAFMGF-MRVPVSSYSA-N 270.170 2.707 0 1 CFAF Cc1c(F)cccc1C(=O)N(CC(C)C)[C@H]1CCNC1 34472917 NFOLOYSQMPQIMO-ZDUSSCGKSA-N 278.371 2.594 0 1 CFAF in-vitro CC1=C(C(=O)O)[C@H](O)[C@]2(C)CC[C@H]3[C@H](C)CC[C@]132 238756463 AJWPBKUPPHKPLG-DDRGDPGHSA-N 250.338 2.595 0 1 CFAF O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1c1ccccc1F 141679804 KXJNSCPKVVKJJK-JYILRKAJSA-N 271.291 2.527 0 1 CFAF COC1=C(O)C2=Cc3ccccc3C(=O)[C@@H]2C(O)=C1OC 238742404 AGBIQQPHDLKSNN-LLVKDONJSA-N 286.283 2.728 0 1 CFAF N[C@@H]1C[C@@H]1c1ccccc1NC(=O)c1ccccc1 299853130 GCUCZFAQCSDCOP-ZIAGYGMSSA-N 252.317 2.754 0 1 CFAF Clc1cnc(Cl)c2[nH]c([C@@H]3CCOC3)nc12 586912382 RFHDSTLMELHFGR-RXMQYKEDSA-N 258.108 2.769 0 1 CFAF COc1cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2cn1 587969290 KWQKIEUHDJWAAE-UVAGUKSRSA-N 297.358 2.613 0 1 CFAF COc1cccc2nc(-c3c(N)cccc3C(=O)O)[nH]c12 587250311 MJBHBFNMJKNYCM-UHFFFAOYSA-N 283.287 2.519 0 1 CFAF Clc1ccccc1NCc1nc2cncnc2[nH]1 587062795 WCWDQVAQTWTZAU-UHFFFAOYSA-N 259.700 2.618 0 1 CFAF COC(=O)[C@@H]1CCCc2c1nc1cccc3c1c2CC3 587214847 VNVIYLGEGXMGIG-CYBMUJFWSA-N 267.328 2.926 0 1 CFAF Cc1cnc2[nH]c(-c3cc(F)c(N)c(F)c3)nc2c1 587135292 YJUFWUNDQSGWML-UHFFFAOYSA-N 260.247 2.794 0 1 CFAF Nc1ccnc2[nH]c(CCc3cc(F)c(F)c(F)c3)nc12 587138031 CJIDKBOBSRPRGO-UHFFFAOYSA-N 292.264 2.743 0 1 CFAF C[C@@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)N(C)C 587189345 BMNNWLVJWIINEK-ZETCQYMHSA-N 255.724 2.848 0 1 CFAF c1ncc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2n1 587949869 DRAFRJNNCSFQIK-UHFFFAOYSA-N 284.363 2.838 0 1 CFAF C[C@@]1([C@@H]2CCCS2)c2ccsc2CCN1C(N)=O 962708009 JJOBQQRBDSXYHL-AAEUAGOBSA-N 282.434 2.796 0 1 CFAF COc1ccc(C[C@@H]2COc3ccccc3C2=O)cc1O 167131783 LJDDBIKDGAHUSA-GFCCVEGCSA-N 284.311 2.835 0 1 CFAF O=C1CCC[C@]2(NCCc3ccc(O)cc32)c2ncccc21 963329644 QEKWRMNZKPGXFD-GOSISDBHSA-N 294.354 2.543 0 1 CFAF N[C@H]1CCc2c1nc1c(c2-c2ccccc2)CC[C@@H]1N 5541559 UFYFSHZVERDTKN-KBPBESRZSA-N 265.360 2.641 0 1 CFAF O=C1OCC(Cc2ccccc2)=C1c1ccc(O)cc1 13376437 CPWLGHVHNGSTNJ-UHFFFAOYSA-N 266.296 2.945 0 1 CFAF COC(=O)[C@@H](Cc1ccc(O)cc1)c1ccc(O)cc1 13470352 MRDCWKGYSIIFDN-HNNXBMFYSA-N 272.300 2.597 0 1 CFAF O=C(Nc1n[nH]c2nc(-c3ccc(O)cc3)ccc12)C1CC1 13538528 IHKGTVZWLMITRF-UHFFFAOYSA-N 294.314 2.679 0 1 CFAF CC(C)(C)C12COC(c3ccccc3O)(OC1)OC2 13733479 CIUPFQHJZLYGKZ-UHFFFAOYSA-N 264.321 2.612 0 1 CFAF COc1ccc([C@@H]2CN3CCCC[C@@H]3CO2)cc1OC 169315899 IOIJULJCADKGNK-CJNGLKHVSA-N 277.364 2.630 0 1 CFAF Cc1cccc(NC(=O)Nc2nc(O)c3n2CCC3)c1C 169719170 AOFSXYLBVZAYDW-UHFFFAOYSA-N 286.335 2.796 0 1 CFAF Nc1ccc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1 16851 MPHQHJHDVWNTIX-UHFFFAOYSA-N 288.253 2.903 0 1 CFAF CN(C)C(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 234388 QEVCLQSVLRUDFM-WBVHZDCISA-N 294.354 2.867 0 1 CFAF CCO[C@]12C[C@@H]3CCC[C@H](C)[C@@]3(C)[C@H](O)C1=C(C)C(=O)O2 2356443052 YVOOVMQQAQCZEN-UJNBFMONSA-N 294.391 2.800 0 1 CFAF CCOC(=O)[C@@]1(C)CCCCN1C(=O)c1cccs1 61908440 GOGOKSVNYLIGOY-CQSZACIVSA-N 281.377 2.696 0 3 CFAF O=c1ccc2ncn(-c3cccc(Cl)c3F)c2[nH]1 68198030 AXAJWWDMDGUDRX-UHFFFAOYSA-N 263.659 2.506 0 1 CFAF CCC(=O)N(Cc1ccc2ccccc2c1)[C@@H]1CCNC1 34657452 RCMGBZYHSPTETA-QGZVFWFLSA-N 282.387 2.940 0 1 CFAF NC(=O)c1ccnc(-c2ccccc2C(F)(F)F)c1 32523767 UOGRMOFLBPNDFX-UHFFFAOYSA-N 266.222 2.866 0 1 CFAF CCCCCC[C@@H]([C@H](C)O)n1cnc(C(N)=O)c1Cl 34633634 ANJUWBLUJCKCDG-UWVGGRQHSA-N 287.791 2.528 0 1 CFAF CCCc1c(O)ccc2c1O[C@@](C)(CCC(=O)O)CC2=O 34187663 UASZRIUNGOYRRA-INIZCTEOSA-N 292.331 2.933 0 1 CFAF Cn1nc(-c2cccc(O)c2)nc1-c1cccc(O)c1 40428833 IKZZQAULOUSDGN-UHFFFAOYSA-N 267.288 2.560 0 1 CFAF Nc1ccccc1-c1ccc(C(=O)NC2CCC2)[nH]1 43017784 CHKYQEMJSTWOSJ-UHFFFAOYSA-N 255.321 2.546 0 1 CFAF COc1ccc(F)cc1CCC[C@H]1CC[C@@H](CN)O1 40863028 BWBCTVUBHWYIEP-KBPBESRZSA-N 267.344 2.663 0 1 CFAF c1ccc(C[n+]2cc[n+](-c3cccc4[nH]ccc34)cc2)cc1 98083420 MDRPHHDESWTRFX-UHFFFAOYSA-O 287.366 2.780 0 1 CFAF COC(=O)/C(=C/c1ccccc1Cl)CSC(=N)N 95558728 YCZGOQZPAKJAAW-RMKNXTFCSA-N 284.768 2.523 0 1 CFAF COC(=O)C[C@H](C)Cc1nc2cc(C)c(C)cc2[nH]1 587784490 HTENYCWRAVGRKG-SECBINFHSA-N 260.337 2.921 0 1 CFAF Oc1nncc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 587153022 UWGKJEHITVGLAA-SFYZADRCSA-N 288.257 2.608 0 1 CFAF C[C@@H](Sc1ncccn1)c1nc2cccc(O)c2[nH]1 586964224 ZKQUCHAJEPXTBI-MRVPVSSYSA-N 272.333 2.912 0 1 CFAF Cc1ncsc1CCc1nc2cc(F)cnc2[nH]1 587028563 WFYDGRCUJNJGPK-UHFFFAOYSA-N 262.313 2.647 0 1 CFAF O=C(Cc1nc2ccccc2[nH]1)OCc1ccccc1 587783112 XOGLSLBOIFOJDE-UHFFFAOYSA-N 266.300 2.849 0 1 CFAF COC(=O)C[C@H](C)Cc1nc2cc(F)c(F)cc2[nH]1 587784050 DHAPUFHJPSENGD-SSDOTTSWSA-N 268.263 2.583 0 1 CFAF COc1c(F)ccc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1N 587133563 SMYLJYIBHLCRMA-UHFFFAOYSA-N 297.293 2.836 0 1 CFAF Cc1cncc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c12 586904477 UKLQEIOZYZCAMZ-OCCSQVGLSA-N 265.316 2.835 0 1 CFAF O[C@@H](c1nc2ccc3c(c2[nH]1)CCCC3)C1CCOCC1 586916767 OODZTUUSYWREQW-MRXNPFEDSA-N 286.375 2.902 0 1 CFAF COC(=O)c1ccc2nc([C@@H]3CCCC(=O)CC3)[nH]c2c1 586885608 NARIHPHMBXSKER-SNVBAGLBSA-N 286.331 2.966 0 1 CFAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(C)(CO)C1 587491423 VQFBLYNFNPAVQR-UHFFFAOYSA-N 290.359 2.841 0 1 CFAF Cc1cc(F)c2[nH]c(-c3c(N)cccc3O)nc2c1 587250878 UTUYCBIMGHAMOB-UHFFFAOYSA-N 257.268 2.965 0 1 CFAF Cc1cc2c(cc1F)[C@@H](CCCC(=O)O)NCC2 962373686 IUKMTIGKFFVZHD-CYBMUJFWSA-N 251.301 2.576 0 1 CFAF CC(C)(C)[C@@H]1C[C@@](O)(CC(=O)O)c2cc(F)ccc2O1 13456260 YBNZHNUIOQTICJ-SWLSCSKDSA-N 282.311 2.685 0 1 CFAF CC(=O)Nc1nc(-c2ccccc2)nn1Cc1ccccc1 13536783 BGFILYKMWGEQPO-UHFFFAOYSA-N 292.342 2.952 0 1 CFAF CC1(C)N=C(N)N=C(N)N1c1cccc(-c2ccccc2)c1 17039561 BVTVANDLMSRBQT-UHFFFAOYSA-N 293.374 2.539 0 1 CFAF O=c1ccc2c(-n3cnc(-c4ccccc4)c3)nccc2[nH]1 27551326 OKUDPOZHQDAYMA-UHFFFAOYSA-N 288.310 2.776 0 1 CFAF CON1C(=O)C2(CCCCC2)C(=O)[C@@]12C=C[C@H](C)CC2 1628818 BUFHUBGYZDDJBC-LRDDRELGSA-N 277.364 2.635 0 1 CFAF CCN1c2ncccc2C(=O)Nc2c(C)cc(F)nc21 6385186 UPRAQJJHHIYMOB-UHFFFAOYSA-N 272.283 2.648 0 1 CFAF O=C1NC(=O)[C@H](c2ccccc2OCc2ccccc2)O1 27870331 HPKGRYJVZDVIGV-AWEZNQCLSA-N 283.283 2.573 0 1 CFAF Cc1nccn1C[C@@H]1CC[C@H]2[C@@H](C1=O)c1ccccc1N2C 100382633 JIMWRSFMRULTNX-JQFCIGGWSA-N 295.386 2.773 0 1 CFAF Cn1cnc2c(NCCc3ccccc3)nc(Cl)nc21 26580008 KLQQIOCMFLQRKU-UHFFFAOYSA-N 287.754 2.671 0 1 CFAF O=c1cnc(-c2ccc3[nH]c(-c4ccncc4)cc3c2)c[nH]1 26730054 GNLOOJWPIAYFED-UHFFFAOYSA-N 288.310 2.980 0 1 CFAF c1nc(N2CCC[C@H]3CCCC[C@H]32)c2[nH]cnc2n1 20444021 VEHOAXRWERIIOY-GHMZBOCLSA-N 257.341 2.512 0 1 CFAF CC[C@@H](C[C@H]1COC(N)=N1)Oc1cccc(Cl)c1 117245021 BEEXOKZWBRZYAE-QWRGUYRKSA-N 268.744 2.601 0 1 CFAF COc1ccc([C@H]2Oc3cc(OC)ccc3C[C@@H]2O)cc1 36375067 UAZVYJFUSBJXNA-DOTOQJQBSA-N 286.327 2.741 0 1 CFAF CCCN(CCC)[C@H]1Cc2cc(O)c(OC)cc2C1 40466914 LHVGOCJMWFMGFU-AWEZNQCLSA-N 263.381 2.990 0 1 CFAF CS(=O)(=O)Nc1ccncc1NC1CCCCCC1 49051765 QESKWFHLMDMCIE-UHFFFAOYSA-N 283.397 2.588 0 1 CFAF CC[C@@H](C)CNc1nc(N2CCSCC2)ncc1C 82201947 GZWYVGOAMFVWAT-LLVKDONJSA-N 280.441 2.796 0 1 CFAF S=C1N[C@H](c2cccc(Cl)c2)N2CCCCN12 96921403 UEKPOSARMWSKRI-NSHDSACASA-N 267.785 2.540 0 1 CFAF COc1cc2c(c(OC)c1OC)C(=O)[C@H]1O[C@@H]2[C@H](C)[C@@H]1C 238787419 CTOMBICFHOIYRL-STWVUXQISA-N 292.331 2.621 0 1 CFAF CCCCc1ccc(COC(=O)[C@H](O)CC)cc1 95571833 NLYREPAXDNNTBK-CQSZACIVSA-N 250.338 2.843 0 1 CFAF CN(Cc1cccc(F)c1)[C@H]1[C@H]2[C@H]3C(=O)[C@@H]4[C@H]5[C@H]3C[C@H]2[C@H]5[C@@H]14 299845624 MSTPNDDVMWUDFF-FPSQFQRPSA-N 297.373 2.583 0 1 CFAF COC(=O)N1C(=O)C=CC[C@H]1/C=C/c1ccccc1 299832439 GMQNDDGYXVQQGY-NHAQELONSA-N 257.289 2.623 0 1 CFAF c1cc(N2CCN3CCC2CC3)c2cccnc2c1 653697110 OPWFCQRPQFRMJJ-UHFFFAOYSA-N 253.349 2.519 0 1 CFAF CCCc1c(O)ccc2c1O[C@]1(CCCNCC1)CC2=O 587478145 AJSDLRAQCYTSPV-KRWDZBQOSA-N 289.375 2.822 0 1 CFAF N[C@@H](Cc1ccccc1Cl)c1nc2cnccc2[nH]1 587059616 ULHUYQOQSITUIS-NSHDSACASA-N 272.739 2.854 0 1 CFAF C[C@H](O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587528680 DOFNARCARKOSHO-MGPLVRAMSA-N 260.333 2.670 0 1 CFAF Cc1cc2nc([C@H](O)C3CCOCC3)[nH]c2cc1Cl 586914163 VCHZNWXDSJSXHJ-CYBMUJFWSA-N 280.755 2.985 0 1 CFAF O[C@H]1C=C[C@@]2(C1)c1ccsc1CCN2Cc1cccnc1 962997904 MVDPGNSBPKPQSL-WMLDXEAASA-N 298.411 2.718 0 1 CFAF COC(=O)[C@H](CC(C)C)n1sc2ccccc2c1=O 1772656218 KJIDAQPYZDWOCO-NSHDSACASA-N 279.361 2.823 0 1 CFAF COc1cccc(Sc2cccc3nc(N)nc(N)c23)c1 5889719 BMRIOYXEWAKYAY-UHFFFAOYSA-N 298.371 2.954 0 1 CFAF Cn1c(C(=O)NC[C@@H]2CCCO2)cc2oc3ccccc3c21 4436466 IWPIEYRDDHWEBM-NSHDSACASA-N 298.342 2.833 0 3 CFAF Nc1[nH]nc(CCCCO)c1-c1nc2ccccc2s1 114399470 IULCZULZOOCRHM-UHFFFAOYSA-N 288.376 2.584 0 1 CFAF CC(=O)CC[C@H](C=C[C@](C)(O)CC(C)=O)C(C)C 2356427660 IRHPCGCGDGIOQA-CABCVRRESA-N 254.370 2.914 0 1 CFAF COC[C@]1(O)[C@@H](CO)[C@H]2CC[C@@]1(C)[C@@]2(C)C1CCCC1 2356468874 TXHFBRWHXQLYEB-XAJHFOFHSA-N 282.424 2.599 0 1 CFAF COc1cnc(-c2ccccn2)nc1N1CCCCC1 84687269 UJYKMIQVKUODIS-UHFFFAOYSA-N 270.336 2.538 0 1 CFAF Cc1cc(-n2c(=S)nc3cc(C)on3c2=S)no1 82052501 RALPEGQCKMQWQH-UHFFFAOYSA-N 280.334 2.782 0 1 CFAF CCCCc1cc(O)cc(O)c1-c1cc(O)cc(=O)o1 222469566 XBZLTGAZHXLCNH-UHFFFAOYSA-N 276.288 2.766 0 1 CFAF COc1ccc(-c2cncc3sc(C(N)=O)c(N)c23)cc1 621431263 URSKPJJQWLRWNJ-UHFFFAOYSA-N 299.355 2.653 0 1 CFAF COc1cc(-c2cc(-c3c(O)cccc3O)n[nH]2)ccc1O 473091958 RNFXQPUQAXMIQJ-UHFFFAOYSA-N 298.298 2.869 0 1 CFAF Cc1ccc2c(c1)[C@](O)(c1c[nH]c3ccc(C)cc13)C(=O)N2 299829151 KROPNVSRGIBZJE-SFHVURJKSA-N 292.338 2.973 0 1 CFAF CS(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1 587967356 NSFGQHINUYEOSM-HOSYDEDBSA-N 288.372 2.646 0 1 CFAF NCCOCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587245166 OYUJCMDAAXTDPE-UHFFFAOYSA-N 293.676 2.710 0 1 CFAF COc1ccc2c(c1)C[C@H](c1nc3cnncc3[nH]1)CC2 587947516 XMTRSIQUBSCGBO-LLVKDONJSA-N 280.331 2.634 0 1 CFAF Cc1cncc2nc([C@@H](C)Sc3ncccn3)[nH]c12 586963191 FXOSYDDCSVQABG-SECBINFHSA-N 271.349 2.910 0 1 CFAF Oc1nc(-c2nc3cc(Br)ncc3[nH]2)cs1 587016643 DRLPUGIMSBQVCE-UHFFFAOYSA-N 297.137 2.550 0 1 CFAF COc1cc2c3c(c1)OC1(C[C@H]4CC(=O)C[C@@H]4C1)[C@@H](C2)C3=O 587447395 RJDADFCLZWXOLA-GYSYKLTISA-N 298.338 2.571 0 1 CFAF Nc1cc(C(=O)O)cc(-c2nc3ccnc(Cl)c3[nH]2)c1 587250301 ZURQDZFUYGVSPT-UHFFFAOYSA-N 288.694 2.559 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1cccnc1F)[C@@H](C2)C3=O 587430148 YSYVBOAOVFCGDS-YVEFUNNKSA-N 299.301 2.892 0 1 CFAF Cc1ccc(SC[C@@]2(C(F)F)NC(=O)N=C2O)cc1 5923155 ZQUZFOUODQPKTN-LBPRGKRZSA-N 286.303 2.771 0 1 CFAF Cn1nc(NC(=O)NCCc2ccccc2)sc1=S 13796915 MERJKQXKRDMMLJ-UHFFFAOYSA-N 294.405 2.575 0 1 CFAF COc1c(O)c2c3c(c1OC)CCN[C@@H]3Cc1ccccc1-2 14775234 XLXSXOHBVGWKMT-CYBMUJFWSA-N 297.354 2.819 0 1 CFAF biogenic,in-vivo COc1cc(O)c(CC=C(C)C)c(O)c1C(C)=O 14819097 KASLWEHUDINBOP-UHFFFAOYSA-N 250.294 2.818 0 1 CFAF c1cc2c3c(c1)-c1cc4c(cc1CN3CC2)OCO4 32265412 NWJBCDNATQJZOD-UHFFFAOYSA-N 251.285 2.958 0 1 CFAF COC(=O)CC[C@@H]1CC[C@]2(O[C@@H](C)[C@@H](C)O2)[C@@H]1C 2356335895 GRFWLIKOJLKQIX-DIACKHNESA-N 256.342 2.506 0 1 CFAF CC(=O)N[C@@H](C)C12C[C@H]3C[C@H](CC(CC(=O)O)(C3)C1)C2 4197212 FILJOBLEUYFETE-MOKSEWLOSA-N 279.380 2.572 0 1 CFAF c1ccc2c(c1)cc(-c1nc3ccccc3[nH]1)c1nnnn12 103223768 MDJXMWGYJVLKPB-UHFFFAOYSA-N 286.298 2.821 0 1 CFAF Cc1ccc(-c2ccc3n(c2=O)C[C@@H]2CNC[C@@H]3C2)s1 101043310 GDOJWRLPIHNADV-RYUDHWBXSA-N 286.400 2.592 0 1 CFAF C=Cc1c(-c2cccs2)nn(CCCC)c(=O)c1N 28710295 JDVZCYIVXHXWFB-UHFFFAOYSA-N 275.377 2.997 0 1 CFAF CC(=O)O[C@@H]1C[C@](C)(CO)[C@H]2CCc3ccoc3[C@@]2(C)C1 2356489242 PYULQCRCTVJQMH-SRABZTEZSA-N 292.375 2.824 0 1 CFAF CCC1=C[C@](CC)(C[C@H](CC)[C@H](O)[C@@H](O)CC)OC1=O 2356524371 BDLUQCFNXXOLMR-PCBIJLKTSA-N 284.396 2.577 0 1 CFAF CCc1ccc([C@@H](C(=O)OC)[C@H]2CCCCN2)cc1 64442585 WNIYTNIFAQJHLP-HUUCEWRRSA-N 261.365 2.648 0 1 CFAF in-vivo CC(=O)O[C@@H]1CC[C@](C)(O)[C@@H]2[C@H](CC(C)(C)O)CC[C@]12C 2356538702 NPBYTIHOCDRNRJ-SZVRAQGESA-N 298.423 2.656 0 1 CFAF C[C@H]([C@@H](O)c1ccccc1)N(C)CCc1cccc(O)c1 2356674538 MCGDVGVSHUJNQS-RDTXWAMCSA-N 285.387 2.989 0 1 CFAF CCC[C@@]1(C(=O)c2ccc3[nH]ncc3c2)CCCN1 62225349 FTQBIVFBXYAAQX-HNNXBMFYSA-N 257.337 2.668 0 1 CFAF CS(=O)(=O)Oc1cccc(SCc2ccccc2)n1 34222785 PZSBZKSRAZYEKP-UHFFFAOYSA-N 295.385 2.712 0 1 CFAF OCSC1=NCc2c([nH]c3ccccc23)S1 238754407 JONJYJNMJFZOPB-UHFFFAOYSA-N 250.348 2.813 0 1 CFAF c1ccc(CNC[C@H]2COC[C@H](c3ccccc3)O2)cc1 473171720 VHVZNPMMXKIJMS-ZWKOTPCHSA-N 283.371 2.933 0 1 CFAF C[C@@](O)(Cn1cncn1)c1ccc(-c2ccccc2)cc1 299871631 YXLIEYSFVSCWQA-QGZVFWFLSA-N 279.343 2.853 0 1 CFAF CC(=O)c1c(Cc2ccccc2)nc(O)c2cccn12 299822316 NHLSUHWCECGWQN-UHFFFAOYSA-N 266.300 2.833 0 1 CFAF COC(=O)c1c(-c2cnccn2)[nH]c2cc(F)ccc12 587636885 OAEFQIQTFKXQTJ-UHFFFAOYSA-N 271.251 2.551 0 1 CFAF C[C@H]1CCO[C@H](c2nc3ccc(C(=O)O)cc3[nH]2)C1 586916829 GFGRONATXOHSHW-UFBFGSQYSA-N 260.293 2.749 0 1 CFAF Clc1ncc(-c2nc3ccnc(Cl)c3[nH]2)cn1 587085757 GCJDBCNIWYBTJN-UHFFFAOYSA-N 266.091 2.722 0 1 CFAF COc1cc2nc([C@@H](O)C3CCOCC3)[nH]c2cc1Cl 586913566 NGGOTRMRFCUSHU-ZDUSSCGKSA-N 296.754 2.685 0 1 CFAF CN[C@@H](c1cccnc1)c1nc2cccc(Cl)c2[nH]1 587224311 RHXFADOBCVXTEI-LBPRGKRZSA-N 272.739 2.920 0 1 CFAF CCOC(=O)c1ccc2nc(-c3cccc(CN)c3)[nH]c2c1 587247270 XHPVFGOMCJIDOW-UHFFFAOYSA-N 295.342 2.865 0 1 CFAF Cc1cc2c(cc1F)[C@@]1(CCCCn3nccc31)NCC2 962381423 YDTIXKGPCXLAGV-QGZVFWFLSA-N 285.366 2.904 0 1 CFAF CSC1=NC(=Cc2cn(C)c3ccccc23)C(=O)N1C 1857615294 HBQLYJWBEMNEJI-UHFFFAOYSA-N 285.372 2.710 0 1 CFAF N=C(N)N1CCC[C@H](Cc2cccc3ccoc23)C1 1772648873 WTKJOCPPKQFOKK-LLVKDONJSA-N 257.337 2.581 0 1 CFAF CCCN(CCC)[C@H]1Cc2cccc3c2N(C1)C(=O)C3 13452242 BYLFIXSYAHAHIR-HNNXBMFYSA-N 272.392 2.622 0 1 CFAF CC(=O)N(/C=C(\C)n1c(=O)[nH]c2ccccc21)CC(C)C 205860325 PGJWMLXWHXCKFJ-ZRDIBKRKSA-N 287.363 2.652 0 3 CFAF O=C(O)Cc1ccc2c(c1)[C@@H](O)Cc1ccccc1O2 26012040 NVGVLVNEDRNXDT-ZDUSSCGKSA-N 270.284 2.696 0 1 CFAF Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1C 426041 UUYUSNTYGICKSX-IKARSPCKSA-N 267.328 2.615 0 1 CFAF C[C@@H]1OC2(CCN(C)CC2)C[C@]1(c1ccccc1)[C@@H](C)O 3592347 UASPIUVEJABWPP-VKJFTORMSA-N 289.419 2.578 0 1 CFAF CN(C)C1CSC(C(=O)c2ccccc2)SC1 103185387 UBDHLMBOCIFIGR-UHFFFAOYSA-N 267.419 2.606 0 1 CFAF COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@H]2CC[C@H]1N2C 100645017 MMKZDDDDODERSJ-FPCVCCKLSA-N 273.376 2.734 0 3 CFAF in-vivo O=C(C1CC1)[C@@H](c1ccccc1F)N1C(=O)CSC1=O 103264278 CEKBCKUTZKSOHY-GFCCVEGCSA-N 293.319 2.541 0 1 CFAF COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@H]2CC[C@H]1O2 100796008 UNNABHWRKRTYKT-SYQHCUMBSA-N 264.296 2.650 0 1 CFAF CNC[C@@]1(O)Cc2ccccc2[C@@H]1Cc1ccccc1C 40836214 IOEFEBQWPLLQHN-OALUTQOASA-N 281.399 2.828 0 1 CFAF O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)CC(=O)O2 64251868 LNAJHFBURMAQSH-RMKNXTFCSA-N 280.279 2.767 0 1 CFAF C[C@H]1CCC[C@@H](C)[C@H](O)C=C[C@](C)(O)CCC(=O)O[C@H]1C 2356727457 OKJSCVKMKIRSLR-SVZOTFJBSA-N 298.423 2.823 0 1 CFAF O=C1OCC=C1CSC(=S)Nc1ccccc1 71418507 HBEJDPSVFAORCR-UHFFFAOYSA-N 265.359 2.600 0 1 CFAF CS(=O)(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1 40380634 UISYHKUAFRQWRK-UHFFFAOYSA-N 287.344 2.601 0 1 CFAF Cc1cc(-c2nccc3[nH]c(N)nc23)[nH]c1Br 45255787 HUOCVLFPJPYQLT-UHFFFAOYSA-N 292.140 2.606 0 1 CFAF C[C@H]1C[C@@H]2C[C@]3(CCCCN3)[C@H]3C[C@@H]2[C@@H](C1)N(C)C3 238744768 YRZIDGXKVCRUEN-RHJCGQNESA-N 262.441 2.885 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)CC[C@@H]3Cc1ccccc1 587561975 NAOONXUPLCVADL-LLVKDONJSA-N 293.326 2.709 0 1 CFAF CC[C@]1(c2cnn(C)c2C)CC(=O)c2cc(C)cc(N)c2O1 587392348 STCZXMQKRDMJAL-QGZVFWFLSA-N 299.374 2.890 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3ncccc3C1)O2 587395864 VFBXOPYPXGTJRW-SFHVURJKSA-N 294.354 2.865 0 1 CFAF CCOCCOCc1nc2ccc(SC)cc2[nH]1 587778467 KYYCTCFTVLQHIF-UHFFFAOYSA-N 266.366 2.838 0 1 CFAF CN[C@@H](c1cccnc1)c1nc2ccc(SC)cc2[nH]1 587224950 IWYNYVXFQQRBQQ-AWEZNQCLSA-N 284.388 2.989 0 1 CFAF CC(C)[C@H](N)c1nc2c(Cl)c(Cl)cnc2[nH]1 587258715 JEGZDQACAVAWEA-ZETCQYMHSA-N 259.140 2.921 0 1 CFAF C[C@H](O)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587824406 BQTHKEDCUSSORR-KEHGIVTQSA-N 288.160 2.544 0 1 CFAF CC(C)[C@](C)(O)c1nc2c(F)cnc(Cl)c2[nH]1 586885214 AOAAHTNWSONYSG-NSHDSACASA-N 257.696 2.614 0 1 CFAF Cc1ccnc2c1CCN[C@H]2c1ccc(N2CCCC2)nc1 963088847 PCOHBEXFJBNKSR-KRWDZBQOSA-N 294.402 2.620 0 1 CFAF CC1(C)C[C@H]2[C@@H](C1)[C@H](O)c1cocc1C[C@]2(C)O 5762447 CJMRDWKLOVHYSM-HTUGSXCWSA-N 250.338 2.673 0 1 CFAF biogenic,in-vitro CCCN1C[C@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1CCCCO 169333621 XJBOGCXCTOUIJX-TVFCKZIOSA-N 294.483 2.734 0 1 CFAF CO[C@@H]1CC(COCc2ccccc2)C[C@H](OC)O1 1861646 PXFKOSQMSTUDRQ-GOOCMWNKSA-N 266.337 2.575 0 1 CFAF COc1ccc(S(=O)(=O)/C=C/c2ccccc2N)cc1 103248152 LOFGQXIZHVMHAD-ZHACJKMWSA-N 289.356 2.722 0 1 CFAF C[C@@H](c1ccccc1)n1cnc2c(N(C)C)ncnc21 25977256 QWKUCITULSLMLK-NSHDSACASA-N 267.336 2.502 0 1 CFAF CCN1[C@H]2CC[C@@H]1CC(NC(=O)N1CCc3ccccc31)C2 29562398 GHYDWVPFCQRKOT-MQVJKMGUSA-N 299.418 2.774 0 1 CFAF O=C(C1CCCCC1)N1Cc2ccccc2-n2nncc2C1 61924169 JMRHOCVPFVTEAN-UHFFFAOYSA-N 296.374 2.690 0 3 CFAF CC(C)n1nc(-c2ccc3[nH]ncc3c2)c2c(N)ncnc21 64527810 SNHKARUQVBJTQS-UHFFFAOYSA-N 293.334 2.533 0 1 CFAF O=C1CCOc2nc(CCc3ccccc3)ccc21 66112211 JDIGFOXOLFCZMD-UHFFFAOYSA-N 253.301 2.832 0 1 CFAF CC(=O)O[C@H](C=Cc1ccccc1)C[C@H]1CC=CC(=O)O1 2356627024 TYMKVQRXYUDCIH-HZPDHXFCSA-N 286.327 2.893 0 1 CFAF C[C@@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1F 64448059 YDEVCGCLYOHOIL-KOLCDFICSA-N 264.296 2.926 0 1 CFAF in-vivo Nc1cccc(OC[C@H]2CN(c3ccccc3)C(=O)O2)c1 49784719 BLUSREMVCGEPFC-OAHLLOKOSA-N 284.315 2.673 0 1 CFAF CC1=CC[C@@]2(C[C@@H]1O)[C@@H](C(=O)O)CC[C@H]2C(C)C 43151299 ZIOMQRRFPWLXDN-XFMPKHEZSA-N 252.354 2.841 0 1 CFAF COC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccsc1 261168606 SLCCHPKEJRCPRS-LADTVORHSA-N 289.400 2.787 0 1 CFAF COc1cc(C)c(N)c(-c2nc3ccc(C)nc3[nH]2)c1 587248930 FYFFVZFZYWDZLN-UHFFFAOYSA-N 268.320 2.833 0 1 CFAF c1ccc2c(c1)CC[C@@]21C[C@H]1c1nc2ncc[nH]c-2n1 586892901 XXUUNKKLCQIARR-BLLLJJGKSA-N 262.316 2.676 0 1 CFAF CC(C)(C)NC(=S)n1ncc2ccc(Cl)cc2c1=O 587654489 KAWUDUUUQOUBII-UHFFFAOYSA-N 295.795 2.571 0 1 CFAF CCC(=O)[C@@]1(CC)CC(=O)c2cc(C)cc(N)c2O1 587403159 KHXMQMWNNATGBL-OAHLLOKOSA-N 261.321 2.670 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)CC[C@H]1CCCC[C@H]31 587562403 ZMUQIBAPCGHVCR-BDAKNGLRSA-N 271.320 2.656 0 1 CFAF O=C1CCC[C@@H](c2nc3c(S)nc(S)nc3[nH]2)CC1 586884933 KFMCXHDFLKJEBR-ZCFIWIBFSA-N 294.405 2.547 0 1 CFAF O=c1c2cc(Cl)ccc2cnn1-c1ccc(F)cn1 587652592 WBNSMGXFTFOXJI-UHFFFAOYSA-N 275.670 2.573 0 1 CFAF CN(C)C(=O)C[C@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21 963092865 AUDAVUYQHBRJSM-WMLDXEAASA-N 290.382 2.540 0 1 CFAF NCCN1C(=O)Nc2ccccc2[C@@H]1c1ccccc1 13553559 IHNWJAKZKSOBLF-HNNXBMFYSA-N 267.332 2.582 0 1 CFAF CN(C)CCOc1ccc2c(c1)ncn2-c1ccccc1 13798295 WKHHTMXHSFWCIX-UHFFFAOYSA-N 281.359 2.966 0 1 CFAF COC(=O)/C(C)=C/[C@@H](C)C[C@@H](C)C[C@@](C)(O)C[C@@H](C)O 169358054 IQQFJADQXWBZGX-LEQONYAESA-N 286.412 2.680 0 1 CFAF NC(=O)Nc1cc(-c2ccnn2C2CCCC2)ccn1 169702061 SJZOTDVCLJQSOD-UHFFFAOYSA-N 271.324 2.551 0 1 CFAF c1coc(-c2nc3ccccc3n2Cc2nnco2)c1 1857635174 RDNLWUDQJMVHBY-UHFFFAOYSA-N 266.260 2.728 0 1 CFAF CCOC(=O)[C@@]1(c2ccc(Cl)cc2)C[C@H]1CN(C)C 2021349 KOBFUVWHPQUMOA-SWLSCSKDSA-N 281.783 2.722 0 1 CFAF C[C@@H](SC(=S)Nc1cccc(F)c1)C(=O)O 6442674 YZVPUJSZOQRGAV-ZCFIWIBFSA-N 259.327 2.729 0 1 CFAF NCCc1c[nH]c(Cc2ccc(C(F)(F)F)cc2)n1 28755972 RMKGHDOMODXTPX-UHFFFAOYSA-N 269.270 2.521 0 1 CFAF CSc1nc2c(=O)c3cc(F)ccc3[nH]c2s1 27738436 NJAQEAGUYKTQKE-UHFFFAOYSA-N 266.322 2.999 0 1 CFAF CCN1CCN[C@@H]2c3c(C)c4ccccc4n3CC[C@@H]21 27315083 VQBGLWJDSULYBU-HOTGVXAUSA-N 269.392 2.688 0 1 CFAF CCN(CC)c1nc2cc(Cl)ccc2n2cnnc12 26379690 MWNBMNAPXAGFDF-UHFFFAOYSA-N 275.743 2.777 0 1 CFAF COc1ccnc2[nH]cc(-c3ccnc(SC)n3)c12 29135001 AJLTWCLIFVXAEJ-UHFFFAOYSA-N 272.333 2.750 0 1 CFAF COc1nn(-c2cccc(C)c2)c(=O)c(Cl)c1Cl 66114200 HBEUNPXDEDMSNX-UHFFFAOYSA-N 285.130 2.856 0 1 CFAF C[C@]12CC[C@H]3[C@H]([C@@H](O)C[C@H]4C[C@@H](O)CC[C@H]43)[C@H]1CCC2=O 2356692841 MWTVKHPOHVKKET-UPHYRZBSSA-N 292.419 2.540 0 1 CFAF CCOCCNCc1coc(-c2cccc(OCC)c2)n1 72183381 RXFMSEXWYWJOCW-UHFFFAOYSA-N 290.363 2.866 0 1 CFAF CNc1cc(-c2cccc(CN)c2)c2cc[nH]c2n1 72168613 GPAHHGALBMIQQX-UHFFFAOYSA-N 252.321 2.730 0 1 CFAF COc1ccc(-c2c(O)oc3cc(O)ccc3c2=O)cc1 137162613 KWVFUDLEBPDZSJ-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF CCCC[C@H](N)[P@](=O)(O)[C@H](O)[C@@H](C)c1ccccc1 49087942 URWFEJMYAFQRIB-YUTCNCBUSA-N 285.324 2.854 0 1 CFAF O=Cc1c(O)ccc2c1CCN(Cc1ccccc1)C2 221060501 JXEWFOQECKCEHV-UHFFFAOYSA-N 267.328 2.763 0 1 CFAF COc1cccc(-c2cc(NC[C@@H]3CCCO3)ncn2)c1 82161217 LULSBJQQJOEHTN-AWEZNQCLSA-N 285.347 2.743 0 1 CFAF CC(=O)Nc1cccc(Oc2cc(N3CCCC3)ncn2)c1 82067451 PJTPBTARISOLBB-UHFFFAOYSA-N 298.346 2.828 0 1 CFAF COC(=O)Cc1ccc(-c2ccc3c(c2)COC3=O)s1 82157583 MAYMJMGLYAWTCL-UHFFFAOYSA-N 288.324 2.801 0 1 CFAF C[C@]12CCCC(=O)N1CCc1c2[nH]c2ccccc12 95784244 LWDBHYFCXDXNBF-MRXNPFEDSA-N 254.333 2.952 0 1 CFAF CC(C)N(Cc1cnc[nH]1)c1cccc(Br)n1 96177538 QQYLVWRFBYMPAO-UHFFFAOYSA-N 295.184 2.982 0 1 CFAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(=N)[nH]ccc3[nH]2)n1 587080723 XWFMCAVLWDLZRZ-SSDOTTSWSA-N 290.758 2.858 0 1 CFAF CCOC(=O)Cc1nc2ccc3nc(C)ccc3c2[nH]1 587777558 QONNPVLZWHHXPA-UHFFFAOYSA-N 269.304 2.525 0 1 CFAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(O)ncnc3[nH]2)n1 587078920 CZJHIUYAEWALAI-LURJTMIESA-N 292.730 2.546 0 1 CFAF CCc1nccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 587394168 RBWQOZTYGWXCGH-CQSZACIVSA-N 283.331 2.636 0 1 CFAF Cc1cc(F)c2[nH]c([C@H]3CC(=O)OC3(C)C)nc2c1 586905914 ADWDBHVWCBSCAI-MRVPVSSYSA-N 262.284 2.820 0 1 CFAF Cc1cc(-n2c(O)ccc2O)nn1Cc1ccccc1F 587944237 BAKDFDVFQQMGNM-UHFFFAOYSA-N 287.294 2.581 0 1 CFAF CC[C@@]1([C@H]2CCCNC2)CC(=O)c2cc(C)cc(N)c2O1 587399350 IKFVNJMVUMHRCI-SJCJKPOMSA-N 288.391 2.691 0 1 CFAF CC(C)(C)C(=O)C[C@H]1NCCc2nc3ccccn3c21 962990606 RNCQTPSVOBCGCA-GFCCVEGCSA-N 271.364 2.526 0 1 CFAF Cc1cccc2c1[C@]1(NCCc3cccc(Cl)c31)C(=O)N2 963390621 LOVHOIIPPBNKMV-QGZVFWFLSA-N 298.773 2.990 0 1 CFAF NC[C@]1(C2CC2)NCCc2c(Cl)cc(Cl)cc21 963118450 FXKZNSNLHMGKAF-CYBMUJFWSA-N 271.191 2.703 0 1 CFAF COc1ccc2c(c1)CCN[C@@H]2Cc1ccc(OC)c(O)c1 13831374 NYGNBPLXMNXERU-MRXNPFEDSA-N 299.370 2.839 0 3 CFAF O=C(O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2OCC[C@@H]12 15952392 IDLFKXPQOUGXNN-BKDNQFJXSA-N 287.237 2.662 0 1 CFAF Cc1ccc([C@@H]2c3c(n[nH]c3C)N=C3COC(=O)[C@H]32)cc1C 1857575560 TYJNOBGMCSRTPQ-HUUCEWRRSA-N 295.342 2.726 0 1 CFAF CNC(=O)N1N[C@H](c2ccccc2)[C@@H]1c1ccccc1 3592567 YFNUMALNOCYIRY-CABCVRRESA-N 267.332 2.629 0 1 CFAF O=C1c2ccccc2[C@]2(c3cccc(O)c3)SCCN12 6583039 VLVZNPNEXWRNBP-INIZCTEOSA-N 283.352 2.796 0 1 CFAF COc1ccccc1[C@@H]1NC(c2ccccc2C)=NO1 25106346 VPNYFTJYXRDYHS-MRXNPFEDSA-N 268.316 2.984 0 3 CFAF COC(=O)C/C=C1/c2ccc(OC)cc2[C@@H](OC)[C@H]1C 102910447 LEYPXOBPYVCVHC-PRPFDBRFSA-N 276.332 2.979 0 1 CFAF FC(F)(F)c1ccc(-c2ccc3nncn3n2)cc1 27657351 NCMZVQSFCNNJOE-UHFFFAOYSA-N 264.210 2.810 0 1 CFAF Oc1nnc(-c2ccccc2)c2nc(Cl)c(Cl)n12 28013125 DSTYJXBJTKLKKX-UHFFFAOYSA-N 281.102 2.804 0 1 CFAF CCOc1ccccc1-c1nc(CN2CCC=N2)co1 72100836 IJHGYJIBFZYQRR-UHFFFAOYSA-N 271.320 2.932 0 1 CFAF COc1ccc(-c2cc3ccccc3c(=O)n2OC)cc1 36388789 QULLMIIVMHDNEN-UHFFFAOYSA-N 281.311 2.736 0 3 CFAF O=S(=O)(c1cccc(Cl)c1)n1ccc2ncccc21 42922084 AFYQQQLDIYSYFF-UHFFFAOYSA-N 292.747 2.927 0 1 CFAF Nc1nc2c(-c3cc(Cl)c(Cl)[nH]3)nccc2[nH]1 45255215 LFUDVVYPIHQPSG-UHFFFAOYSA-N 268.107 2.842 0 1 CFAF COc1ccc(-c2nc3nc(C)cc(C)c3c(=O)[nH]2)cc1 40898356 TZMZGVOUIPXGSO-UHFFFAOYSA-N 281.315 2.611 0 1 CFAF CC[C@H](C)Nc1nc(N2C[C@@H](C)O[C@H](C)C2)ncc1C 82202922 GKZNSXCMUFMPLV-YNEHKIRRSA-N 278.400 2.609 0 1 CFAF Oc1cc(Cn2ccnc2)ccc1Oc1cccc(F)n1 95577985 QYSODJQOQSMKMY-UHFFFAOYSA-N 285.278 2.963 0 1 CFAF Cc1ccc(Nc2ccc(N)c3nc[nH]c(=O)c23)cc1 96937615 MSYSCTZISUJIRX-UHFFFAOYSA-N 266.304 2.557 0 1 CFAF COCC[C@H]1C[C@@H]1c1cncc(OC[C@H]2CCCN2C)c1 96915343 QWEBUPURHNWVEK-LXZKKBNFSA-N 290.407 2.695 0 1 CFAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)NCC[C@]34C)[C@@H]1CC[C@@H]2O 253633494 HSMQDJJGFZMMRG-SZHUTJPWSA-N 291.435 2.726 0 1 CFAF COC(=O)[C@H]1[C@H](c2ccc(F)c(C)c2)C[C@H]2CC[C@H]1N2C 261123508 JWQGRCSMNJKNOQ-CLWVCHIJSA-N 291.366 2.873 0 1 CFAF O=C1OCC(c2ccc(F)cc2)=C1c1ccc(CO)cc1 299822634 DAYPRILKPNLKNA-UHFFFAOYSA-N 284.286 2.786 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](CC(C)(C)C)(C(=O)O)O2 587407840 LNHIYVVRJPSQCO-INIZCTEOSA-N 291.347 2.802 0 1 CFAF Nc1ccnc2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc12 587081465 XBPWEBYJVIZOFU-NSHDSACASA-N 286.722 2.870 0 1 CFAF O=C(O)c1ccccc1/C=C/c1nc2cnccc2[nH]1 586881787 ZBLHATGZMXHUHL-AATRIKPKSA-N 265.272 2.827 0 1 CFAF Oc1cccc([C@@H](O)c2nc3cc(F)cc(F)c3[nH]2)c1 586893757 WNJJEKFLEKCUEN-CYBMUJFWSA-N 276.242 2.628 0 1 CFAF CC(C)(C)c1ccc2nc([C@@H](O)C3CCOCC3)[nH]c2n1 586917715 UQQLPPMDGCOEKG-ZDUSSCGKSA-N 289.379 2.715 0 1 CFAF CNc1c(F)cccc1-c1nc2ccc(OC)nc2[nH]1 587135630 KLTITQFMILYHGT-UHFFFAOYSA-N 272.283 2.814 0 1 CFAF CN[C@@H](c1cccnc1)c1nc2ccc(Cl)cc2[nH]1 587222425 KTVKIUDXANGKJZ-ZDUSSCGKSA-N 272.739 2.920 0 1 CFAF Clc1cnc(Cl)c2[nH]c([C@H]3CCOC3)nc12 586912384 RFHDSTLMELHFGR-YFKPBYRVSA-N 258.108 2.769 0 1 CFAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cccnc2[nH]1 587041854 GWYMRTZVQIOQIL-SNVBAGLBSA-N 290.392 2.578 0 1 CFAF COc1ccc(O)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587397795 BGGIRLZOCBHMHJ-MRXNPFEDSA-N 299.326 2.998 0 1 CFAF CC(=O)c1ccc2c(c1)C(=O)c1cc(C(=O)O)ccc1CC2 169336756 XEYNYIAJNFTFIE-UHFFFAOYSA-N 294.306 2.917 0 1 CFAF COC1=CC(=O)O[C@@H](/C=C/c2ccc(OC)c(OC)c2)C1 5918201 FISBBPCLKKQWQA-FUEXJSSKSA-N 290.315 2.563 0 1 CFAF C[C@@H](Cn1ccnc1)c1ccc2c(c1)CCC(=O)N2 13449944 BDHBMGZTEQDMIY-NSHDSACASA-N 255.321 2.572 0 1 CFAF CCCN(CCC)[C@H]1Cc2cccc3c2N(C1)C(=O)NC3 13452315 GZQMSNKBMQEZJK-HNNXBMFYSA-N 287.407 2.763 0 1 CFAF CCCCc1cc(C)c2c(N)c(C(N)=O)sc2n1 13686832 JOVMGNJYHJEUSS-UHFFFAOYSA-N 263.366 2.628 0 1 CFAF COc1cc2ncn(-c3ccccc3)c2cc1C=O 13798337 RIWYYSANHUHQRG-UHFFFAOYSA-N 252.273 2.847 0 1 CFAF COC(=O)c1ccc2c(c1)S[C@H]1C(=O)CCCC1=N2 169686744 YDPBCQQIPGCGPO-CYBMUJFWSA-N 275.329 2.773 0 1 CFAF Cc1ccc(C(=O)[C@@H](N=O)SCCN(C)C)cc1 169713392 AWEQGMUBNRORAZ-ZDUSSCGKSA-N 266.366 2.565 0 1 CFAF Cc1noc(C)c1-c1cc(N(C)Cc2ccco2)ncn1 4265106 PFFSOVGCHITCNX-UHFFFAOYSA-N 284.319 2.978 0 1 CFAF CCN(CC)C[C@@H](c1ccccc1C)N1CCN(C)CC1 28528176 BIAQKIDSZZQDQU-SFHVURJKSA-N 289.467 2.625 0 1 CFAF CCOC(=O)c1cnn(C2CCNCC2)c1-c1ccccc1 103201268 BYUXTAKDDOSZAD-UHFFFAOYSA-N 299.374 2.651 0 1 CFAF c1ccc(CCN[C@H]2[C@@H]3[C@H]4C[C@H]5[C@@H]6[C@H]4C[C@H]3[C@H]6[C@@H]52)cc1 101699918 KBAKPEFQDPCCTP-WGLSEQNYSA-N 265.400 2.965 0 1 CFAF O=C1Oc2cc(O)ccc2/C1=C\c1ccc(O)cc1 28522604 DJGNNZVFOBIPMK-NTUHNPAUSA-N 254.241 2.557 0 1 CFAF CCCc1cc(-c2c[nH]c3ncccc23)nc(N)n1 116641637 LZXOEEWQLBVYGX-UHFFFAOYSA-N 253.309 2.555 0 1 CFAF C[C@]12CC[C@@H]3[C@@H]4CC[C@H](O)C[C@@H]4[C@H](O)C[C@H]3[C@@H]1CCC2=O 2356390057 PDQDPBXUHQIIKF-WWVSCHDLSA-N 292.419 2.540 0 1 CFAF COc1cc(/C=C/c2ccc(OC)c(O)c2)oc(=O)c1 38236131 OCZUPEYJZNWTBK-HWKANZROSA-N 274.272 2.533 0 1 CFAF biogenic,in-vitro O=C(O)CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1 38355343 FLEOKTLZKINDIE-UHFFFAOYSA-N 298.747 2.742 0 1 CFAF CC(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)c1cnccn1 72103571 IVAIFHXUCZFXDR-ZDUSSCGKSA-N 295.264 2.721 0 1 CFAF Cn1c2c(c3cc(O)ccc31)CS(=O)(=O)c1ccccc1-2 40822639 RCUQJKVAIIVRAN-UHFFFAOYSA-N 299.351 2.838 0 1 CFAF O=C1C=C(Cl)[C@@](O)(c2ccc(Cl)cc2)N1C1CC1 224813078 DSWSKLAYIDZKGD-ZDUSSCGKSA-N 284.142 2.612 0 1 CFAF Cc1cc(F)ccc1CNC(=O)Cc1c(C)noc1C 84703969 JQUOUYWQUNNETD-UHFFFAOYSA-N 276.311 2.598 0 1 CFAF CC1(C)COc2c(-c3nc4c(N)ccnc4[nH]3)cccc21 586912437 RTORCBTVUNTCSU-UHFFFAOYSA-N 280.331 2.877 0 1 CFAF CCCc1c(O)ccc2c1O[C@@](C)(C(C)=O)CC2=O 587479248 CQLXJWHPLNJWTL-OAHLLOKOSA-N 262.305 2.658 0 1 CFAF N=c1cc2[nH]c(-c3ccc(OC(F)F)cc3)nc2c[nH]1 587131086 WVZGDNXJPOGVNV-UHFFFAOYSA-N 276.246 2.639 0 1 CFAF Cc1cnc(Cl)c2[nH]c([C@](C)(O)C(C)C)nc12 586887521 IWYYZNWYKHJCHV-GFCCVEGCSA-N 253.733 2.783 0 1 CFAF Cc1cc2c(cc1F)[C@H](C(=O)c1cccc(O)c1)NCC2 962088273 DQBDCFKTRGTKSZ-MRXNPFEDSA-N 285.318 2.909 0 1 CFAF CCN1c2cccnc2N(C)C(=O)c2ccc(C)nc21 5843284 JJRISFXONUILPM-UHFFFAOYSA-N 268.320 2.533 0 1 CFAF CO[C@@H]1C=C(CC/C=C(\C)[C@H](O)CC=C(C)C)C(=O)O1 13321843 KWJDQWGBHWFRJA-KOHOMEMWSA-N 280.364 2.886 0 1 CFAF CCOC(=O)c1c(NC(=O)C(C)C)sc2c1CCOC2 13443697 CRGSIUMMISWLTQ-UHFFFAOYSA-N 297.376 2.592 0 1 CFAF CCCN(C(C)C)[C@H]1COc2cccc(C(=O)OC)c2C1 13809371 FQVJYXWHSJKBKK-CYBMUJFWSA-N 291.391 2.897 0 1 CFAF CO[C@H]1CC[C@@H]1N1C(=O)CS[C@@H]1c1c(F)cccc1F 169293139 DOYWPVHFSLHLKP-COPLHBTASA-N 299.342 2.716 0 1 CFAF Cc1cc(-c2ccccn2)c(O)c2c1C[C@@H](C)OC2=O 1857586055 VNCRKIAYIGHPKY-SNVBAGLBSA-N 269.300 2.864 0 1 CFAF Cc1cccc(Cc2c(N)nc(-c3ccccn3)nc2N)c1 116192568 CPEHAUCGXMAKPU-UHFFFAOYSA-N 291.358 2.602 0 1 CFAF C[C@H]1C[C@H](C)CN(C(=O)Cn2cc3c(n2)CCCCC3)C1 6806898 QIRMDZKGHSCCNO-KBPBESRZSA-N 289.423 2.657 0 1 CFAF Cc1ccc(-c2nnc3c([n+]2[O-])C(C)(C)OC3(C)C)cc1 27555830 MNFSVHMFIUCIAS-UHFFFAOYSA-N 285.347 2.586 0 1 CFAF CC1(C)CC2=Nc3ncnn3[C@@H](c3cccnc3)C2=C(O)C1 104100364 SOUBUCFLYCJFIA-AWEZNQCLSA-N 295.346 2.981 0 1 CFAF Oc1cc2c3c(c1)Cc1ccccc1C[C@H]3NCC2 29041723 ZCATUTKNMGBMKU-MRXNPFEDSA-N 251.329 2.726 0 1 CFAF in-vivo Cc1ccc2nc(CO[C@@H]3CN(C(C)C)C[C@H]3F)[nH]c2c1 2356301737 DCOJTAJYKJTYMI-IUODEOHRSA-N 291.370 2.819 0 1 CFAF c1ccc(COc2ccc3c(c2)CCc2nncn2-3)cc1 28524738 OBQQUSIDALXHDB-UHFFFAOYSA-N 277.327 2.945 0 1 CFAF Nc1nccc2cc(CNCCOc3ccccc3)ccc12 66100848 KPFAKSUWHNLHIX-UHFFFAOYSA-N 293.370 2.986 0 1 CFAF O=C(O)/C(O)=C/c1ccc(OCc2ccc(F)cc2)cn1 28649663 WWVLJUFRWRSCOL-AUWJEWJLSA-N 289.262 2.783 0 1 CFAF CC(C)[C@]1(C)OC(NC23CC4CC(CC(C4)C2)C3)=NC1=O 28824000 SXUNWRASWMFUHH-JPVQUXCTSA-N 290.407 2.872 0 1 CFAF Cc1cc(C(=O)C(C)C)c2c(c1O)OC(=O)C[C@H]2C 2356589879 WAXFSCBPKDNRDM-MRVPVSSYSA-N 262.305 2.952 0 1 CFAF CCCC=CC=CCCCCC[C@@H]1C[C@@H](O)[C@@H](N)CN1 2356785653 ALPPRTQKVXDWNZ-IXDOHACOSA-N 280.456 2.900 0 1 CFAF O=C(Oc1ccc2c(c1)OCCC2=O)c1ccccc1 66111997 NBOAWMUWUXJPTE-UHFFFAOYSA-N 268.268 2.871 0 1 CFAF COc1cc(OC)c(/C=C/[C@@]2(C)C=CC(=O)O2)c(OC)c1 96921241 LBCYSAYJDUYICJ-YERXGYGTSA-N 290.315 2.597 0 1 CFAF CC(=O)CC[C@@H]1CC(=O)[C@@H](C)CCC(=O)OC1(C)C 238786648 OWFVOAAGKLGICH-CMPLNLGQSA-N 268.353 2.683 0 1 CFAF CC(=O)[C@]12C[C@@H]3CCN(C(=O)N[C@H]1c1ccccc1)[C@]32C 254014883 AQFFNFBQPXGTIM-XJNFMUPTSA-N 284.359 2.511 0 1 CFAF N=c1[nH]ccc2nc(-c3coc4cc(F)ccc34)[nH]c12 587174584 LJBWJKMJTSITJY-UHFFFAOYSA-N 268.251 2.923 0 1 CFAF COc1ncc(F)cc1-c1nc2c(Cl)nccc2[nH]1 587175453 DOWUGYNGGMGQHJ-UHFFFAOYSA-N 278.674 2.821 0 1 CFAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3ccncc3[nH]2)cc1 587785932 PSDNFRJBYZCOOG-OLZOCXBDSA-N 293.326 2.901 0 1 CFAF Cc1cc2c(O)nc(O)nc2nc1C1CCCCC1 587562335 XALSRBLBWVEFLK-UHFFFAOYSA-N 259.309 2.792 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cn1ccc(C)n1)O2 587391077 KKOLMCGGYIFZGH-INIZCTEOSA-N 285.347 2.506 0 1 CFAF CCOC(=O)c1ccc2nc(C3CCC(N)CC3)[nH]c2c1 587256300 FBRGESUKIVNXAK-UHFFFAOYSA-N 287.363 2.725 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccnc(C)c1)[C@@H](C2)C3=O 587437297 ZFTNGDGPNUUJPZ-SUMWQHHRSA-N 281.311 2.887 0 1 CFAF CC(C)(C)c1ccc2nc(-c3c[nH]ccc3=N)[nH]c2n1 587249214 JMRZNIJFPVHEBG-UHFFFAOYSA-N 267.336 2.730 0 1 CFAF Oc1ncnc2[nH]c(-c3cc4ccccc4c(Cl)n3)nc12 587085836 KGFLHWWRNIMMEM-UHFFFAOYSA-N 297.705 2.927 0 1 CFAF COCc1cc(CCc2nc3ccccc3o2)c(=O)[nH]c1C 5891318 VBVSFIQZDYOTQA-UHFFFAOYSA-N 298.342 2.756 0 1 CFAF c1ccc(-c2nnc([C@H]3CC(c4ccncc4)=NO3)o2)cc1 12726770 QRBNIPXWAZBCKK-CQSZACIVSA-N 292.298 2.997 0 3 CFAF C[C@H](NC(=O)N(C)O)c1cc2ccccc2s1 13762797 KCFWLECYMSLCCC-QMMMGPOBSA-N 250.323 2.993 0 1 CFAF Cc1coc2cc3c(cc12)C(=O)O[C@@H]([C@H](C)O)C=C3 15148250 AXXZXNFRMSHHDP-TVQRCGJNSA-N 258.273 2.674 0 1 CFAF biogenic,in-vitro CC[C@@H](C)CNC(=O)c1cn([C@H](C)c2ccccc2)nn1 203475683 QDCUPKYRXRJDST-CHWSQXEVSA-N 286.379 2.663 0 3 CFAF C/C1=C/CC(=O)[C@@H](C)C[C@@H]2OC(=O)[C@H](C)[C@@H]2CC1 100780332 KLZWSNKEPLKAOS-NBZCGGIWSA-N 250.338 2.890 0 1 CFAF endogenous,in-man O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)N2)c1cc2ccccc2[nH]1 103234866 JTIOAVUBNSKIPD-ITGUQSILSA-N 270.332 2.608 0 1 CFAF O=C1N=C(O)/C(=C/c2cccc(-c3cccs3)n2)N1 64548847 MXKIQEUISZREHV-YFHOEESVSA-N 271.301 2.831 0 1 CFAF CCCCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@@H]1CN 29127616 XAFDYZFDMXIOPG-NVXWUHKLSA-N 274.408 2.552 0 1 CFAF CCOC(=O)c1cnc2c(CC)cnn2c1SCC 26478656 VKDSPXBQRKWCDR-UHFFFAOYSA-N 279.365 2.580 0 1 CFAF CCCc1nc(C)c2c(N(C)C)nc3ccc(OC)nc3n12 49115326 SLKDUSRQPIAILN-UHFFFAOYSA-N 299.378 2.613 0 1 CFAF CC(C)Oc1ccc2c(c1)O[C@H]([C@@H]1CCCN1C)CO2 73163180 YMKSAMPNMKRBTL-BBRMVZONSA-N 277.364 2.708 0 1 CFAF CN1Cc2ccccc2[C@]2(COc3ccccc3C2=O)C1 31829622 DSERXCVQUPWLBX-GOSISDBHSA-N 279.339 2.645 0 1 CFAF Cc1ccc2[nH]c3nc(N)nc(N4CCCCC4)c3c2c1 221384424 ZXXRKZZPMUHCNR-UHFFFAOYSA-N 281.363 2.992 0 1 CFAF COC(=O)C1=C[C@@H]2[C@@H]([C@@H](C)CO)CC[C@@H](C)[C@H]2CC1 146238454 CFSREXCFEGBBPB-BJBXXJATSA-N 266.381 2.787 0 1 CFAF COc1cccc(Nc2nc3c(O)nc(C)nc3s2)c1 299861118 KKQRKKPHRYDCML-UHFFFAOYSA-N 288.332 2.853 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccncc1)O2 587395626 SRGRRFLSPLEQDB-MRXNPFEDSA-N 268.316 2.853 0 1 CFAF CCc1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587393446 GNJWOHUYMLTUCJ-AWEZNQCLSA-N 283.331 2.636 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(C)nc1C)O2 587393591 IZSYBTWMVWTZEX-OAHLLOKOSA-N 283.331 2.691 0 1 CFAF N=c1nc2nc(-c3ccc(Cl)cc3)[nH]c2c(Cl)[nH]1 587070081 PQMOQTXAMGRIIH-UHFFFAOYSA-N 280.118 2.739 0 1 CFAF COc1cncc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c12 587090758 XFQPDNCKQIFHOC-QMMMGPOBSA-N 283.612 2.890 0 1 CFAF O=C(/C=C/c1nc2nc(Cl)c[nH]c-2n1)Nc1ccccc1 587243179 COPXVDDPIHFOIP-VOTSOKGWSA-N 299.721 2.610 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(Cc3ccccc31)O2 587409825 WUNHDLLYLIQVEE-QGZVFWFLSA-N 265.312 2.994 0 1 CFAF CCOC(=O)Cc1ccc2c(c1)OCc1ccccc1C2=O 169340372 ITCNGBNHRRXPQS-UHFFFAOYSA-N 296.322 2.916 0 1 CFAF CCCC[C@@H]1Oc2c(ccc(OC)c2OC)C1=O 1857639745 DUTITORXHWGIPL-JTQLQIEISA-N 250.294 2.838 0 1 CFAF OC[C@@H]1CCCCN1Cc1nc2cc(Cl)ccc2[nH]1 5542852 GVGACXDUCLLTDE-NSHDSACASA-N 279.771 2.563 0 1 CFAF O=c1oc2ccccc2c2nc(-c3ccccc3F)nn12 13741673 AZKKPKZZZZZCOQ-UHFFFAOYSA-N 281.246 2.642 0 1 CFAF COc1cccc(COC(=O)c2c(O)cccc2OC)c1 14443746 DGYWXQIMCBTTQH-UHFFFAOYSA-N 288.299 2.766 0 1 CFAF biogenic CSc1nc(Cc2cccc(C)c2)c(C)c(=O)[nH]1 13742867 CATYGKYAPPFAPY-UHFFFAOYSA-N 260.362 2.699 0 1 CFAF CCN(CC)CCNc1ccnc2cc(O)ccc12 27179308 DEFVLPJLZQWZCS-UHFFFAOYSA-N 259.353 2.694 0 1 CFAF COc1ccc([C@H]2NCC[C@@]3(O)CCCC[C@H]23)c(OC)c1 4612911 HKAXPSOXPITRAT-OIISXLGYSA-N 291.391 2.660 0 1 CFAF Nc1nc(N)c2cc(/C=C/c3ccccc3)ccc2n1 58540758 QJACNYODQYNYRG-VOTSOKGWSA-N 262.316 2.965 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2ccc(F)c(C)c2)C[C@@H]2CC[C@H]1N2C 26725227 JWQGRCSMNJKNOQ-SJXGUFTOSA-N 291.366 2.873 0 1 CFAF COC=C(C(=O)OC)C(=CC=Cc1ccccc1)OC 2356677879 YHLNHRAUSCLINH-UHFFFAOYSA-N 274.316 2.933 0 1 CFAF CCOCCOC(=O)C(C)(C(F)(F)F)C(F)(F)F 3124598 XXEZZXFUJCSEKQ-UHFFFAOYSA-N 282.180 2.697 0 1 CFAF biogenic O=C(CCCCCc1ccncc1)NC1CCC(O)CC1 1911576207 BRBUISLLTKEHPI-UHFFFAOYSA-N 290.407 2.604 0 1 CFAF Cn1cc(-c2ccnc(CO)c2)c(-c2ccc(F)cc2)n1 96283192 HRZWHDGMDXCUTR-UHFFFAOYSA-N 283.306 2.781 0 1 CFAF COc1ccc(N(CCc2cccc(C)n2)C(C)=O)cc1 473168298 LHZSDCCVKQCGKA-UHFFFAOYSA-N 284.359 2.994 0 1 CFAF COc1ccc2[nH]c(-c3cc(Cl)c(OC)cn3)nc2n1 587065406 ZDTOGSHPNRVSEL-UHFFFAOYSA-N 290.710 2.691 0 1 CFAF Cc1cnc(Cl)c2[nH]c(C[C@H](C)CCC(=O)O)nc12 587961545 UPIRYBLZSNGSBE-SSDOTTSWSA-N 281.743 2.963 0 1 CFAF COc1cc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c2cn1 586907191 USFFCZPPTLULFJ-NTUHNPAUSA-N 293.282 2.635 0 1 CFAF COc1ccc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c2n1 587243449 DOFLBJLSCRXTQW-CMDGGOBGSA-N 294.314 2.618 0 1 CFAF O[C@@H](c1nc2ccc(Cl)cc2[nH]1)C1CCOCC1 586913151 ITFRHJAQCBROCS-GFCCVEGCSA-N 266.728 2.676 0 1 CFAF CC(C)c1c(-c2ncnn2C)[nH]c2c(C(=O)O)cccc12 587638941 KGAUJKYISUFDAE-UHFFFAOYSA-N 284.319 2.785 0 1 CFAF O=C1OC(=Cc2ccccc2)N(c2ccccc2)C1=O 17354671 PVSFTJWEPPTAHR-UHFFFAOYSA-N 265.268 2.575 0 1 CFAF Cc1cccnc1C[S@](=O)c1nc2cscc2[nH]1 13448562 KPJAGCXNZIJJSY-GOSISDBHSA-N 277.374 2.636 0 1 CFAF CCCSc1nsnc1O[C@H]1CN2CCC1CC2 13777558 BFCWFQDCHYZMHW-JTQLQIEISA-N 285.438 2.513 0 1 CFAF CCC[C@@H](O)CCCCCCC[C@@H](O)CC(=O)O 15117376 AVKYODWULTZQPQ-CHWSQXEVSA-N 260.374 2.714 0 1 CFAF CC(=O)NC[C@@H]1CCc2ccc3ccccc3c2O1 169333251 FNFMBPMAIIQWIZ-AWEZNQCLSA-N 255.317 2.670 0 1 CFAF COC(=O)/C(C)=C/[C@@H](C)C[C@H](C)C[C@@](C)(O)C[C@@H](C)O 169358057 IQQFJADQXWBZGX-UUTYWVADSA-N 286.412 2.680 0 1 CFAF CCOc1c(OC)cc(CCN)cc1SCC 27301233 LIOWJFZFWZIZBL-UHFFFAOYSA-N 255.383 2.707 0 1 CFAF COc1ccc(CCc2ccccc2)cc1CCN 13864197 NTQGKJUBSQNIKA-UHFFFAOYSA-N 255.361 2.982 0 1 CFAF Nc1c(CCO)cccc1[C@@H](O)c1ccc(Cl)cc1 26398740 RNNKRPICXJIOPQ-HNNXBMFYSA-N 277.751 2.539 0 1 CFAF CC(=C[C@@H]1CC2=C(CO)CC[C@H]2[C@H](C)C1)C(=O)O 2356402062 XMIPXRBROKIJSG-XWIASGKRSA-N 250.338 2.762 0 1 CFAF C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 100035297 MCBPNFWHHNJTGN-LLVKDONJSA-N 293.326 2.594 0 1 CFAF in-vivo COc1cc2c(cc1O)CC[C@H](C(=O)Nc1ccccc1)O2 28473562 JXCMRGWJFGLXJJ-CQSZACIVSA-N 299.326 2.733 0 1 CFAF COc1ccc([C@@H](CN(C)N)OCc2ccccc2)cc1 64479807 YQZYSFCBZSKMDG-QGZVFWFLSA-N 286.375 2.759 0 1 CFAF O=C1NC[C@@H](c2ccccc2)N1c1ccc2[nH]cnc2c1 116195388 GMRKJTXUXSMGDK-HNNXBMFYSA-N 278.315 2.834 0 1 CFAF CC(C)Cc1ccc([C@@H](C)C(=O)OCN2CCC2=O)cc1 26010766 FVVJXRZSFUWHSL-CYBMUJFWSA-N 289.375 2.722 0 1 CFAF CC(C)=CCc1cccc2c1OC(C)(C)[C@@H](O)C2=O 2356718699 DIBXOBBIICUONB-HNNXBMFYSA-N 260.333 2.910 0 1 CFAF CCCCCn1c(N2CCN(C)CC2)nc2ccccc21 38142553 SYXJCESSJGJJQT-UHFFFAOYSA-N 286.423 2.978 0 1 CFAF c1ccc(C[C@H]2CNCCN2c2ccc3[nH]ncc3c2)cc1 43194158 BLEJWKMRQPRJHY-KRWDZBQOSA-N 292.386 2.584 0 1 CFAF Clc1cc(-c2n[nH]c(-c3ccncc3)n2)ccn1 49054107 HNDCPEUYYCSOHT-UHFFFAOYSA-N 257.684 2.582 0 1 CFAF COc1cc(C[C@H](C)[C@H](C)CO)cc(OC)c1OC 198857155 LZIHJBFPJJTCCX-WDEREUQCSA-N 268.353 2.519 0 1 CFAF Cc1ccccc1-c1nnc2ccc(-n3cccc3)nn12 82060494 MDGABJNDVMAODL-UHFFFAOYSA-N 275.315 2.890 0 1 CFAF Cc1cc(C)nc(Nc2ccc([C@@H]3CCNC3)cc2)n1 149947186 SVHDGVHSKWSPJW-CQSZACIVSA-N 268.364 2.914 0 1 CFAF C[C@@]12CC[C@H]3c4ccc(O)cc4C[C@@H](O)[C@@H]3[C@@H]1CC[C@@H]2O 144105323 CQPNIWHVQNCXHA-MCEUPANISA-N 288.387 2.580 0 1 CFAF C[C@]12CC[C@@H]3[C@H]4CC[C@H](O)C[C@@H]4C[C@H](O)[C@H]3[C@H]1CCC2=O 255239133 MWTVKHPOHVKKET-JRQGFAHGSA-N 292.419 2.540 0 1 CFAF Cc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)O)c1 252628045 SGZYQAYFUHQODN-RWHKXBQASA-N 297.354 2.702 0 3 CFAF CNc1c(F)cccc1-c1nc2ccc(CCO)cc2[nH]1 587135428 ADCINBZXDBWVEF-UHFFFAOYSA-N 285.322 2.946 0 1 CFAF Cc1ccc(/C=C/c2nc3ncc[nH]c-3n2)cc1F 587146501 NYJOTXKYHQZWHY-SNAWJCMRSA-N 254.268 2.922 0 1 CFAF COc1cc2c3c(c1)O[C@@H](CC[C@H]1CCOC1)[C@@H](C2)C3=O 587453368 OAUPRDLGPKRLRU-GDLCADMTSA-N 288.343 2.628 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC=Cn3ccnc31)O2 587394642 XMUMHRDVELCWPY-INIZCTEOSA-N 281.315 2.509 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H]([C@H](C)COC)CC2=O 587479563 ISCZESGGQBMCKQ-MEBBXXQBSA-N 278.348 2.961 0 1 CFAF Cc1cccc(OCc2nc3ccc(C(N)=O)cc3[nH]2)c1C 587563292 BGUXSADRGPBCDT-UHFFFAOYSA-N 295.342 2.858 0 1 CFAF COc1cccc(CCCCCC(=O)N2CCOC2=O)c1 1857762574 PLGPLBJDASISSM-UHFFFAOYSA-N 291.347 2.777 0 1 CFAF O=C(O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2OCC[C@H]12 169357224 IDLFKXPQOUGXNN-GGVZMXCHSA-N 287.237 2.662 0 1 CFAF Cc1nc(S)n(Nc2cccc(Cl)c2)c1C(=O)O 3641486 BYWDCXWVXKTTNG-UHFFFAOYSA-N 283.740 2.707 0 1 CFAF C[C@H](O)[C@H]1C[C@@H]2C[C@H]3c4[nH]c5ccccc5c4CCN(C2)[C@@H]13 34630360 TVPHSOXWTLOHCG-FCCGEIHDSA-N 296.414 2.899 0 1 CFAF Cc1cccc(CCc2cc(=O)oc3cc(O)ccc23)n1 45337072 LDCRVNBWINORDP-UHFFFAOYSA-N 281.311 2.987 0 1 CFAF CCc1c(C)[nH]c(=O)c(C(=O)O)c1OC1CCCCC1 40976419 CWJFBFGUYYDGGD-UHFFFAOYSA-N 279.336 2.655 0 1 CFAF CCN(CC)[C@@H](C)C(=O)Nc1nsc2ccccc12 40406172 PDKDLWOIDHJPCP-JTQLQIEISA-N 277.393 2.965 0 1 CFAF FC1(F)CN(Cc2cccc3c2CC[C@H]3c2ncc[nH]2)C1 40980569 NRUIPECSHDXYIS-CQSZACIVSA-N 289.329 2.939 0 1 CFAF COn1ccc2c(c1=O)[C@@H]1[C@@H](C)C[C@@H](C)C[C@@]1(C)[C@H](C)O2 142214945 DPARKPYITVXEDI-BYUDVDJISA-N 291.391 2.844 0 1 CFAF Cc1coc2c1C[C@@]1(C)[C@H](CC[C@H](O)[C@@H]1C)[C@H]2O 238782705 UPDJETDLPZIBJI-PLNRXTSHSA-N 250.338 2.591 0 1 CFAF CN1[C@H]2CC[C@H]1[C@H](/C=C/CO)[C@@H](c1ccccc1)C2 261076627 BAROFIYZXNPKFU-MKCGDELISA-N 257.377 2.801 0 1 CFAF COc1cc(C)c(N)c(-c2nc3c(C)ccnc3[nH]2)c1 587248477 AIVIJVMZUYEPIQ-UHFFFAOYSA-N 268.320 2.833 0 1 CFAF CC(C)Cc1cc2c(O)nc(O)nc2nc1-c1ccoc1 587560324 FXJKVENOBNNNPN-UHFFFAOYSA-N 285.303 2.895 0 1 CFAF COC(OC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587524454 QRNIYPOMQODNJH-QGZVFWFLSA-N 290.359 2.908 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccn(C)c1)[C@@H](C2)C3=O 587431062 MDTJBBFUVPMWSJ-BLLLJJGKSA-N 269.300 2.522 0 1 CFAF Cc1c(C)c2c(c(C)c1NS(C)(=O)=O)CC(C)(C)O2 13652150 BWKNRQAKKXJOBF-UHFFFAOYSA-N 283.393 2.697 0 1 CFAF C[C@@H](c1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 169300935 SZNBRPRZLSIWNS-VHFQQZSBSA-N 293.366 2.801 0 1 CFAF CC[C@H](C)c1nc(C2=CCCN(C)C2)oc1OC 12768 ZNFPRRDTUVRWMT-JTQLQIEISA-N 250.342 2.916 0 1 CFAF CCC[C@@H](O)C[C@@H]1CCC[C@H](C[C@@H](O)CC)N1C 6010202 BXDMRIPPLXNONS-CBBWQLFWSA-N 257.418 2.551 0 1 CFAF Cn1cc(-c2cn3c(-c4ccccc4)cnc3cn2)cn1 53294804 BXHYHKZWDHYWJI-UHFFFAOYSA-N 275.315 2.797 0 1 CFAF Cc1nc(NCc2ccc(F)cc2)nc(C(F)(F)F)n1 103283017 QLVALNKMYNSIER-UHFFFAOYSA-N 286.232 2.950 0 1 CFAF C[C@@H](CC1CCCCC1)OC(=O)[C@H](C)N(C)C#N 28472037 NITPHAADQHSKKD-RYUDHWBXSA-N 252.358 2.690 0 1 CFAF c1ccc(-c2cn3c(-c4cn[nH]c4)cnc3cn2)cc1 53298875 SSEDJHRXYXJCIV-UHFFFAOYSA-N 261.288 2.786 0 1 CFAF O=C1NN=C(c2ccc(Cl)cc2)[C@H]1Oc1ccccc1 101879897 QYYHJSDRBRPOLK-CQSZACIVSA-N 286.718 2.622 0 1 CFAF Cc1ccc(CN2C(=O)CC[C@H]2C(=O)OC(C)(C)C)cc1 28708751 HCEVVVLZEYQDST-AWEZNQCLSA-N 289.375 2.828 0 1 CFAF CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(F)c(Cl)c1 117253047 DFQRFSSNQKFSBJ-IUCAKERBSA-N 286.734 2.740 0 1 CFAF CCOC(=O)[C@H]1CC[C@@H]2c3ccc(OC)cc3CCN2C1 1682652 GVIQKSWGRJBTDB-XJKSGUPXSA-N 289.375 2.568 0 1 CFAF biogenic c1cc(Nc2ccc3ncc(-c4ccncc4)n3n2)ccn1 34894104 LIXUOPIKLSGXLR-UHFFFAOYSA-N 288.314 2.930 0 1 CFAF Nc1nc(COC(=O)c2c(F)cccc2Cl)cs1 73200184 TXEHPVWGCWTQAS-UHFFFAOYSA-N 286.715 2.875 0 1 CFAF CCCCOC(=O)C[C@@H]1CC(c2ccc(O)cc2)=NO1 34633597 DZAWJANOIFAQBD-ZDUSSCGKSA-N 277.320 2.619 0 1 CFAF O=C1O/C(=C\CCO)C=C1c1ccc(Br)cc1 45366787 NBHVOYGXDNOXKD-FUQNDXKWSA-N 295.132 2.656 0 1 CFAF CCCCCNC(=O)c1nc(-c2ccccc2)cnc1N 473102939 LXLJKXIQUPWMRK-UHFFFAOYSA-N 284.363 2.646 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccnc(OC)c1)[C@@H](C2)C3=O 587436262 OZXQISYGLBOQHN-YVEFUNNKSA-N 297.310 2.588 0 1 CFAF O=[S@](Cc1nc2cccc(Cl)c2[nH]1)CC1CC1 586959309 MUXKLUGRXYPTBX-KRWDZBQOSA-N 268.769 2.875 0 1 CFAF CCn1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 587433427 XXYXLHQIOHHROX-PXAZEXFGSA-N 298.342 2.709 0 1 CFAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cccnc2[nH]1 587071238 XTOKTQNWCHMHKV-LLVKDONJSA-N 286.766 2.896 0 1 CFAF COc1c(F)ccc(-c2nc3ccccc3[nH]2)c1N 587133600 VMVLHLMGLZZHEF-UHFFFAOYSA-N 257.268 2.960 0 1 CFAF COc1cc(O)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587399831 MPUKBZOCIKLOJY-MRXNPFEDSA-N 299.326 2.998 0 1 CFAF CCc1ccc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2c1 587249310 GLIGJEXBXDZVLY-UHFFFAOYSA-N 295.342 2.997 0 1 CFAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccncn1 587871299 FHFCPDLITHSUTL-UHFFFAOYSA-N 284.294 2.867 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccccc1N)[C@@H](C2)C3=O 587433291 QDAANMKIOFUSRI-SJCJKPOMSA-N 281.311 2.766 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C[C@@H]1CCCCN1)O2 587398476 DEJCGCXYIXNTON-YVEFUNNKSA-N 288.391 2.833 0 1 CFAF COc1ccc(-c2nc3ccc(C)nc3[nH]2)c(Cl)n1 587083665 FLJMVXCTZIFACA-UHFFFAOYSA-N 274.711 2.990 0 1 CFAF C=Cn1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C 587391998 QBDPBFNQTCNCSG-OAHLLOKOSA-N 283.331 2.889 0 1 CFAF CC(C)c1cc2c(s1)N/C(=C\SCCN)NC2=O 958059126 IKDSMRKELOGBSD-POHAHGRESA-N 283.422 2.518 0 1 CFAF Cc1ccnc2c1CCN[C@]2(C)c1cc(O)ccc1F 963068690 CJSQREQSIGWFBF-MRXNPFEDSA-N 272.323 2.644 0 1 CFAF COC(=O)CC=C1c2ccc(OC)cc2[C@@H](OC)[C@H]1C 1857623458 LEYPXOBPYVCVHC-QFYYESIMSA-N 276.332 2.979 0 1 CFAF CC[C@@H](C)SC(=S)NCCCC[S@@](C)=O 1857653396 YTMCRIOERFBKDH-RFAUZJTJSA-N 267.485 2.551 0 1 CFAF CC(C)[C@@H](O)[C@@H](O)C[C@@H](C)CCC(=O)c1ccoc1 5442660 PRLJTIPWGNRUNG-TUKIKUTGSA-N 268.353 2.647 0 1 CFAF endogenous,in-man COc1cccc(-c2cc(=O)c3cc(C)cnc3[nH]2)c1 5503959 KEHHYURJHUIQKN-UHFFFAOYSA-N 266.300 2.907 0 1 CFAF CCCc1cc2c3c(N)nc(N)nc3ccc2n1CC 5839193 KILCZWIPJDHLKS-UHFFFAOYSA-N 269.352 2.721 0 1 CFAF O=Cc1c(O)ccc2c1Oc1ccc(O)c(C=O)c1O2 13484725 XPZNMYLVGWWNHV-UHFFFAOYSA-N 272.212 2.621 0 1 CFAF CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)C3=O 13806905 ZVOANBRCVCBCDV-CQSZACIVSA-N 261.324 2.983 0 1 CFAF O=C(Nc1cccc(O)c1)c1coc2ccccc2c1=O 1857610916 RGDKKXUMDRLXAG-UHFFFAOYSA-N 281.267 2.751 0 1 CFAF COc1cccc(OC)c1-c1nc2cc[nH]cc-2n1 100963828 GGEAWWYLENPIGJ-UHFFFAOYSA-N 255.277 2.594 0 1 CFAF O=c1[nH]c2ccccc2n1-c1nc2ccc(F)c(F)c2o1 26655680 BYEKIJACVDAPTD-UHFFFAOYSA-N 287.225 2.738 0 1 CFAF CC[C@@]12CC[C@H]3[C@H](C)CC[C@@H]4CC(=O)O[C@H](O1)[C@]34O2 100863191 QNOOEARUAZQAMK-MJMJJYSYSA-N 266.337 2.607 0 1 CFAF COc1cc(C)c(OC)c2c1C[C@H](C[C@H](C)N)CC2 27993105 QDYKNBNSVBXQTD-RYUDHWBXSA-N 263.381 2.854 0 1 CFAF O=C1CN(C2CCCC2)C(=O)c2ccccc2S1 27867350 RTGJXGFVEKGEKC-UHFFFAOYSA-N 261.346 2.704 0 1 CFAF C[C@@H]1CC[C@]2(OCC=C2C(=O)O)[C@H]2[C@H]1CC[C@H]2C 2356861888 UUUOAZAVWQGTNN-IMTAKKMFSA-N 250.338 2.859 0 1 CFAF c1nc(CCCn2cc(CC3CCCCC3)nn2)c[nH]1 66111608 WNDPQJQMFPORJY-UHFFFAOYSA-N 273.384 2.757 0 1 CFAF c1cc2c(c(OCCCN3CCCCC3)c1)CNCC2 36188046 PXQCAXZFWWDUAL-UHFFFAOYSA-N 274.408 2.587 0 1 CFAF CCc1nn(C2CCCC2)c2c1CCn1c(CC)nnc1-2 35091004 CZLHPSQRTUNKHJ-UHFFFAOYSA-N 285.395 2.938 0 1 CFAF Cc1ccc([C@@H]2CC(c3ccco3)=NN2C(N)=S)cc1 49033432 WQBRYKLGUOWZLE-ZDUSSCGKSA-N 285.372 2.983 0 1 CFAF CCCCOCCCNC(=O)c1csc(CC)n1 82088143 DYFADFLBAYZTJJ-UHFFFAOYSA-N 270.398 2.642 0 1 CFAF O=c1c2ccc(Cl)cc2nc2n1-c1ccccc1OC2 45355811 FVEARHDNTQDZFW-UHFFFAOYSA-N 284.702 2.932 0 1 CFAF N[C@@H](C(=O)NCc1ccccc1)c1cc2ccccc2o1 84710924 FIJMAWRDHMXRPT-MRXNPFEDSA-N 280.327 2.749 0 1 CFAF COc1cc(COCc2ccc(O)cc2)ccc1O 238746099 XSDIEJPWKBGCCK-UHFFFAOYSA-N 260.289 2.823 0 1 CFAF Nc1nc2c(-c3cnc4ccccc4c3)nccc2[nH]1 95580529 IEJOMJUTRBOWNE-UHFFFAOYSA-N 261.288 2.755 0 1 CFAF Cc1sc2nc(-c3cc(O)cc(O)c3)[nH]c(=O)c2c1C 96907914 QQCAEWWTDZDASF-UHFFFAOYSA-N 288.328 2.680 0 1 CFAF OC1=C2C(=NC(=S)N[C@@H]2c2cccc(O)c2)CCC1 617971637 DLLYKSCSVFKKGO-CYBMUJFWSA-N 274.345 2.758 0 1 CFAF Nc1cc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2cc1N 586899031 RFLCCNDYSVXYBY-UHFFFAOYSA-N 280.331 2.513 0 1 CFAF CCCOc1cccc(Cc2nc3cc(=N)[nH]cc3[nH]2)c1 587779282 XTJPZZRFQJUERE-UHFFFAOYSA-N 282.347 2.750 0 1 CFAF COCc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 587393607 JIKKLWKVOBOKQC-INIZCTEOSA-N 298.342 2.825 0 1 CFAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cncnc2[nH]1 587932488 PAGMJLKGZYCNEL-BZNIZROVSA-N 280.331 2.807 0 1 CFAF Cc1ccnc2[nH]c(/C=C3/OC(=O)c4ccccc43)nc12 586908088 YSWRRYYGOUYVTL-XYOKQWHBSA-N 277.283 2.935 0 1 CFAF COc1cccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1O 587785639 DUFMOBZLDKYZPT-AWEZNQCLSA-N 298.302 2.668 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(COC(C)C)O2 587398406 CODMQBHUKACYGT-HNNXBMFYSA-N 263.337 2.726 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(CCCSC1)[C@@H](C2)C3=O 587449330 ABYKKHKUHTZMSF-XHDPSFHLSA-N 276.357 2.708 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C)nc1)O2 587394645 XQMYWPWEUCIVIX-OAHLLOKOSA-N 268.316 2.987 0 1 CFAF Cc1nn(C)cc1-c1[nH]c2c(C(=O)O)cccc2c1C 587638848 WNLDYNWGWUYKAX-UHFFFAOYSA-N 269.304 2.883 0 1 CFAF CC(=O)NC1=NN(c2ccc(Cl)c(Cl)c2)C[C@@H]1C 1857543461 QTCFKQLUDHRFHP-ZETCQYMHSA-N 286.162 2.899 0 1 CFAF N#CN1CC[C@H](NC(=O)Nc2ccc(Cl)cc2Cl)C1 1857616620 PKXOQIGWZSOFLZ-VIFPVBQESA-N 299.161 2.670 0 1 CFAF O=c1[nH]c2ccccc2c2c(O)n(Cc3ccccc3)nc12 13741782 FBMIXOCGJBEGNT-UHFFFAOYSA-N 291.310 2.632 0 1 CFAF CCCCCCNC(=S)NCc1ccc2c(c1)OCO2 7570413 IKBHNADYMMDTRR-UHFFFAOYSA-N 294.420 2.960 0 1 CFAF CCN(CC)C(=S)N1CCC(c2ccccc2)=N1 103186264 DRIALKNBTQYYSH-UHFFFAOYSA-N 261.394 2.723 0 1 CFAF COc1ccc2nc3c(O)n(Cc4ccco4)cnc-3c2c1 101906307 IWPLUNMKXIYMTJ-UHFFFAOYSA-N 295.298 2.892 0 1 CFAF O=C(Nc1ccc([C@H]2CCNC2)cc1)N1CCCCC1 117720934 ASAQMEBUNMNALF-AWEZNQCLSA-N 273.380 2.781 0 1 CFAF Cc1ccc2c(c1)N1C(=O)OC[C@H]1CCN(C(C)C)C2 2356426029 WUXSRLIUHBFSOE-CQSZACIVSA-N 274.364 2.934 0 1 CFAF Cc1ccc2ccccc2c1O[C@@H](C)C1=NCCN1 27707147 SSDDZMWNJVSQDE-LBPRGKRZSA-N 254.333 2.917 0 1 CFAF Cc1ccc(-c2cn([C@@H]3CCCCC3=O)nn2)cc1 66058910 GYLRZQXVSISSMM-CQSZACIVSA-N 255.321 2.938 0 1 CFAF CN1C[C@H]2CCN(c3ccc(Br)cc3)[C@H]2C1 62178493 JQFMTRCQEFPEMJ-MFKMUULPSA-N 281.197 2.589 0 1 CFAF CO[C@H](C=C(C)C1CCC(C)(NC=O)CC1)[C@H](O)C(C)C 2356801728 RRLYPTHPAZTQAZ-JCCCHCCOSA-N 297.439 2.660 0 1 CFAF CCC1(CC)Oc2ccc3ccc(=O)oc3c2C[C@H]1O 2356810908 BCOLIVGPBZTFAR-CYBMUJFWSA-N 274.316 2.648 0 1 CFAF NC(=O)c1cnc(NC2CCC2)c2c1[nH]c1ccc(F)cc12 72125835 PFWJELRTDOUPFN-UHFFFAOYSA-N 298.321 2.919 0 1 CFAF COc1cc(O)c(/C=C\C(=O)O)cc1[C@@H](O)CC(C)C 43069883 KXEZMFMTEVLUPQ-ZFDPJTLLSA-N 280.320 2.578 0 1 CFAF in-vitro CNc1nc2c(nc(-c3ccccc3)n2C)c2c1ncn2C 40956962 FUTLJNOGKQFKCL-UHFFFAOYSA-N 292.346 2.564 0 1 CFAF C[C@@H](C1CCCCC1)n1nnc2c(N)nc(C3CC3)nc21 84904594 KOZQQSVTCFPIOX-VIFPVBQESA-N 286.383 2.822 0 1 CFAF CC(C)n1nc(CCc2ccc(F)cc2)c2c(N)ncnc21 84687775 VZMDLWRVNGZZOW-UHFFFAOYSA-N 299.353 2.914 0 1 CFAF N=c1[nH]ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586893876 ZBHSDAVBMVKLRJ-ZGNZKYAMSA-N 268.364 2.838 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCCC[C@@H]1O)O2 587405243 VCYKLWQYJJQGHL-RDJZCZTQSA-N 289.375 2.996 0 1 CFAF O[C@@H]1C[C@H](c2nc3cc(F)cnc3[nH]2)c2ccccc21 586903062 NFSYVGXYXNYTGZ-WCQYABFASA-N 269.279 2.666 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nccn1C(F)F)O2 587381918 IRRGWORJNFVHHJ-NSHDSACASA-N 293.273 2.875 0 1 CFAF Nc1cccc(-c2nc3ccc(Cl)nc3[nH]2)c1C(=O)O 587248316 MOMPWHKLYPSNRY-UHFFFAOYSA-N 288.694 2.559 0 1 CFAF Oc1nc(O)c2ccc(Cc3ccccc3Cl)nc2n1 587368563 LTVGNLYTSPEBIT-UHFFFAOYSA-N 287.706 2.680 0 1 CFAF Nc1cc(C(=O)O)cc(-c2nc3cc(Cl)ncc3[nH]2)c1 587248722 CLJYJINOCGFKJE-UHFFFAOYSA-N 288.694 2.559 0 1 CFAF CCNc1nc(-c2ccncc2)nc2cnccc12 1857549560 GQGWDQHPZWUVSN-UHFFFAOYSA-N 251.293 2.519 0 1 CFAF O=C(O)C(=Cc1ccccc1)NC(=O)c1ccccc1 1857576737 HHWCUKQKFIVCEZ-UHFFFAOYSA-N 267.284 2.542 0 1 CFAF COC(=O)/C(=C/c1ccc(C)cc1)CCCP(=O)(O)O 1857652340 AREQPCZWQGRZIU-JLHYYAGUSA-N 298.275 2.509 0 1 CFAF COCCc1c(C)cc2c(c1C)C(=O)C(C)(C)[C@H]2O 14682832 MPZFJPIKRMRQQM-AWEZNQCLSA-N 262.349 2.748 0 1 CFAF COC(=O)c1ccc(-c2cc(C=O)c(O)c(OC)c2)cc1 169699621 UHSKINGQYRKDLQ-UHFFFAOYSA-N 286.283 2.667 0 1 CFAF CN(c1ncc(-c2ccccc2)s1)[C@@H]1CCN(C#N)C1 1857545767 SINNBEWNTCHRPX-CYBMUJFWSA-N 284.388 2.802 0 1 CFAF CNC(=O)c1ccc2[nH]nc(Cc3cccc(C)c3)c2c1 584617759 JMTPOBLXKZZYCU-UHFFFAOYSA-N 279.343 2.822 0 1 CFAF COC1(OC)CC[C@]2(C)O[C@H]1[C@@H](c1ccccc1)O2 1617492 IWPNHSXUSSCPPK-RDBSUJKOSA-N 264.321 2.642 0 1 CFAF O=S1(=O)N=CN(Cc2cccc(F)c2)c2ccccc21 2693060 BGGSDGRUZZQZPR-UHFFFAOYSA-N 290.319 2.563 0 3 CFAF CCNC[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 6385316 LGHUXEXIXDGTKM-KRWDZBQOSA-N 295.382 2.898 0 1 CFAF c1cc(-c2nc3c4c(ncc3[nH]2)CCCCC4)no1 100773948 OYIMQBDMTOYKTM-UHFFFAOYSA-N 254.293 2.882 0 1 CFAF C/C1=C/C[C@@H](O)[C@@H](C)C[C@@H]2OC(=O)[C@@H](C)[C@H]2CC1 100780330 LAOQYXNUSDEVJK-KSVJTTDPSA-N 252.354 2.681 0 1 CFAF endogenous,in-man COC(=O)/C=C/[C@@H]1[C@@H](c2ccccc2)C[C@@H]2CC[C@H]1N2C 27990398 OMLSVYSQLRWXNO-IZRQHDTASA-N 285.387 2.982 0 1 CFAF CN(C)CCNC(=O)c1cc2c(cn1)sc1ccccc12 26838137 FMYYBGRNYMSMIH-UHFFFAOYSA-N 299.399 2.741 0 1 CFAF CCCCN1C(=O)CC[P@@]1(=O)c1ccccc1 27732268 CRMSFDBURYPXLD-QGZVFWFLSA-N 251.266 2.622 0 1 CFAF CC1=CCCC(CO)=CC[C@H]2[C@H](C)C(=O)O[C@@H]2C1 2356643118 ILIOGIMGVJEQEZ-FPMFFAJLSA-N 250.338 2.603 0 1 CFAF CO[C@@H](C=C[C@](C)(O)C1CCC(C)(NC=O)CC1)C(C)C 2356797919 OPPJMGISMDXIJV-XGHPGWEVSA-N 297.439 2.660 0 1 CFAF CC(=O)[C@]12C[C@@H]3CCN(C(=O)N[C@@H]1c1ccccc1)[C@@]32C 66124297 AQFFNFBQPXGTIM-HDEZJCGLSA-N 284.359 2.511 0 1 CFAF COc1ccccc1C[C@H](c1ccccc1)N1CCNCC1 36093207 PFTJCYRHNKTTTO-GOSISDBHSA-N 296.414 2.884 0 1 CFAF in-vivo CCCN1CCN2c3cccc4[nH]cc(c34)C[C@H]2C1 199510876 WDTMSPNCLRUYLZ-ZDUSSCGKSA-N 255.365 2.625 0 1 CFAF CCC[C@H](C)Nc1nc(N2CCCN(C)CC2)ncc1C 82201984 PBKFDRLXPMLZHP-AWEZNQCLSA-N 291.443 2.527 0 1 CFAF COc1cc2c(cc1OC)-c1c(-c3cnco3)ncn1CC2 84618999 QHSCQKJQHYEWNV-UHFFFAOYSA-N 297.314 2.778 0 1 CFAF Cc1cc(NCCN(C)C)n2nc(-c3ccccc3)cc2n1 621443151 UAOGBIDJVNMHRR-UHFFFAOYSA-N 295.390 2.678 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)nn1)O2 587383628 ZGHDQXBPAKNBPI-GFCCVEGCSA-N 289.722 2.727 0 1 CFAF c1coc(-c2nc(Cc3nc4cnncc4[nH]3)cs2)c1 587017613 NYBLBHWQNQNMBH-UHFFFAOYSA-N 283.316 2.660 0 1 CFAF Fc1cnc(Cl)c2[nH]c(CCOCC3CC3)nc12 587783365 PXUYUTOCTMMPCR-UHFFFAOYSA-N 269.707 2.720 0 1 CFAF Nc1cc(-c2nc3ccnc(Cl)c3[nH]2)ccc1F 587139753 UMNJZEUGWCVXPX-UHFFFAOYSA-N 262.675 3.000 0 1 CFAF COc1cc(C)ccc1OCc1nc2cnccc2[nH]1 587563723 HXGLPSLVPYFFFS-UHFFFAOYSA-N 269.304 2.854 0 1 CFAF CCCCn1ccc([C@@H]2NCCc3nc4ccccn4c32)n1 962985698 QWFRGISJKAEQRI-INIZCTEOSA-N 295.390 2.566 0 1 CFAF COc1c(O)cc(/C=C\c2cc(O)cc(O)c2)cc1O 15113755 BKJYMZRGLINXRP-IHWYPQMZSA-N 274.272 2.688 0 1 CFAF endogenous,in-man C[C@H]1CC[C@@H]2C(C)(C)C(=O)O[C@H]3O[C@]4(C)CC[C@@H]1[C@@]32O4 169364662 DETKYIOHRCKRIT-DQQGGNRISA-N 280.364 2.853 0 1 CFAF CN(C)CCNc1ccnc2c(-c3ccccc3F)cnn12 1857585847 RJOZEVLWTQPMBL-UHFFFAOYSA-N 299.353 2.509 0 1 CFAF N[C@@H](CCc1nc(-c2ccc(Cl)cc2)cs1)C(=O)O 1620335 NSQBRJKZQPANCA-JTQLQIEISA-N 296.779 2.808 0 1 CFAF C[C@@H](Sc1nncs1)C(=O)N[C@@H]1CCCC[C@H]1C 7735936 BOGLQABICGZLGB-OPRDCNLKSA-N 285.438 2.714 0 1 CFAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2 100741751 PRQICMQRAXJOCP-RFQIPJPRSA-N 279.767 2.737 0 1 CFAF CCc1ccc(CNC(=O)c2cc3ccccn3n2)cc1 8600155 VCOSGWFOYJFYCW-UHFFFAOYSA-N 279.343 2.827 0 1 CFAF NC[C@H]1CC[C@H](C(=O)c2ccc(CCC(=O)O)cc2)CC1 100373261 NVBZUCIQNYPGCI-OTVXOJSOSA-N 289.375 2.652 0 1 CFAF in-man COc1ccc2c(c1)[C@@]13CCN(C)[C@H](C2)[C@H]1[C@H](C)CC(=O)C3 100802318 FVZCKWRBLLZDHV-HDBZGKQISA-N 299.414 2.808 0 1 CFAF COC[C@]1(O)[C@@H](CO)[C@H]2CC[C@@]1(C)[C@]2(C)C1CCCC1 2356468871 TXHFBRWHXQLYEB-HMDCTGQHSA-N 282.424 2.599 0 1 CFAF C[C@H]1C[C@H](OC[C@@H](O)CNC(C)(C)C)CC(C)(C)C1 22215735 SYMRXAKJCMBHJY-IHRRRGAJSA-N 271.445 2.967 0 1 CFAF Cc1nc(NC(=O)c2ccccc2)c(C)c(C)c1O 221291904 DBIGAXICKPMYLL-UHFFFAOYSA-N 256.305 2.965 0 1 CFAF O=C1C=C(Cl)[C@](O)(c2ccccc2)N1Cc1ccccc1 224823734 PSAAJCUJOJAQJZ-QGZVFWFLSA-N 299.757 2.997 0 1 CFAF COc1ccc(-c2ccccc2OC)cc1OC1CNC1 96175876 LOWWCEBZQVXEGV-UHFFFAOYSA-N 285.343 2.721 0 1 CFAF CC[C@@H]1Cc2[nH]nc(O)c2[C@@H](c2ccc(F)cc2)O1 95599504 GDKXWFNCDWJHBN-ZWNOBZJWSA-N 262.284 2.695 0 3 CFAF C[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C(=O)CN1 299826818 ICZYBIODJDOWKF-QMMMGPOBSA-N 273.163 2.708 0 1 CFAF CCO[C@]1(c2ccccc2)SC=C(C)n2c1noc2=O 653899243 WDOSFJUFPBCYSV-CQSZACIVSA-N 290.344 2.639 0 1 CFAF CC[C@@H]1OCCC[C@H]1c1nc2ccc(CCO)cc2[nH]1 586908698 CQZHWGLTIFLNLP-DOMZBBRYSA-N 274.364 2.770 0 1 CFAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2c(F)cnc(Cl)c2[nH]1 587961467 GDZBSFOHFXCABN-BQBZGAKWSA-N 281.718 2.908 0 1 CFAF CC[C@@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586893239 WZENYGPBAVTSTJ-GLEZIHRCSA-N 271.320 2.797 0 1 CFAF COc1cncc2nc(-c3ccc(Cl)nc3F)[nH]c12 587178213 VIFCMQPFPPUPJE-UHFFFAOYSA-N 278.674 2.821 0 1 CFAF Nc1cnccc1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873967 QPQWJNJVDUZVIH-UHFFFAOYSA-N 296.261 2.461 0 1 CFAF N=c1cc2nc(CCc3cc4ccccc4o3)[nH]c2c[nH]1 586907081 JZZQOTVUBHPKMB-UHFFFAOYSA-N 278.315 2.902 0 1 CFAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cnncc2[nH]1 587928155 WZVZUYNWDBQESS-LLVKDONJSA-N 298.346 2.912 0 1 CFAF Cc1cc2c(cc1F)[C@@](C)(c1cc(C=O)n(C)c1)NCC2 962298563 MYKPWZNNKJSALO-QGZVFWFLSA-N 286.350 2.694 0 1 CFAF COC(=O)c1c(C)cc(OC)c2c1OC(C)(C)C=C2 14511325 MHBNYJMIFWFZDJ-UHFFFAOYSA-N 262.305 2.974 0 1 CFAF biogenic,in-vitro CN(Cc1cccc(-c2ccccc2Cl)c1)C(=O)CN 1772608453 WYUBFHPGAPQORH-UHFFFAOYSA-N 288.778 2.924 0 1 CFAF FC[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772638878 CYVURQMJJJKDDD-MGCOHNPYSA-N 273.315 2.849 0 1 CFAF CNS(=O)(=O)c1ccccc1-c1cccc(Cl)c1 1772607843 MKNPTZDIPUOAMD-UHFFFAOYSA-N 281.764 2.915 0 1 CFAF O=C(CCc1ccc2c(c1)OCO2)c1ccc(O)cc1O 13340343 PMMLPVXGYVACMU-UHFFFAOYSA-N 286.283 2.642 0 1 CFAF CCOC(=O)C[C@@]1(O)C(=O)c2ccccc2-c2ccccc21 13462270 LETAZYCBVRNMHS-SFHVURJKSA-N 296.322 2.691 0 1 CFAF biogenic,in-vitro CCO[P@](=O)(O)/C=C/c1ccc(O)c(OC)c1 13677804 MWXKNFJCNZTDPF-VOTSOKGWSA-N 258.210 2.593 0 1 CFAF CN1[C@H]2CC[C@@H]1[C@@H](/C=C/CO)[C@@H](c1ccccc1)C2 13739710 BAROFIYZXNPKFU-YVEYVZMESA-N 257.377 2.801 0 1 CFAF CC(C)Cc1nccc2nc3[nH]c(=O)sc3cc12 13741976 PQPZHYOBKICGIK-UHFFFAOYSA-N 259.334 2.731 0 1 CFAF CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)C[C@@H]2OC(=O)CC[C@@H]21 169317465 GCRYJVHQICNPTO-WYMBBJQOSA-N 296.407 2.577 0 1 CFAF CC(=O)c1ccc(-c2cc(C(C)=O)c3n(c2=O)CCC3)cc1 203460995 CIWVCPQLRQCHSQ-UHFFFAOYSA-N 295.338 2.867 0 3 CFAF CN1[C@@H]2CC[C@@H]1CC(OC(=O)CCOc1ccccc1)C2 102067026 QFMHIOIUYLQOCA-ZIAGYGMSSA-N 289.375 2.624 0 1 CFAF C[C@@H](C(=O)OC1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 29406757 ABQUDUAAINLKTQ-SLHHOWHOSA-N 273.376 2.959 0 1 CFAF CSc1ccc(CNC(=O)[C@@]2(C)CCCN2C)cc1 61928813 FKSLNQPHKRGQCP-OAHLLOKOSA-N 278.421 2.509 0 3 CFAF C[C@]12CCC[C@@]3(C)CCC[C@H]([C@H]13)[C@@](C)(CO)N2C=O 2356794732 ICOSESAQWODCNK-DGADGQDISA-N 265.397 2.575 0 1 CFAF CN(C=O)CC[C@@H](c1ccccc1)c1ccccn1 2356858258 SXXHPCVDFDABHW-HNNXBMFYSA-N 254.333 2.692 0 1 CFAF O=[P@]1(c2ccc(C(F)(F)F)cc2)NCCCO1 1911580762 AMCYJHYSRAQYGI-KRWDZBQOSA-N 265.171 2.534 0 1 CFAF Cc1cccc(-n2nccc2-c2ccnc(NC(N)=O)c2)c1 144510669 DHTMIJBVAFXTPJ-UHFFFAOYSA-N 293.330 2.733 0 1 CFAF OC1=C2C(=Nc3n[nH]c(O)c3[C@H]2c2ccco2)CCC1 299851560 VSYYMEQAISAWMK-NSHDSACASA-N 271.276 2.922 0 1 CFAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2c(O)ncnc2[nH]1 587933137 UIIXKFNPGJMLOD-HWPZZCPQSA-N 296.330 2.512 0 1 CFAF CCc1nccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587435399 FRVNKNPUGUTWLE-PIGZYNQJSA-N 296.326 2.536 0 1 CFAF C[C@@H]1OC=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587535697 NGYSTZDBFBGAMP-BBATYDOGSA-N 298.338 2.771 0 1 CFAF Nc1ccc2c3c1[C@]1(C=COc4ccc(F)cc41)N(CC3)C2 962959930 QRRMFNKHHCWYRD-GOSISDBHSA-N 294.329 2.929 0 1 CFAF CSc1nnc(CCCO)n1-c1cc(C)c(C)c(C)c1 1857579825 WLYAKMVSMAFGQO-UHFFFAOYSA-N 291.420 2.839 0 1 CFAF COc1ccc2c3ccnc(C)c3n(CC(=O)O)c2c1 1857600230 HXTOXOMXZYFKTA-UHFFFAOYSA-N 270.288 2.591 0 1 CFAF CCc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1 13151818 UJNWYPNAZVAHEA-UPUJQMMVSA-N 281.355 2.951 0 1 CFAF CN1CC=C(c2nnc(-c3cn(C)c4ccccc34)o2)CC1 13860869 IXZGJPLKUPEUEG-UHFFFAOYSA-N 294.358 2.947 0 1 CFAF COc1cc2c(cc1O)O[C@H]1c3ccc(O)cc3OC[C@@H]21 14820536 NYGZYUAVZPIKBZ-ZBEGNZNMSA-N 286.283 2.716 0 1 CFAF biogenic,in-vitro C[C@@H]1C(=O)CC[C@]2(C)CC[C@H]3[C@H](OC(=O)[C@@H]3C)[C@H]12 169298394 BXRGGUXPWTWACZ-BUWYDYTJSA-N 250.338 2.579 0 1 CFAF CC[C@H]1COC(/C(=C(\Cl)[C-](Cl)Cl)[N+](=O)[O-])=N1 169700562 SKUNSCJOQKMSBC-RTNQAQHFSA-N 286.522 2.888 0 1 CFAF CCOc1ccc2c(c1)c(C[C@H](C)N)c1n2CCC1 9307 QCPKALQXQKTTQB-NSHDSACASA-N 258.365 2.876 0 1 CFAF CC1=C2C(=O)O[C@H](c3ccoc3)[C@]2(C)CC[C@H]1CO 2356365324 JXFVXBAQROLVFV-PSOPSSQASA-N 262.305 2.603 0 1 CFAF O=C1OC(=Cc2ccc(O)cc2)c2cc(O)ccc21 2356328984 NUBHVIPBAZTUQY-UHFFFAOYSA-N 254.241 2.766 0 1 CFAF CCCC[C@H](O)c1cccc(NC(=O)NC(=O)CC)c1 53298379 FITXBCSXIVVTRD-ZDUSSCGKSA-N 278.352 2.968 0 1 CFAF O=S(=O)(CC(F)(F)F)c1nc2cc(Cl)ccc2[nH]1 27849296 BXIRVMLSMOXQKQ-UHFFFAOYSA-N 298.673 2.552 0 1 CFAF CC(C)N(c1ccccc1)S(=O)(=O)c1ccc(O)cc1 28570876 QYGYTGVIRJYHLA-UHFFFAOYSA-N 291.372 2.996 0 1 CFAF in-vivo CCOc1ccc(-c2nc(Cn3nc(N)cc3C)co2)cc1 72185958 ZPFPHEKCSIJSKK-UHFFFAOYSA-N 298.346 2.876 0 1 CFAF O=c1c(-c2ccccc2)c[nH]c2ccn3ccnc3c12 84635525 WBUBJLAENQZXJW-UHFFFAOYSA-N 261.284 2.843 0 1 CFAF NC1=N[C@@H](CCc2cc(Cl)cc(Cl)c2)CO1 149153104 MSBXXCBNILANEK-JTQLQIEISA-N 259.136 2.640 0 1 CFAF CC/C=C/C[C@@H](O)/C=C/C=C/[C@H]1CC[C@@H](O)[C@@H](C)N1C 238739219 SSXVPIUBXLMMTO-WBUJTVECSA-N 279.424 2.660 0 1 CFAF COc1ccc(-n2nnc(-c3ccc(N)cc3)c2C)cc1 299852127 NSWHIWCNGRWREV-UHFFFAOYSA-N 280.331 2.834 0 1 CFAF COc1ccc(-c2nc3cncc(C)c3[nH]2)c(Cl)n1 587084321 YICQBGRCKHYGIJ-UHFFFAOYSA-N 274.711 2.990 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncccc1C)O2 587394086 QKLWBHAYLVPCHS-CQSZACIVSA-N 268.316 2.987 0 1 CFAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cnccc4[nH]1)(C3)C2 587968875 HOPRAOJSUPJPHE-DNGWLPIJSA-N 267.332 2.605 0 1 CFAF Cc1nccc2[nH]c([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)nc12 587969331 MOHUGQIKSSTAQP-NVSAGUJYSA-N 281.359 2.913 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1cc(O)ccc1O)[C@@H](C2)C3=O 587449942 KMWSZAVDAGGOIP-YVEFUNNKSA-N 298.294 2.595 0 1 CFAF C=CC(=O)Nc1ccc(-c2nc3nc(Cl)ncc3[nH]2)cc1 587243248 AAQAXDXGDBXNHZ-UHFFFAOYSA-N 299.721 2.798 0 1 CFAF COc1ccc2nc(-c3ccc(F)c(OC)c3N)[nH]c2c1 587132446 BGCSHLFBCCYMLW-UHFFFAOYSA-N 287.294 2.968 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](c1cn[nH]c1)CC2=O 587481842 IDDWAVRABJTAKX-CQSZACIVSA-N 272.304 2.774 0 1 CFAF Fc1cccc2c(-c3nc4ncnc(Cl)c4[nH]3)n[nH]c12 587176165 GDLNHXQPTOPPLC-UHFFFAOYSA-N 288.673 2.689 0 1 CFAF O=C1C[C@]2(CC=COC2=O)Oc2c1ccc1c2CCCC1 587534500 DZVHUBGQCPHLPC-KRWDZBQOSA-N 284.311 2.730 0 1 CFAF C[C@@H](C(=O)O)n1c(O)cc2cc(Br)ccc21 957575448 ZPQWEQGLNHRUTR-LURJTMIESA-N 284.109 2.755 0 1 CFAF COC(=O)/C(C)=C/c1c[nH]c2ncnc(OCC(C)C)c12 1772607135 OUAQOOWAHVGVHU-BJMVGYQFSA-N 289.335 2.569 0 1 CFAF CC(=O)O/C=C(\C)[C@@H]1CC[C@H](C)[C@H]1COC(C)=O 13304930 UGSHXVXFFPLXBZ-YCIZVOMOSA-N 254.326 2.679 0 1 CFAF O=C1c2cc(O)ccc2[C@@H]2C[C@H]1c1ccc(O)cc1C2=O 13588100 YIXGODOYVHIXIJ-GJZGRUSLSA-N 280.279 2.748 0 1 CFAF c1ccc2c3c([nH]c2c1)-c1cc2nc[nH]c2c[n+]1CC3 14829041 LLBPFNXOKOROFE-UHFFFAOYSA-O 261.308 2.555 0 1 CFAF CCOc1cccc(-c2cnnc3c2ncn3CC)c1 1857592651 RTXDZPHCEREQJW-UHFFFAOYSA-N 268.320 2.912 0 1 CFAF CCC(=O)NCC[C@@H]1CCc2ccc3ocnc3c21 13491275 GQWFMEOWOGBUAC-NSHDSACASA-N 258.321 2.774 0 1 CFAF OCC[C@]12N[C@H](Cc3ccccc31)[C@@H]1CCCC[C@@H]12 10568 NDYRQXAREGWAOX-XBVQOTNRSA-N 257.377 2.599 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2ccccc2)N1Cc1ccccc1 28530583 CWIVVRPOHJFJTG-LNKXUWQBSA-N 267.328 2.785 0 1 CFAF CC(=O)OCC(C)=CCC[C@](C)(O)[C@@H]1CC[C@@](C)(O)[C@@H]1C 2356804099 AARBOKSNAGDJKW-DZUCGIPZSA-N 298.423 2.824 0 1 CFAF Fc1ccc2c(c1)CC[C@H](c1nnc(-c3cnccn3)o1)O2 1911574030 JAZPQLVKQOMQRG-CYBMUJFWSA-N 298.277 2.732 0 1 CFAF CC(C)Oc1cncc(C2=C[C@@H]3CNC[C@H](C2)C3)c1 95579261 LYGZRGMHPFAAMR-OLZOCXBDSA-N 258.365 2.882 0 1 CFAF CC(=O)OC/C(C)=C\Cc1cc(C(C)=O)ccc1O 238747360 SOKFLIPORULBKJ-WMZJFQQLSA-N 262.305 2.647 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](c1ccn(C)n1)CC2=O 587476126 PJMCRBBVGKKHFU-OAHLLOKOSA-N 286.331 2.785 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]ccc1=N)CC2=O 587473485 VZYWXWFTVSMNLR-MRXNPFEDSA-N 298.342 2.859 0 1 CFAF COc1ccc2c(c1)CCC=C2Cc1nc2cncnc2[nH]1 587935743 UZQQUQNNCNHTEW-UHFFFAOYSA-N 292.342 2.934 0 1 CFAF Fc1ccc2c(-c3nc4cnncc4[nH]3)coc2c1 587174995 OGRZIXYVDUXIJG-UHFFFAOYSA-N 254.224 2.905 0 1 CFAF COc1cc2nc(-c3c(N)cccc3O)[nH]c2cc1F 587249819 KFGWSIKDRFBYRH-UHFFFAOYSA-N 273.267 2.665 0 1 CFAF COc1cccc2nc(-c3c(N)cccc3O)[nH]c12 587250266 LLYXVRDLVLVLOP-UHFFFAOYSA-N 255.277 2.526 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1CCC=CO1)O2 587413630 SZIKOCWJOLSVKM-KBPBESRZSA-N 259.305 2.604 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cnn1C)O2 587377409 HXODVBAQAYVAGA-GFCCVEGCSA-N 291.738 2.671 0 1 CFAF O=S(=O)(O)c1ccc2nc(C3(F)CCCCC3)[nH]c2c1 587132175 LWHFZQDLDGUFPA-UHFFFAOYSA-N 298.339 2.939 0 1 CFAF Brc1cc(NCc2cnc[nH]2)c2cn[nH]c2c1 1857573492 CFPOTLFBERXGIC-UHFFFAOYSA-N 292.140 2.661 0 1 CFAF Cc1cc(O)cc(Oc2cc(C)c(C(N)=O)c(O)c2)c1 1857587719 AWRMGTNTGJOJPC-UHFFFAOYSA-N 273.288 2.606 0 1 CFAF CC(C)CCSC(=S)NCCCC[S@@](C)=O 1857771520 OXPZZHTXADJIQX-MRXNPFEDSA-N 281.512 2.799 0 1 CFAF COC(=O)c1cc(CCCCCCCN)sc1N 1772601535 YSLZOTDZDJTVRB-UHFFFAOYSA-N 270.398 2.569 0 1 CFAF O=C1CCc2c(c3c(c4ccccc24)CCC(=O)O3)O1 13560926 FXYWSYBNLNYZBN-UHFFFAOYSA-N 268.268 2.543 0 1 CFAF COc1cc(-c2cc(=O)c3ccccc3n2C)ccc1O 15217313 IPWJTTXZFDPVEQ-UHFFFAOYSA-N 281.311 2.920 0 1 CFAF CC(=O)Oc1cccc([C@@H]2CN3CCCC[C@@H]3CO2)c1 169315905 SENYZNMJSULWOI-ZBFHGGJFSA-N 275.348 2.538 0 1 CFAF Cc1nnc2sc([C@H](O)c3ccccc3)c(N)c2c1C 1857595877 JYTHBEICVWQRRT-CYBMUJFWSA-N 285.372 2.972 0 1 CFAF N#CN[C@@H]1CCc2ccc(-c3nc[nH]c4nccc3-4)cc21 1857654133 RBDSMNWWGHWDMP-CQSZACIVSA-N 275.315 2.634 0 1 CFAF O=c1c(O)ccc(-c2cc3ccccc3o2)c(O)c1O 13775894 KCWPNOAEDYVKGF-UHFFFAOYSA-N 270.240 2.577 0 1 CFAF O=C1NC(=O)/C(=C/c2ccccc2Cl)CS1 103290156 NKXNCVZOWAYPDG-VMPITWQZSA-N 253.710 2.706 0 1 CFAF CCc1ccc(OC[C@@H](O)[C@@H](C)NC(C)(C)C)cc1 28227090 ILFYZXRVILFBCR-IUODEOHRSA-N 265.397 2.765 0 1 CFAF COc1ccc(C2(N(C)C)CCC(=O)CC2)cc1OC 27427024 HVKRFWCCSCENQC-UHFFFAOYSA-N 277.364 2.604 0 1 CFAF c1ccc(-c2ncc(-c3cnc([C@@H]4CCNC4)[nH]3)cn2)cc1 118620220 YRDILXMZJGUJKP-CYBMUJFWSA-N 291.358 2.611 0 1 CFAF C[C@H](c1ccc(Cl)cc1)S(=O)(=O)c1cccc[n+]1[O-] 27526944 CQKFSRKMQSKRRO-SNVBAGLBSA-N 297.763 2.508 0 1 CFAF CC(=O)OCc1cc(=O)oc2cc3occc3cc12 64549795 VGBSVSAPEVDVLS-UHFFFAOYSA-N 258.229 2.602 0 1 CFAF C[C@]12CCC(=O)C[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@](O)(CO)C3 2356699112 DNACOAAHNFXRTM-GZQWEXQLSA-N 292.419 2.686 0 1 CFAF Fc1ccc(-c2cc(NC[C@@H]3CCCO3)ncn2)cc1 82161172 ZQRMVEXWIWZZCR-ZDUSSCGKSA-N 273.311 2.874 0 1 CFAF CCOC(=O)[C@@H]1CCc2nc3c(ccn4ccnc34)cc2C1 40380154 ZVIIRNPSHFXSPU-GFCCVEGCSA-N 295.342 2.551 0 1 CFAF CNCC[C@H]1CC[C@@H](CCc2cc(F)ccc2OC)O1 40901547 NTTIJAHCUAQKMW-HUUCEWRRSA-N 281.371 2.924 0 1 CFAF in-vitro O=c1cc(N2CCOCC2)cc(-c2ccc(Cl)cc2)o1 49942525 QAPAFHWHAZOAOB-UHFFFAOYSA-N 291.734 2.797 0 1 CFAF in-vivo Cc1ccc(C(=O)[C@H]2CN=C3C=CC=CN3C2)cc1 43016014 VDSMLJONROIEHX-AWEZNQCLSA-N 252.317 2.592 0 1 CFAF COc1cc(CCCc2ccc(O)cc2O)ccc1O 140148103 WKEPVRNLHWQPGA-UHFFFAOYSA-N 274.316 2.987 0 1 CFAF C[C@H](c1nc2cccc(C(=O)O)c2[nH]1)n1cc(Cl)cn1 587082088 JWCHGDDQUGVYQW-SSDOTTSWSA-N 290.710 2.720 0 1 CFAF CC[C@]1([C@@H](C)CN(C)C)CC(=O)c2cc(C)cc(N)c2O1 587384915 ACBOCYHNLSVNGC-YVEFUNNKSA-N 290.407 2.889 0 1 CFAF Cc1cc2[nH]c(C[C@H](C)CCC(=O)O)nc2c(C)n1 587962316 DLCONTXQJKGQFK-MRVPVSSYSA-N 261.325 2.618 0 1 CFAF COC(=O)Nc1ccc(-c2nc3c(C)ccnc3[nH]2)cn1 587244199 BJCJMRNEZSFYPV-UHFFFAOYSA-N 283.291 2.507 0 1 CFAF COc1cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2cn1 586906650 DSKWTRILRAZHEI-VIFPVBQESA-N 297.314 2.547 0 1 CFAF COc1cc2c3c(c1)OC1(C[C@@H](C)O[C@H](C)C1)[C@@H](C2)C3=O 587456191 SLIUSFXXKULCII-BREBYQMCSA-N 288.343 2.769 0 1 CFAF CC(C)(SCC(=O)O)c1nc2ccccc2[nH]1 586959438 NVICWSCMQCZPIN-UHFFFAOYSA-N 250.323 2.616 0 1 CFAF Nc1ccc2oc(-c3nc4cc(N)c(N)cc4[nH]3)cc2c1 587252250 UPGULTBYGKPKHT-UHFFFAOYSA-N 279.303 2.723 0 1 CFAF Cc1cnc2[nH]c(/C=C/C(=O)Nc3ccccc3)nc2c1 587244534 OSUVQJNVKJCXOJ-BQYQJAHWSA-N 278.315 2.918 0 1 CFAF Cc1c(F)ccc2c1[C@](C)(c1cccnc1N)NCC2 962090101 IWBFGRPBVNJDBJ-INIZCTEOSA-N 271.339 2.521 0 1 CFAF CC(=O)c1ccc([C@H]2NCCc3c(C)ccnc32)cc1 963071385 ROTYVYXBQMXZRK-MRXNPFEDSA-N 266.344 2.828 0 1 CFAF CSC(=S)c1c(C)nn(-c2ccccc2)c1O 1857765000 OHTCXYVSQWKOTP-UHFFFAOYSA-N 264.375 2.925 0 1 CFAF CCCC[C@@H](CCO)Nc1nc(N)nc2c(F)cccc12 205017902 PPYKSXIQNDFFBH-JTQLQIEISA-N 292.358 2.704 0 1 CFAF COc1cccc2c1C[C@@H](NC(=O)c1ccccc1)CC2 13833096 KLJIYXYXXSWFOJ-HNNXBMFYSA-N 281.355 2.983 0 1 CFAF CC[C@](O)(C(=O)NCCc1ccccc1)c1ccccc1 13586430 YTAXBENGUQQEEQ-GOSISDBHSA-N 283.371 2.643 0 1 CFAF CCCCOCc1cccc(Cc2cnc(N)nc2N)c1 13726711 XEJJIPLFLDZYDR-UHFFFAOYSA-N 286.379 2.549 0 1 CFAF CC(C)NC(=O)CCn1c(=S)oc2ccccc21 224623 OJTIRQUJELFWSO-UHFFFAOYSA-N 264.350 2.878 0 3 CFAF CCNC(=O)Oc1cccc2c1CC[C@H]1CCN(C)[C@H]21 28466269 QJKKNTBZVBEQGM-NHYWBVRUSA-N 274.364 2.734 0 1 CFAF C[C@@H](Cc1ccccc1)NC[C@@H](N)Cc1ccccc1 28474630 MIYJTSGMYOKUNW-YJBOKZPZSA-N 268.404 2.777 0 1 CFAF COc1cc(OC)c(-c2nc3cc[nH]cc-3n2)c(OC)c1 100970085 OTNRFTYRHJOIGC-UHFFFAOYSA-N 285.303 2.602 0 1 CFAF O=C1CSc2cc(Cl)ccc2N1C[C@@H]1CCCO1 103174406 QIVJTIAKUFWTCD-JTQLQIEISA-N 283.780 2.958 0 1 CFAF CC(C)N(C)C(=O)c1ccc([C@@H]2CCCN2)s1 20777582 JFVGOXATHWZVBP-JTQLQIEISA-N 252.383 2.653 0 1 CFAF CC(=O)Oc1ccccc1/C=C\C(=O)NCc1ccccc1 28091298 LYJRQBSNWYBPBT-QXMHVHEDSA-N 295.338 2.942 0 1 CFAF CCO[C@]1(C)CC[C@H](C(C)C)[C@H](O)[C@@H]2[C@H]1CC[C@@]2(C)O 2356417332 YGOHZWXICDKWGL-KOWPAETKSA-N 284.440 2.986 0 1 CFAF CC(=O)CC[C@H](C=C[C@@]1(C)C[C@@H](O)CO1)C(C)C 2356479887 HNZVGCPOGGNFAH-KFWWJZLASA-N 254.370 2.724 0 1 CFAF COc1ccc2c(c1)C(=O)[C@H]1C=C([N+]#N)C=C[C@@H]1N2 27436442 QBYHNPKUGOWAMX-JQWIXIFHSA-O 254.269 2.595 0 1 CFAF CCCCC[C@@H]1Cc2cc(O)cc(O)c2C(=O)O1 2356808717 ZCPYJMSBMMBYSS-LLVKDONJSA-N 250.294 2.760 0 1 CFAF CCCCCC[C@@H]([C@@H](C)O)n1cnc(C(N)=O)c1Cl 34633632 ANJUWBLUJCKCDG-ZJUUUORDSA-N 287.791 2.528 0 1 CFAF C[C@@H]1[C@H]2Cc3ccc(C(N)=O)cc3[C@]1(C)CCN2CC1CC1 33980697 FAVQVALXVLMHLE-QHLBDZCJSA-N 298.430 2.720 0 1 CFAF CC1=CC[C@@]2(C[C@H]1O)[C@@H](C(=O)O)CC[C@H]2C(C)C 137284326 ZIOMQRRFPWLXDN-JLNYLFASSA-N 252.354 2.841 0 1 CFAF Nc1nonc1-c1nc2ccccc2n1C1CCCC1 49018653 VHQHJGLYTLVYKC-UHFFFAOYSA-N 269.308 2.784 0 1 CFAF Cc1nn(-c2cc(Cl)cc(Cl)c2)cc1-c1nnn[nH]1 96938403 JHVSFYGIQUKAQR-UHFFFAOYSA-N 295.133 2.668 0 1 CFAF COc1cccc(-c2nc3ccsc3c(=O)o2)c1 621476094 JSRIWKNSLLQBIU-UHFFFAOYSA-N 259.286 2.925 0 1 CFAF CN1CCC[C@@H](Cc2ccnc3ccncc23)CC1 299852135 NXCKOJZYEGDFNT-CYBMUJFWSA-N 255.365 2.904 0 1 CFAF Cc1ccc(Cl)cc1-n1cc(-c2ccnc(N)n2)cn1 299858230 DLPCWTIWHXSRCV-UHFFFAOYSA-N 285.738 2.873 0 1 CFAF c1c[nH]c2nc(COC34CC5CC(CC(C5)C3)C4)nc-2n1 587949871 DTDFJYDDVWZUEC-UHFFFAOYSA-N 284.363 2.790 0 1 CFAF Nc1cccc(C(=O)O)c1-c1nc2cc(Cl)cnc2[nH]1 587248901 YRHAJBLITOEWNS-UHFFFAOYSA-N 288.694 2.559 0 1 CFAF O=C1CCC[C@H](c2nc3cccc(C(=O)O)c3[nH]2)CC1 586885435 MTBQRXURXMAFNJ-VIFPVBQESA-N 272.304 2.878 0 1 CFAF Cc1cc(O)n(-c2cccc(Br)c2N)c1O 587937387 QQLUOVCKEGMECK-UHFFFAOYSA-N 283.125 2.542 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](CCCCO)CC2=O 164724619 QJUDJEBJWCGYDV-NSHDSACASA-N 278.348 2.841 0 1 CFAF Oc1nc(-c2cccnc2)ncc1Cc1ccccc1F 116191412 UGTMZBDDSNJKKJ-UHFFFAOYSA-N 281.290 2.974 0 1 CFAF O=C(O)c1ccnc(-n2nccc2-c2ccccc2)c1 146914365 WGDUIIXPWPBNOF-UHFFFAOYSA-N 265.272 2.633 0 1 CFAF COC(=O)c1cccc2nc3cc(OC)ccc3nc12 34560160 ODQWLBQFOQTWHZ-UHFFFAOYSA-N 268.272 2.578 0 1 CFAF Cc1ccc2c(c1)CC(=O)N2C(=O)c1ccccc1 1772582143 QRFZYEFKIXTJLW-UHFFFAOYSA-N 251.285 2.725 0 1 CFAF O=C1C[C@H](c2cccc3cc(Cl)ccc23)C(=O)N1 1772648785 QLEPWSIMBCCTEX-GFCCVEGCSA-N 259.692 2.623 0 1 CFAF CC(C)NC[C@H](O)CO[C@H]1C[C@@H](C)CC[C@@H]1C(C)C 11617111 IXLSSBPTUXEGSB-JONQDZQNSA-N 271.445 2.823 0 1 CFAF COc1ccc2c(c1)c1c(n2C)CCC[C@H]1NC(C)=O 13781850 WBKWBPKZIIWMCD-CYBMUJFWSA-N 272.348 2.700 0 1 CFAF NCc1cc(=O)c2cc(Oc3ccccc3)ccc2[nH]1 1857554473 UGXKKLWBMAUZLL-UHFFFAOYSA-N 266.300 2.779 0 1 CFAF O[C@H](c1ccc(Cl)cc1)c1ccc(C2=NCCN2)cc1 27411946 XDCVAPLOJFWLJM-HNNXBMFYSA-N 286.762 2.772 0 1 CFAF CCO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1ccccc1 103941344 XSBHAZNCNNQLCO-RVROTUBLSA-N 276.361 2.883 0 1 CFAF Cc1nc(NCc2ccccc2)nc(C(F)F)n1 103296890 XXJRWHFIWNFOMV-UHFFFAOYSA-N 250.252 2.730 0 1 CFAF Cc1ccccc1[C@H]1N(c2ccccn2)C(=O)[C@H]2CCCN21 58046581 IRYWOGQGJFDHTB-NVXWUHKLSA-N 293.370 2.900 0 1 CFAF c1ccc2c(c1)NC1=c3ccccc3=NC3(CCCCC3)N12 104031378 LMOBTXMWNWJHJL-UHFFFAOYSA-N 289.382 2.978 0 3 CFAF CC(C)=CCc1[nH]c2ccccc2c1C[C@@H](N)C(=O)O 64393147 HWPSCUDNNXHXQJ-CYBMUJFWSA-N 272.348 2.631 0 1 CFAF CN(C)C(=O)c1nc2cc(Cl)c(Cl)cc2n1C 40864825 QNMAGAIEZCXKEP-UHFFFAOYSA-N 272.135 2.582 0 1 CFAF c1ccc([C@H]2Cc3nccn3C2)c(-c2ncco2)c1 40980726 MIWWMVGPFZMLEG-NSHDSACASA-N 251.289 2.878 0 1 CFAF Cc1cc(O)cc(O)c1Oc1cc(O)cc(C)c1C(=O)O 139755066 ZXWOXXVHOUPFOK-UHFFFAOYSA-N 290.271 2.911 0 1 CFAF C[C@@H]1NCCCN(c2ccc(Cl)c(Cl)c2)C1=O 143971364 RMMLIJYUEZXTDN-QMMMGPOBSA-N 273.163 2.708 0 1 CFAF CCC1(CC)NC(=S)N(c2ccc(F)cc2)N1 199206445 FJYKZLAWNOKGLD-UHFFFAOYSA-N 253.346 2.541 0 1 CFAF O=C1NC(=S)N(c2cccc(F)c2)C12CCCCC2 95872350 QIWHSLRWRUTZRD-UHFFFAOYSA-N 278.352 2.750 0 1 CFAF COC[C@@H]1CSC(N)=N[C@]1(C)c1ccc(F)cc1F 299866757 WRFZKUFJPBAFHG-OQPBUACISA-N 286.347 2.504 0 1 CFAF COc1cc2c3c(c1)O[C@]1(CCS[C@@H]1C)[C@@H](C2)C3=O 587454263 VTPDRQCGGPNFND-SXKNGAHQSA-N 276.357 2.707 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1cnn3C)O2 587390033 FJQXGZIVHUCFHF-KRWDZBQOSA-N 297.358 2.508 0 1 CFAF CCCC[C@@H](O)c1nc2nc(O)nc(O)c2cc1CCC 587561333 PVMOSNKIOPQUJH-LLVKDONJSA-N 291.351 2.612 0 1 CFAF CCc1ccccc1NC(=O)c1nc2cnc(OC)cc2[nH]1 587241639 ZXVPJWKRBKHZEB-UHFFFAOYSA-N 296.330 2.781 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(C[C@@H]1CCCO1)[C@@H](C2)C3=O 587456745 XXPCNFKNJKEIMI-PLQHRBFRSA-N 288.343 2.770 0 1 CFAF COc1ccc(N[C@@H](C)CCCN)c2cccnc12 169320046 JBSNECMAFUHYCS-NSHDSACASA-N 259.353 2.783 0 1 CFAF c1ccc(C2(c3ccccc3)CC2=C2NCCN2)cc1 1857538793 AMRFVEMXRRPNJH-UHFFFAOYSA-N 262.356 2.781 0 1 CFAF NCc1cc(=O)c2cc(-c3ccc(F)cc3)ccc2[nH]1 1857560519 BCXZEZPYTYWCCS-UHFFFAOYSA-N 268.291 2.793 0 1 CFAF Cc1ccccc1OCC(=O)Nc1ccc2nn(C)cc2c1 1857566832 ZCYPFWQQTWOGBG-UHFFFAOYSA-N 295.342 2.899 0 1 CFAF Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)cc1C 101027939 UUYUSNTYGICKSX-GBOPCIDUSA-N 267.328 2.615 0 1 CFAF CC(C)NC(=O)[C@]1(C)CCCN1Cc1ccccc1 61896153 KLHSQCPDFDOHRU-INIZCTEOSA-N 260.381 2.566 0 3 CFAF COc1ccc(N(CCNC(C)=O)c2ccccc2)cc1 28864616 PWTCGLHUMIIRML-UHFFFAOYSA-N 284.359 2.969 0 1 CFAF in-vitro CC1=CCC[C@H](C)[C@H](C)OC(=O)CC[C@](C)(O)C=C[C@@H]1O 2356604342 YFBAYNVMPAOPKZ-NZUILWFCSA-N 296.407 2.743 0 1 CFAF N=C(N)NCc1ccc(C=C=Cc2ccccc2)cc1 26834681 KHVPZZQBHOCIHA-UHFFFAOYSA-N 263.344 2.995 0 1 CFAF CCOC(=O)[C@]1(C)CCCN1C(=O)c1cc(F)ccc1C 61902778 BIWXKRSXIJFQEL-INIZCTEOSA-N 293.338 2.692 0 3 CFAF COc1ccc(CCC(=O)c2c(O)cccc2O)cc1 34509876 JKGBZWLZBRANMY-UHFFFAOYSA-N 272.300 2.922 0 1 CFAF c1cnc2[nH]cc(-c3ccnc(NC4CCOCC4)n3)c2c1 72139697 RTOLQQKUEMLIGS-UHFFFAOYSA-N 295.346 2.611 0 1 CFAF C[n+]1ccc2cc3c(cc2c1Cc1ccc(O)cc1)OCO3 49032974 CGUKRHMBJLHCNW-UHFFFAOYSA-O 294.330 2.689 0 1 CFAF Cc1ccc([C@H]2CC(c3ccco3)=NN2C(N)=S)cc1 49033433 WQBRYKLGUOWZLE-CYBMUJFWSA-N 285.372 2.983 0 1 CFAF Oc1cccc([C@H]2NC(=S)Nc3cc(F)ccc32)c1 87722304 YFCQKEDOZFMWBS-CYBMUJFWSA-N 274.320 2.921 0 1 CFAF CC[C@H]1N(Cc2nccs2)CCC[C@]12CCC(=O)N2C 299843145 MYOITUAJOJTGDG-DOMZBBRYSA-N 293.436 2.509 0 1 CFAF COc1cc2c3c(c1)O[C@H]([C@@H]1CCC=CO1)[C@@H](C2)C3=O 587452582 FIZOKADSMDALQX-MKBNYLNASA-N 272.300 2.504 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccc[nH]1)[C@@H](C2)C3=O 587438726 QFMKYPYCHMKQDA-ZUZCIYMTSA-N 255.273 2.512 0 1 CFAF Brc1cncc2nc(CCOCC3CC3)[nH]c12 587785041 XSHOZCGBTFNBDQ-UHFFFAOYSA-N 296.168 2.690 0 1 CFAF [O-][n+]1ccccc1SCc1nc2ccc(F)c(F)c2[nH]1 586969071 GEFVQUBVJOMPRT-UHFFFAOYSA-N 293.298 2.767 0 1 CFAF OCc1ccc(-c2nc3c(Cl)cncc3[nH]2)cc1 586895740 WPEULKAEDIFRRG-UHFFFAOYSA-N 259.696 2.771 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1cncs1)[C@@H](C2)C3=O 587452427 MWHQPVXLFZPNDA-XPTSAGLGSA-N 273.313 2.640 0 1 CFAF Nc1cc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)ccc1F 587139682 PZERFPCTEXCTGH-CYBMUJFWSA-N 285.282 2.675 0 1 CFAF COc1ccc(NC(C)(C)c2nc3cc[nH]c(=N)c3[nH]2)cc1 587201850 XRSYHXVNXXPKHQ-UHFFFAOYSA-N 297.362 2.726 0 1 CFAF COc1cc2nc(C3CC4(COC4)C3)[nH]c2cc1C 586915531 FPSPOSPFIHDMDJ-UHFFFAOYSA-N 258.321 2.774 0 1 CFAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ncc[nH]c-2n1 587149383 GRCPJDZJSYBIIR-SSDOTTSWSA-N 276.246 2.723 0 1 CFAF COC1(OC)CC[C@@]2(C)O[C@@H](c3ccccc3)[C@@H]1O2 5812485 IWPNHSXUSSCPPK-IHRRRGAJSA-N 264.321 2.642 0 1 CFAF Cc1[nH]n(-c2ccccc2)c2nc(=O)cc(C(F)(F)F)c1-2 12731920 QKGKFRWKONUXEW-UHFFFAOYSA-N 293.248 2.993 0 3 CFAF CCc1c(OC)cc2oc3cc(Cl)cn3c(=O)c2c1O 13386123 YMWSWMKOGGNYQH-UHFFFAOYSA-N 293.706 2.976 0 1 CFAF O=C1c2c(O)cccc2-c2c3c(cc4ccnc1c24)OCO3 14620275 STVVCAQTWCCDAV-UHFFFAOYSA-N 291.262 2.881 0 1 CFAF CNc1ncc(Nc2n[nH]c3cccnc23)cc1Cl 167009622 MZWXHHGADOAART-UHFFFAOYSA-N 274.715 2.792 0 1 CFAF O=C1c2ccccc2OC[C@]12O[C@@]21C=CC(Cl)=CC1 1658168 CRBUDKIYSKYRSV-CABCVRRESA-N 274.703 2.852 0 1 CFAF Cc1ccc(-c2ccc3n(c2=O)C[C@H]2CNC[C@H]3C2)s1 101043305 GDOJWRLPIHNADV-VXGBXAGGSA-N 286.400 2.592 0 1 CFAF O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc2cccnc2c1 28134327 OCPHXKBVXMHLTL-HMEQZMJYSA-N 290.322 2.546 0 1 CFAF COc1cccc2c1CC[C@]21NCc2ccccc21 27655884 VEJKHHFETZHWCA-QGZVFWFLSA-N 251.329 2.988 0 1 CFAF CC1(C)C(=O)NN=C1c1ccc(-c2ccncc2)cc1 29467315 SHYXUTROFSNCAH-UHFFFAOYSA-N 265.316 2.609 0 1 CFAF CCc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)OC)N3C)cc1 29479357 UAMCGXVVAUEEEU-QZWWFDLISA-N 287.403 2.988 0 1 CFAF CC[C@H](C)COc1cc([C@@H]2CNC(=O)C2)ccc1OC 29233427 CTBFKVULAKMSGK-AAEUAGOBSA-N 277.364 2.724 0 1 CFAF CC(=O)OC=C(C)[C@@H]1CC[C@H](C)[C@@H]1COC(C)=O 2356608761 UGSHXVXFFPLXBZ-HERUPUMHSA-N 254.326 2.679 0 1 CFAF O=C1C[C@@]23C[C@@]14CCCN1CC[C@H]([C@H]2c2ccccc2N3)[C@H]14 2356766115 KQOTZCMTYZMKDE-RBPQIDMKSA-N 294.398 2.782 0 1 CFAF CN(C)[C@@H]1CCN(c2ncnc3c2sc2ccccc23)C1 73196948 FVILIXGYXCFRAO-LLVKDONJSA-N 298.415 2.985 0 1 CFAF O=C(c1ccccc1)c1cn(-c2ccc(Cl)cc2O)nn1 220560780 BZWCDCDETGAEFQ-UHFFFAOYSA-N 299.717 2.857 0 1 CFAF O=C(NCCc1ccccc1)Nc1ccc2[nH]ncc2c1 84635312 XEZOXLSEWZHMQY-UHFFFAOYSA-N 280.331 2.927 0 1 CFAF in-vitro CCc1nn(CCO)c(CC)c1Oc1ccc(F)cc1 45261323 BKUQQDOUANFFDQ-UHFFFAOYSA-N 278.327 2.932 0 1 CFAF CN1O[C@@]2(C[C@@H]1c1ccccc1)C(=O)Nc1ccccc12 147541219 HNMZGBZWOGTWJH-NVXWUHKLSA-N 280.327 2.842 0 1 CFAF COc1cc2c(=O)cc(-c3ccc(O)cc3)oc2cc1O 238747343 OETSANFHEJPBHW-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF c1ccc2c(c1)nnn2-c1ccnc(NC2CCCCC2)n1 96932984 YVLVTFFRFJLZON-UHFFFAOYSA-N 294.362 2.955 0 1 CFAF N=c1cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c[nH]1 586890349 OOUQIGGQZJOKJG-DJQAVVSRSA-N 268.364 2.838 0 1 CFAF Nc1ccc(/C=C/c2nc3ccc(CCO)cc3[nH]2)cc1 587251641 KSAYWUBSMJIXMR-XBXARRHUSA-N 279.343 2.850 0 1 CFAF Fc1cncc(-c2nc3cc(Br)ncc3[nH]2)c1 587177114 PYIVWYYJEUNITC-UHFFFAOYSA-N 293.099 2.922 0 1 CFAF C[C@H](Oc1ccc(F)cc1)c1nc2ccnc(O)c2[nH]1 587168324 FTKYULHVVVDICN-QMMMGPOBSA-N 273.267 2.943 0 1 CFAF COc1ccnc(-n2nc3cc2Oc2ccc(F)cc2-3)n1 587876109 ZDMQDCRTQOMWDA-UHFFFAOYSA-N 284.250 2.583 0 1 CFAF CC[C@H]1OCCC[C@@H]1c1nc2nc(Cl)c[nH]c-2n1 586909941 GGEIQZZJDDXWDM-JGVFFNPUSA-N 266.732 2.631 0 1 CFAF N[C@H](c1nc2cc(Cl)ncc2[nH]1)c1ccc(F)cc1F 587149311 DMRVNUCJQKPLOH-LBPRGKRZSA-N 294.692 2.938 0 1 CFAF COc1cccc(CCc2nc3ccnc(OC)c3[nH]2)c1 587929987 BPTWZYKESOPJPB-UHFFFAOYSA-N 283.331 2.760 0 1 CFAF Cc1c(F)cc(-c2nc3c(N)ccnc3[nH]2)cc1F 587132691 JKDSRBZVJGYZMJ-UHFFFAOYSA-N 260.247 2.794 0 1 CFAF COc1ccc(-c2ccc3[nH]nc(C(=O)O)c3c2)cc1 1772608500 BBTNJRYVRKDPQM-UHFFFAOYSA-N 268.272 2.937 0 1 CFAF O=C1C(Cl)=CCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1 1772651136 UTOYUGQIPNRCGJ-NWDGAFQWSA-N 275.735 2.672 0 1 CFAF CNc1nc2cc(C)ccc2n2ncc(Br)c12 1857644782 HYYMGIWJTJOXGT-UHFFFAOYSA-N 291.152 2.995 0 1 CFAF O=c1cc(-c2ccc(O)cc2)c2c(O)cc(O)cc2o1 13328263 CGVARJGGCPCIES-UHFFFAOYSA-N 270.240 2.577 0 1 CFAF CC1=CCS(=O)(=O)[C@@H]1[C@@H](O)C1=C(C)CCCC1(C)C 1652909 QFXAVRIMIVBVLD-KBPBESRZSA-N 284.421 2.617 0 1 CFAF O=C(Nc1c(-c2ccc(F)cc2)nc2ncccn12)C1CC1 108697028 NQFQJNCJNCOMOJ-UHFFFAOYSA-N 296.305 2.884 0 3 CFAF Cc1[nH]nc2c1[C@@H](c1ccc(F)cc1)C1=C(O)OCC1=N2 103670213 KUBCVSYLRDJNCH-GFCCVEGCSA-N 285.278 2.875 0 1 CFAF Cn1c(-c2cccc(F)c2)nc2c(N3CCCC3)ncnc21 58608652 BCOQXHWUAHVCSB-UHFFFAOYSA-N 297.337 2.770 0 1 CFAF C/C1=C/c2occ(C)c2[C@H]2C=C(CC[C@@H]1O)C(=O)O2 105579043 JWFQYTGNEFSYSJ-UGCNIRMFSA-N 260.289 2.670 0 1 CFAF Cc1cccc(NC2=NCC(=O)N2CCc2ccccc2)c1 26377863 XDOXNVNICLPTQR-UHFFFAOYSA-N 293.370 2.848 0 3 CFAF CC(C)=CCc1ccc(O)c2c1[C@@H](CC(=O)O)OC2 2356415388 JHMOWWRDIQXHCN-CYBMUJFWSA-N 262.305 2.947 0 1 CFAF C[C@@H]1CC[C@@H]2C=C(C(=O)O)[C@@H]3C[C@](C)(C(=O)O)C[C@@]123 2356686481 HUJFKZCVAUJOMH-HHYGZGRMSA-N 264.321 2.544 0 1 CFAF CCNc1nc2ccc(F)cc2n2c(C(F)(F)F)nnc12 26377196 ARTVEZWWLDUXKW-UHFFFAOYSA-N 299.231 2.867 0 1 CFAF Nc1nnc2c3ccccc3c(Oc3ccc(F)cc3)nn12 64453970 LBUVXSAFJXJXMP-UHFFFAOYSA-N 295.277 2.791 0 1 CFAF c1ccc(Cn2cc(-c3ccc4nccnc4c3)nn2)cc1 73224932 JAYOSIFTUXTVJV-UHFFFAOYSA-N 287.326 2.937 0 1 CFAF NC(=O)C1CCN(c2nc(-c3cccs3)cs2)CC1 36380824 QOTJQGNVTQYBTC-UHFFFAOYSA-N 293.417 2.573 0 3 CFAF Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]3CN(C)CC[C@@H]32)cc1 40655856 XSTDZAMTGIEXQR-IXDOHACOSA-N 286.419 2.845 0 1 CFAF CC[C@@]12CC[C@H]3[C@H](C)CC[C@@H]4CC(=O)O[C@H](O1)[C@@]34O2 40472095 QNOOEARUAZQAMK-LOHSVOKGSA-N 266.337 2.607 0 1 CFAF COc1ccc(F)cc1CCC[C@H]1CC[C@H](CN)O1 40863024 BWBCTVUBHWYIEP-UONOGXRCSA-N 267.344 2.663 0 1 CFAF C[C@](O)(c1cccc(O)c1)c1ncnc2ccccc12 199275772 WWZMVEIGNWFAGJ-INIZCTEOSA-N 266.300 2.591 0 1 CFAF Cc1cc([S@](=O)Cc2cc(O)n[nH]2)c(C)cc1Cl 95553630 LLYDYCITFBXENR-SFHVURJKSA-N 284.768 2.693 0 1 CFAF COc1ccc(N(C)c2nc(N)nc3cc(C)[nH]c23)cc1 96933255 KQIWIWFKJWDFHW-UHFFFAOYSA-N 283.335 2.625 0 1 CFAF COc1cccc(/C=C2\C[C@@]3(OC(C)=O)CCCN2C3)c1 96018854 UNELIJSHJLGPSP-FVLHSZHDSA-N 287.359 2.838 0 3 CFAF O=C1C=C2C=C(c3ccccc3)[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31 653696864 NBLYHGXOAZUWGD-SCTDSRPQSA-N 293.366 2.932 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1N)O2 587388827 GYPXAMKOFDAYCS-OAHLLOKOSA-N 268.316 2.866 0 1 CFAF C[C@H](O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587528682 DOFNARCARKOSHO-QFYYESIMSA-N 260.333 2.670 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)([C@H](C)F)[C@@H](C2)C3=O 587419681 DNOZQJIBCBATGA-BNOYYICYSA-N 250.269 2.559 0 1 CFAF COc1ccc2nc(CCC(=O)c3ccc(N)cc3)[nH]c2c1 587252063 USYSKHJZRYLQAO-UHFFFAOYSA-N 295.342 2.969 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2CCO[C@H]2C12CCC2 587406292 AVTHOZPKRYSNIK-XZOAIXRZSA-N 299.370 2.870 0 1 CFAF CCCc1c(O)ccc2c1O[C@@](C)(COC)CC2=O 587483629 RNTOXDMGHSYAOD-OAHLLOKOSA-N 264.321 2.715 0 1 CFAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc[nH]c(=N)c2[nH]1 587028264 OHTBHOVONSFLNG-UHFFFAOYSA-N 296.359 2.797 0 1 CFAF C[C@@H](Cc1nc2cc(Cl)nc(Cl)c2[nH]1)N(C)C 587191361 LNCWHYZAXKRBGR-LURJTMIESA-N 273.167 2.757 0 1 CFAF CCn1c(=O)n(-c2ccccc2OC)c2ccccc21 1857594015 APFVJUGHOJXBRO-UHFFFAOYSA-N 268.316 2.821 0 1 CFAF CCC(=O)CC(=O)CCC(=O)Nc1cc(C)ccc1C 5501517 YKFFUEGKFJWNEF-UHFFFAOYSA-N 275.348 2.960 0 1 CFAF NC(=O)N(O)Cc1sccc1Oc1ccccc1 13762923 YVYHORUBTLSHQS-UHFFFAOYSA-N 264.306 2.810 0 1 CFAF CO[C@H]1N(OC)c2ccccc2[C@@]12CN=C(SC)S2 14713578 KJSKSCBVIGFOKZ-YPMHNXCESA-N 296.417 2.702 0 1 CFAF endogenous,in-man O=C(O)Cc1ccc2c(c1)[C@H](O)Cc1cc(F)ccc1O2 26013504 IKYSNGAOZDJLNL-CYBMUJFWSA-N 288.274 2.835 0 1 CFAF O=[S@@](c1ccccc1)N1CCN(c2ccccc2)CC1 27745572 BHLSPIMELYJCEI-HXUWFJFHSA-N 286.400 2.531 0 1 CFAF C=COC(=O)N1[C@H]2CC[C@H]1CCC[C@@]2(Cl)C(C)=O 102916258 BEOIGTMHOGUMPJ-NTZNESFSSA-N 271.744 2.850 0 1 CFAF O=C(COC(=O)[C@H]1C[C@@H]2C=C[C@@H]1C2)Nc1ccccc1F 104103640 GZMPFMLWRQFUSU-UTUOFQBUSA-N 289.306 2.520 0 1 CFAF COc1cc(N[C@@H](C)CCCN)c2ncccc2c1F 26397091 KKZJVMGNAQRTHJ-JTQLQIEISA-N 277.343 2.922 0 1 CFAF COC1=CC(=O)O[C@H](C=Cc2ccc(OC)c(OC)c2)C1 2356429689 FISBBPCLKKQWQA-GFCCVEGCSA-N 290.315 2.563 0 1 CFAF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)Nc1ccccc1 28351447 UANAJRKTEMDGQX-INIZCTEOSA-N 284.359 2.518 0 1 CFAF Cc1cc(O)cc(C)c1/C=C/c1cncc(-c2nnn[nH]2)c1 34947130 ILTYMFZEBAKYFU-ONEGZZNKSA-N 293.330 2.755 0 1 CFAF COc1ccc2cc([C@@H](C)N)cc(CCNC(C)=O)c2c1 73275326 YQZRZXHBYINXBI-LLVKDONJSA-N 286.375 2.547 0 1 CFAF O=C(/C=C/c1ccc(C(F)(F)F)cc1)N1CCCC1=O 38219402 RSIUNDZISMSXPH-VMPITWQZSA-N 283.249 2.868 0 1 CFAF COc1cc(N2C(=O)NCCC[C@H]2C)c2ncccc2c1 43060584 PFINPJCTNOIZFE-LLVKDONJSA-N 285.347 2.942 0 1 CFAF COc1ccc(/C=C/[C@H]2CC=CC(=O)O2)cc1OC 84708965 YCMUHJDHAJRIPV-WAFBPQNNSA-N 260.289 2.589 0 1 CFAF CCSc1n[nH]c(/C=C\C(=O)Nc2cccc(C)c2)n1 49053449 WLBZSHIELAORHY-FPLPWBNLSA-N 288.376 2.877 0 1 CFAF C[C@H](O)C[C@@H]1CC=C[C@@H](C[C@H](O)c2ccccc2)N1C 238753721 CZHJFVUTFXWPCR-HJWJTTGWSA-N 275.392 2.510 0 1 CFAF O=C(O)c1cccc(CN2CCC[C@@H](Cc3ccn[nH]3)C2)c1 257344151 ZVZCWXVUGRPXPR-AWEZNQCLSA-N 299.374 2.563 0 1 CFAF COC(=O)c1cc2nc(-c3ccc(C)cc3F)[nH]c2cn1 587146167 BTFVDVVJJOTYGL-UHFFFAOYSA-N 285.278 2.859 0 1 CFAF Nc1ccnc2[nH]c(COC/C=C/c3ccccc3)nc12 587781389 UTMQNZYTEXOKAC-QPJJXVBHSA-N 280.331 2.770 0 1 CFAF N[C@@H]1CC[C@H](c2nc3cc(Cl)c(Cl)nc3[nH]2)C1 587246835 PIXZUNDRNQMWAW-NTSWFWBYSA-N 271.151 2.860 0 1 CFAF CCCc1c(O)ccc2c1O[C@](C1CC1)([C@H](C)O)CC2=O 587491851 WILWCAXIFKQXCC-BTDLBPIBSA-N 290.359 2.840 0 1 CFAF O=C1CCc2cc3nc(-c4cccc(CO)c4)[nH]c3cc2N1 586895798 ZKBDVZHPEREMKC-UHFFFAOYSA-N 293.326 2.607 0 1 CFAF C[C@@H]1CC(c2ccc3c(O)nc(O)nc3n2)C[C@@H](C)C1 587561367 HAGPGTDIXWVHBR-IUCAKERBSA-N 273.336 2.976 0 1 CFAF Cc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1C 587560393 BCBKPFJUBIWQCB-UHFFFAOYSA-N 267.288 2.720 0 1 CFAF COc1ccnc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587394661 YCIILXSEMCNFET-QGZVFWFLSA-N 298.342 2.861 0 1 CFAF FC(F)(c1ccccn1)c1nc2cc3cn[nH]c3cc2[nH]1 587090113 LVXSUPKSVNYJDV-UHFFFAOYSA-N 285.257 2.974 0 1 CFAF c1ccn2c3c(nc2c1)CCN[C@@]31CCc2sccc21 962984807 NSLVIVSZBDWFBI-MRXNPFEDSA-N 281.384 2.731 0 1 CFAF Cc1cc2nc3[nH]c(=O)[nH]c3cc2c(C)c1Br 13824597 YEBXOZQMALFMCP-UHFFFAOYSA-N 292.136 2.784 0 1 CFAF COc1ccc(/C=C/C(=O)Nc2cccc(N)c2)cc1O 169353191 BAFMLTQBLXPSBP-SOFGYWHQSA-N 284.315 2.635 0 1 CFAF O=C(c1ccccn1)N1N=CC[C@H]1c1ccccc1 33901020 LMNCSUFKJVEMIV-AWEZNQCLSA-N 251.289 2.655 0 1 CFAF O=C(C[C@@H]1CN2CCC1CC2)Nc1ccc2cccnc2c1 3818274 WCKPVMZWEVYPSV-OAHLLOKOSA-N 295.386 2.905 0 1 CFAF COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1cccs1)O2 101501493 BFJBGRWXGVSGLZ-KLBPJQLPSA-N 252.335 2.572 0 1 CFAF COc1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2N(C)C)c1 27624017 NBUGICWZAWRVES-HZPDHXFCSA-N 290.407 2.640 0 1 CFAF C[C@@H]1Cc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N1 27848185 UDMCMALCRGIISA-ZCFIWIBFSA-N 268.238 2.903 0 1 CFAF CC1(C)C[C@H]2OC(=O)CC[C@@]23C[C@@](C)(O)CC[C@H]13 2356465393 PZLWQZYBJYOJTN-FIXIBIHLSA-N 252.354 2.659 0 1 CFAF CC(=CC(=O)O)[C@@H]1OC[C@]23CCCC(C)(C)[C@@H]2[C@H]13 2356528572 ZTYVCEZGXCLVBN-ABHRYQDASA-N 250.338 2.859 0 1 CFAF COC1=C[C@H]2Oc3cc(OC)cc(C)c3C(=O)[C@H]2C(O)=C1 2356589843 VPEWYQPRZOSYDH-HIFRSBDPSA-N 288.299 2.549 0 1 CFAF CN1C(=O)CC[C@H]2[C@@H]3CC[C@]4(C)[C@@H](O)CC[C@@H]4[C@H]3CC[C@H]21 29413780 SQCYNKYOQAZHHL-MTYWFVNZSA-N 291.435 2.821 0 1 CFAF CC(C)NC(=O)[C@@]1(C)CCCN1Cc1ccccc1 61896155 KLHSQCPDFDOHRU-MRXNPFEDSA-N 260.381 2.566 0 3 CFAF COc1ccc2c(c1)C(=O)C(c1ccc(OC)c(C)c1)=[N+]2[O-] 45259901 WCKUTCQDOFCJIV-UHFFFAOYSA-N 297.310 2.840 0 1 CFAF CCCCCOc1cc(C(C)=O)ccc1NS(C)(=O)=O 82150039 DKCSNRRDNAYJEF-UHFFFAOYSA-N 299.392 2.830 0 1 CFAF CN(C)[C@@H](C(=O)N1Cc2ccccc2C1)c1ccccc1F 91646160 VPIMGTJNWYETFD-QGZVFWFLSA-N 298.361 2.971 0 1 CFAF CC(=O)O[C@@H]1C=C(C)CC[C@@]2(O)[C@H](C(C)C)CC(=O)[C@]12C 238738533 NMFFRLYFDXSRFV-RKTXRCNFSA-N 294.391 2.641 0 1 CFAF COc1nn2cc(-c3cc4ccc(O)cc4o3)nc2s1 653679736 ADJMTCILOPXOCY-UHFFFAOYSA-N 287.300 2.918 0 1 CFAF Nc1cc(-c2nc3cc(Cl)ncc3[nH]2)ccc1F 587139185 AITKRMRSAMXYSN-UHFFFAOYSA-N 262.675 3.000 0 1 CFAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOC2 587618262 SUYGZDKBSUSHTJ-YOEHRIQHSA-N 298.294 2.513 0 1 CFAF Cc1ccccc1C(C)(C)c1nc2cnncc2[nH]1 587954637 CTMKLKCKAMMIBO-UHFFFAOYSA-N 252.321 2.987 0 1 CFAF C=C[C@](C)(O)CCC[C@@H](C)C(=O)/C=C/C(C)(C)O 13321827 POBIEWKRMCMVFH-QSKJXDJHSA-N 254.370 2.626 0 1 CFAF biogenic CC(=O)Nc1ncc(SCc2c(C)noc2C)s1 13490964 UQVQASXGVJASCM-UHFFFAOYSA-N 283.378 2.999 0 1 CFAF CC(=O)OCCOc1ccc2c(c1)[nH]c1c(C)nccc12 13587094 ROEXDNMDPSGLLT-UHFFFAOYSA-N 284.315 2.966 0 1 CFAF CCCOc1ccccc1-c1nc2ccncc2c(=O)[nH]1 3800961 TZSPLARREHCKFL-UHFFFAOYSA-N 281.315 2.774 0 1 CFAF Cc1ccc(C(=O)c2cn(C)c3nc(C)ccc3c2=O)cc1 6817237 GPYGFYAWUIQFBF-UHFFFAOYSA-N 292.338 2.781 0 1 CFAF O=C(O)C1CCN(c2ccnc3c(F)cc(F)cc23)CC1 101033561 XCVTYPMNUHSXEE-UHFFFAOYSA-N 292.285 2.814 0 1 CFAF CCCOC(=O)CNC(=O)/C=C/c1ccc(C(C)C)cc1 103194808 SVRNGQKTDOQTAT-JXMROGBWSA-N 289.375 2.893 0 1 CFAF CCN(Cc1ccncc1)c1nc(C)nc2oc(C)nc12 55358640 MEYKCCOGNJUTDL-UHFFFAOYSA-N 283.335 2.656 0 1 CFAF Cn1cc(C2=NCC3(C[C@H]4CC[C@H](C3)N4)O2)c2ccccc21 101165824 PDAFNQMUAMELER-CHWSQXEVSA-N 295.386 2.608 0 1 CFAF COC(=O)C/C=C1\c2ccccc2OC[C@H](OC)[C@H]1C 66129128 APVLMEMJLXYXSR-GXQRRPQDSA-N 276.332 2.677 0 1 CFAF C[C@@H](CC1CCCCC1)OC(=O)[C@H]1CCCN1C#N 28340494 ITTAWEBSDKYKKK-GXTWGEPZSA-N 264.369 2.834 0 1 CFAF CCCC[C@@H]1CNCCN1CCc1cccc(F)c1 61711133 ZXIZBGPIFSHIOD-MRXNPFEDSA-N 264.388 2.832 0 3 CFAF CCCCOC(=O)C=Cc1cc(OC)c(O)c(OC)c1 2356640963 ADHXGGDIBVABLZ-UHFFFAOYSA-N 280.320 2.766 0 1 CFAF CC1=C2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@](C)(O)[C@@]2(C)CC1 2356735874 KPANTTZNWNQAGE-RPERQONWSA-N 264.365 2.826 0 1 CFAF O[C@@]1(Cn2cncn2)CCC[C@H]1Cc1ccc(Cl)cc1 34202722 QEEHVPIONMGPLD-DZGCQCFKSA-N 291.782 2.705 0 1 CFAF O=C(O)[C@@]1(CCCCCCOc2ccccc2)CO1 95564449 KAJMZHFWECEDGM-OAHLLOKOSA-N 264.321 2.870 0 1 CFAF Nc1nnc(SCc2coc3ccccc3c2=O)s1 96911297 OUSQDDFKSYHNKT-UHFFFAOYSA-N 291.357 2.519 0 1 CFAF COc1ccc([C@@H]2CN3CCCC[C@H]3CO2)cc1OC 299846636 IOIJULJCADKGNK-BBRMVZONSA-N 277.364 2.630 0 1 CFAF COc1ccc(C[C@H](C)c2nc3cncnc3[nH]2)cc1OC 587927390 TZOYPXZKHKQDFP-JTQLQIEISA-N 298.346 2.716 0 1 CFAF OCc1ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c2c1 586895736 WNHWOVQBSXZEHN-UHFFFAOYSA-N 286.375 2.640 0 1 CFAF Nc1ccc(F)c(Cc2nc3cccc(C(=O)O)c3[nH]2)c1 587141400 QMYPIXUVVCGBLL-UHFFFAOYSA-N 285.278 2.573 0 1 CFAF COc1cc2ncn(-c3ccccc3)c2cc1C(=O)O 13798328 KUEFIOPBQNNRCA-UHFFFAOYSA-N 268.272 2.732 0 1 CFAF COc1cc2oc(=O)ccc2cc1C[C@H](O)C(C)(C)Cl 14650330 KSTOEGFAGCVBGN-ZDUSSCGKSA-N 296.750 2.722 0 1 CFAF O=C(Oc1ccc(-n2c(O)ccc2O)cc1)c1ccco1 169687546 JPROTIPZMILMDA-UHFFFAOYSA-N 285.255 2.701 0 1 CFAF CN1CCc2oc3ccc(Br)cc3c(=O)c2C1 1857651018 RHJVOVPFZIKCMT-UHFFFAOYSA-N 294.148 2.543 0 1 CFAF O=C1C[C@]23C=CCN4CC[C@H]5c6ccccc6N1[C@]42[C@@H]5CC3 2356395485 QIGPQWKGPHTVIF-LZBRWLDZSA-N 292.382 2.889 0 1 CFAF C[C@]1(O)CC[C@@H]2[C@H](C=C[C@@]3(C)OC(=O)CC[C@@]23C)C1 2356334930 PVEDCQZJTQKQDQ-DMVVEVTLSA-N 264.365 2.826 0 1 CFAF O=c1c(-c2ccccc2O)coc2cc3c(c(O)c12)OCO3 6095531 ITRQVDOUFMSYII-UHFFFAOYSA-N 298.250 2.600 0 1 CFAF CCC1=C2[C@@H]3C=C(C)C[C@]2(NC1)c1ccc(O)nc1C3 100789544 LWKCOSFHDJDLBU-PXAZEXFGSA-N 268.360 2.815 0 1 CFAF C[C@@H]1C(=O)C[C@@]23CCN(C)[C@H](Cc4ccc(O)cc42)[C@@H]3[C@H]1C 101469738 UXGGGGCNEATCRR-MSIVRNRISA-N 299.414 2.751 0 1 CFAF CCOC(=O)[C@@H]1Nc2c(OC)cccc2[C@H]2OCCC[C@@H]21 64503919 PVCMGXZBXILJJN-KCPJHIHWSA-N 291.347 2.520 0 1 CFAF COc1cc(C=CC(=O)NCCc2ccccc2)ccc1O 2356484346 QSHSRHRDAVWDHM-UHFFFAOYSA-N 297.354 2.773 0 1 CFAF COC1=CCC2=C(CCN[C@@H]2Cc2ccccc2O)C1 64303492 FVEYYRFWCXVVTP-MRXNPFEDSA-N 271.360 2.917 0 1 CFAF Oc1ccc(C2=c3ccc4n3[C@H]3C(=CC=4)CCCC[C@H]23)cc1 26472313 XSLAYQRDXPIQLV-XLIONFOSSA-N 289.378 2.858 0 1 CFAF COc1ccc(-c2csc([C@H](O)c3cccnc3)n2)cn1 61905510 ZAKAQJUMGYVUOW-CQSZACIVSA-N 299.355 2.690 0 3 CFAF O=C(O)Cc1cccc(-c2ccn(C(F)F)c(=O)c2)c1 45394507 KRTMRSASIKEPSY-UHFFFAOYSA-N 279.242 2.538 0 1 CFAF C[C@H]1CC[C@H]2C(C)(C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32O4 195249849 DETKYIOHRCKRIT-WESHHMMFSA-N 280.364 2.853 0 1 CFAF Oc1ccc2[nH]c3ncnc(N4CCCCC4)c3c2c1 141627125 BFCLVCAYEHBZEP-UHFFFAOYSA-N 268.320 2.807 0 1 CFAF CCCOc1ccc(C(=O)Nc2cnccn2)cc1 96273394 MCXOPVZSCBGJIY-UHFFFAOYSA-N 257.293 2.518 0 1 CFAF COc1cccc(-c2nc3cc4c(cc3[nH]2)OCCO4)c1O 386414319 NXIAOPILZOKTPB-UHFFFAOYSA-N 298.298 2.715 0 1 CFAF COc1cccc(CN2CCCCC2)c1OC(=O)N(C)C 299824816 CBTQZCSSWGIRFN-UHFFFAOYSA-N 292.379 2.742 0 1 CFAF COc1cc2c(cc1OC)[C@@H]1[C@H](CCCN1C(C)=O)C2 299829363 JLHICCFTKKWGMM-BZNIZROVSA-N 275.348 2.560 0 1 CFAF C[C@@]1([C@H]2CCNC2)CC(=O)c2ccc3c(c2O1)CCCC3 587523224 HLVBJVLNVFJBQN-UGSOOPFHSA-N 285.387 2.899 0 1 CFAF NC(=O)c1cccc2nc(C3(F)CCCCC3)[nH]c12 587132224 NJRORFVRZOPSBJ-UHFFFAOYSA-N 261.300 2.791 0 1 CFAF CCc1ccc2nc([C@@H](O)C3CCOCC3)[nH]c2c1 586913782 ONUGUZOATIPRPZ-AWEZNQCLSA-N 260.337 2.585 0 1 CFAF COc1cc(C)c(N)c(-c2nc3cc(OC)ncc3[nH]2)c1 587249963 QIJCZBDQDZIJEI-UHFFFAOYSA-N 284.319 2.533 0 1 CFAF CC1(C)OC(=O)C[C@H]1c1nc2cc(F)cc(F)c2[nH]1 586909749 MASQEFSMPLQUCY-ZETCQYMHSA-N 266.247 2.650 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cccnc1)[C@@H](C2)C3=O 587437029 VOLRQTFGOVJSJJ-LRDDRELGSA-N 267.284 2.579 0 1 CFAF Fc1cccc([C@H]2C[C@H]2c2nc3cnncc3[nH]2)c1 587161648 PDFRWDXMSZAUJV-GHMZBOCLSA-N 254.268 2.763 0 1 CFAF C[C@@H]1CC=CC[C@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587971001 QHUWWRHHHBOQCN-NXEZZACHSA-N 283.331 2.964 0 1 CFAF Nc1cccc(O)c1-c1nc2cc(Cl)ncc2[nH]1 587251070 XKXFYXBLADMVHR-UHFFFAOYSA-N 260.684 2.566 0 1 CFAF COc1cc(C)c(N)c(-c2nc3cncc(C)c3[nH]2)c1 587250519 XVXPACKCWJFDIS-UHFFFAOYSA-N 268.320 2.833 0 1 CFAF Cc1cccc2c1NCC[C@@]21NCCc2ccc(O)cc21 963329776 TVGAIWXYVHLLMK-GOSISDBHSA-N 280.371 2.906 0 1 CFAF O=C(c1ccc(O)cc1)c1c[nH]c2ccc(O)cc12 200349959 QGTNVAUOLUIKQO-UHFFFAOYSA-N 253.257 2.810 0 1 CFAF COCO[C@@H]1C=CCCCC#C[C@H](C)C(=O)CC1 254074083 BWLLOUVOLSIEOO-UONOGXRCSA-N 250.338 2.704 0 1 CFAF O=C(O)c1cc(CCc2ccc(O)cc2)cc(C(=O)O)c1 1772582381 HKKOAAHQDPUJDW-UHFFFAOYSA-N 286.283 2.574 0 1 CFAF COc1ccc(CN=c2[nH][nH]c3ccccc23)cc1 1857533908 RCYVQEBSKGJRGV-UHFFFAOYSA-N 253.305 2.606 0 1 CFAF CC(C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccccc1 13446290 INNSVQUJUIUHFT-QGZVFWFLSA-N 288.435 2.808 0 1 CFAF N=C(N)N1Cc2ccccc2CCc2ccccc21 13780662 ZCEQRHBNFDQMRE-UHFFFAOYSA-N 251.333 2.685 0 1 CFAF COc1cccc(CCc2cc(O)c3c(c2)OCO3)c1 14505361 LMMGJKPQYZREFC-UHFFFAOYSA-N 272.300 2.915 0 1 CFAF c1ccc2c(c1)CCN=C2NCCc1ccc2c(c1)OCO2 169328102 GUOGUFNLSWKUJV-UHFFFAOYSA-N 294.354 2.550 0 1 CFAF CC(=O)CCN1CC[C@H]2Nc3ccc(C)cc3[C@H]2C1 169328474 RISCVIOJXGNKSJ-GDBMZVCRSA-N 258.365 2.558 0 1 CFAF COC(=O)c1ccc(-c2cc(F)c(O)c(C=O)c2)cc1 169699659 UFLGIGXYQSKHIU-UHFFFAOYSA-N 274.247 2.797 0 1 CFAF Cn1nc(-c2ccon2)cc1[C@H]1COC2(CCCCC2)O1 1857596461 JTULIZPEMDPFMH-CQSZACIVSA-N 289.335 2.823 0 1 CFAF Cc1ccccc1C1=CC(NC(C)(C)C)=NCCN1 101099187 WFQHOINSWLZFOC-UHFFFAOYSA-N 257.381 2.726 0 1 CFAF CC(=O)[C@@H]1C(=O)N(c2ccccc2)N=C1c1ccccc1 101975997 CXINPGCDHACUOD-HNNXBMFYSA-N 278.311 2.643 0 1 CFAF O=C1N=C(NC23CC4CC(CC(C4)C2)C3)OC12CCCC2 28824001 AWKGSDHAFGPBIM-UHFFFAOYSA-N 288.391 2.770 0 1 CFAF OC1=C[C@H](O)C2=CC(O)=C(c3ccccc3)OC2=C1 2356328987 OJVQVNFDMCMPAU-LBPRGKRZSA-N 256.257 2.570 0 1 CFAF COc1cc2c(cc1O)CC[C@@H](C(=O)Nc1ccccc1)O2 28473564 JXCMRGWJFGLXJJ-AWEZNQCLSA-N 299.326 2.733 0 1 CFAF O=c1c2cc(Cl)ccc2nc2n1N[C@@H](c1ccccc1)C2 29466579 CODWOHMXPUSXMV-CQSZACIVSA-N 297.745 2.891 0 1 CFAF O=C(Cc1ccc(Cl)cc1)OCCCc1c[nH]cn1 29400745 PMTLCVMWLUXDOJ-UHFFFAOYSA-N 278.739 2.782 0 1 CFAF C[C@@]12Cc3ccccc3[C@@H](CN1)[C@@H](O)c1ccccc12 28759074 KPCFBUXWRZXQIW-NJAFHUGGSA-N 265.356 2.878 0 1 CFAF COC(=O)C=Cc1oc(CCCCC(=O)OC)c(C)c1C 2356466303 AFLMTSRLMDIJJL-UHFFFAOYSA-N 294.347 2.968 0 1 CFAF CCCC(=O)N(C(=O)CCC)c1onc2c1CCC2 28337075 ZXZNIVVDRYGPFO-UHFFFAOYSA-N 264.325 2.623 0 1 CFAF CCN(CC)CC(CN(CC)CC)NCc1ccccc1 66078336 CYXIETVLEOZWHR-UHFFFAOYSA-N 291.483 2.828 0 1 CFAF CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 84672005 OANBYDFPBWKVGI-SFHVURJKSA-N 297.398 2.907 0 1 CFAF Cc1nccc2c3cc4c(cc3n(CCCCN)c12)OCO4 84602651 LGWCTYRTABVWOH-UHFFFAOYSA-N 297.358 2.966 0 1 CFAF CCC[C@H](C)Nc1nc(N2CCSCC2)ncc1C 82201952 ONUBKFGSNHFNNE-LBPRGKRZSA-N 280.441 2.939 0 1 CFAF COc1ccc(-c2cccc3c2CC(=O)[C@@H](N)CC3)cc1 473083217 NGWUMXOIXJFYMK-KRWDZBQOSA-N 281.355 2.747 0 1 CFAF COc1ncc(F)cc1-c1nc2nc(Cl)ccc2[nH]1 587176074 LQYMIODJHSFSHS-UHFFFAOYSA-N 278.674 2.821 0 1 CFAF C[C@H](CCc1nc2c(Cl)ccnc2[nH]1)CC(=O)O 587961303 RXGWDXASFLJCBU-SSDOTTSWSA-N 267.716 2.655 0 1 CFAF COc1ccc(Cc2nc3cc(F)cnc3[nH]2)c(F)c1 587148148 CGUDZIQBUUOMOT-UHFFFAOYSA-N 275.258 2.836 0 1 CFAF FC(F)(F)OCc1nc2cc3c(cc2[nH]1)OCCCO3 587123992 KBNFUPLSZKQSOJ-UHFFFAOYSA-N 288.225 2.761 0 1 CFAF Cc1cncc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c12 586904474 UKLQEIOZYZCAMZ-GXTWGEPZSA-N 265.316 2.835 0 1 CFAF Cc1nc2n(c1/C=C1/C(=O)Nc3ccccc31)CCS2 5800879 RUVXASPVCVHMNH-DHZHZOJOSA-N 283.356 2.790 0 1 CFAF CC(=O)O[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1 14452736 STKVKMWPEKULAN-IAGOWNOFSA-N 282.295 2.935 0 1 CFAF CCc1c(O)n(C2CCCCC2)c(SC)nc1=O 103570726 MRVFEANLKIRQLZ-UHFFFAOYSA-N 268.382 2.738 0 1 CFAF C[C@@H]1CC(=O)C[C@@]23CCN(C)[C@H](Cc4ccc(O)cc42)[C@@H]13 100802437 QTMXUFYDRJEECW-WAFHWIMBSA-N 285.387 2.505 0 1 CFAF Cc1ccc([C@@H](O)c2ccccc2CN(C)C)c(N)c1 28569906 ZXSCHWNAHIGTOP-KRWDZBQOSA-N 270.376 2.721 0 1 CFAF Fc1ccccc1Cn1cnc2c(N3CCCC3)ncnc21 25968235 YJZXZDMHKVLZLH-UHFFFAOYSA-N 297.337 2.614 0 1 CFAF Cn1ccc2c(N3CCOCC3)cc3c(c21)[C@H]1CC[C@@H]3O1 95567169 PCMALLUWAUCOEY-LSDHHAIUSA-N 284.359 2.921 0 1 CFAF Cc1ccc([C@H]2SCC(=O)N2C2=CCCN(C)C2)cc1 95565907 HQFUVVNDVHPTLL-MRXNPFEDSA-N 288.416 2.788 0 1 CFAF CCCOCCCCCOc1cccc(C(N)=O)c1 96923062 JONUOXYYZLRBTI-UHFFFAOYSA-N 265.353 2.761 0 1 CFAF O=C1c2ccccc2O[C@@H](c2ccccc2)[C@@H]1n1cncn1 96916638 KYGMLGXWKVXIHZ-WBVHZDCISA-N 291.310 2.836 0 1 CFAF CN(C)CC[C@H](c1ccc(F)cc1)N1CCCC1 299818817 ARIJCTMJQZWJNV-OAHLLOKOSA-N 250.361 2.914 0 1 CFAF c1ccn2nc3c(N[C@H]4C[C@@H]5CC[C@H]4C5)ncnc3c2c1 653737485 KQNFMYWDXNSOHC-WOPDTQHZSA-N 279.347 2.878 0 1 CFAF COc1cncc(N)c1-c1nc2cc(SC)ccc2[nH]1 587254115 MALBSVWAJSVPRG-UHFFFAOYSA-N 286.360 2.938 0 1 CFAF Clc1cncc2nc(Cc3csc4nccn34)[nH]c12 587039973 ICPYUAXZILEULV-UHFFFAOYSA-N 289.751 2.911 0 1 CFAF N[C@H](N=O)c1ccc2nc([C@@H]3CCCC(=O)CC3)[nH]c2c1 586883647 CUKBDQATNNXDLE-YMTOWFKASA-N 286.335 2.903 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](c1cncn1C)CC2=O 587471212 OWUDODXILNMKQW-HNNXBMFYSA-N 286.331 2.785 0 1 CFAF COC(=O)CC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521787 CLHYBQWBPFFOTD-LBPRGKRZSA-N 288.343 2.852 0 1 CFAF Cc1cc2[nH]c(-c3c(N)cccc3O)nc2c(C)n1 587250694 PUQYZTMRBJVCQM-UHFFFAOYSA-N 254.293 2.530 0 1 CFAF Cn1cc2c(n1)CCc1c-2nc2cccc3c2c1CC3 587211216 NHXVJBSBYWLTQC-UHFFFAOYSA-N 261.328 2.833 0 1 CFAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cccnc3[nH]2)cc1 587935908 JUYSXNURBBKTBI-YGRLFVJLSA-N 283.331 2.804 0 1 CFAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)C(=O)O)N2 958054886 ZIVIYDLAJAONBH-VKDKVYATSA-N 298.389 2.525 0 1 CFAF O=C(c1ccc(F)c(F)c1)[C@H]1NCCc2ccc(O)cc21 963354662 XURWHVWIUIUOHT-HNNXBMFYSA-N 289.281 2.740 0 1 CFAF Nc1ccc(C(=O)C[C@H](C(=O)O)c2ccccc2)cc1 1566236 OIMPBLAMMPACFY-AWEZNQCLSA-N 269.300 2.710 0 1 CFAF CC(=CCC[C@H](C)C(=O)O)[C@@H]1CC[C@@](C)(O)[C@@H](OC=O)C1 2356414621 LVQWRRKTHOPOBM-KNCOVGOOSA-N 298.379 2.526 0 1 CFAF CCNCCCCN1N=C2c3ccccc3CC[C@H]2CC1=O 103301578 MSAIEYVQFARRFJ-HNNXBMFYSA-N 299.418 2.575 0 1 CFAF CO[C@@]1(C)CC[C@H]2[C@H](C)CC[C@H]3[C@@H](C)C(=O)N[C@H](O1)[C@H]23 27560310 DXARRUAXLWZAIN-BKOIGALOSA-N 281.396 2.530 0 1 CFAF O=[S@@](Cc1nc2ccccc2n2cccc12)c1ncc[nH]1 28639203 CGJPXYLVSFPMMY-OAQYLSRUSA-N 296.355 2.518 0 1 CFAF CCc1ccccc1Nc1cnccc1NS(C)(=O)=O 49000328 TWEXZJQAVDRTRB-UHFFFAOYSA-N 291.376 2.759 0 1 CFAF COc1cc(O)c(C=O)c2c1C(=O)C[C@@H](c1ccccc1)O2 238770840 ZTVCPNXRAMDBIP-AWEZNQCLSA-N 298.294 2.920 0 1 CFAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccccc3[nH]1)C2 587247368 QKGNJJFFISMYJK-GOSISDBHSA-N 293.370 2.914 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](c1nccn1C)CC2=O 587470570 LKCLPYXMBCPLOH-CQSZACIVSA-N 286.331 2.785 0 1 CFAF CN(C)c1nccc(-n2nc3cc2Oc2ccc(F)cc2-3)n1 587874981 KZKVZLQIFOZXLB-UHFFFAOYSA-N 297.293 2.640 0 1 CFAF Fc1ccc2c(-c3nc4cncnc4[nH]3)coc2c1 587175921 YEZRRNNZKYRFOI-UHFFFAOYSA-N 254.224 2.905 0 1 CFAF COc1cncc2nc(Cc3c(F)cncc3Cl)[nH]c12 587176558 VQXVYWLNUCQFDN-UHFFFAOYSA-N 292.701 2.745 0 1 CFAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cnc(Cl)[nH]c-2n1 587088395 MOYAMTYYUKRVCM-LURJTMIESA-N 299.712 2.708 0 1 CFAF CCOC(=O)[C@H]1CCc2nc3cccc4c3c(c21)CC4 587213115 GABVEQLIVBNGHS-LBPRGKRZSA-N 267.328 2.926 0 1 CFAF COC(=O)c1ccc2nc(-c3ccc(F)c(N)c3)[nH]c2c1 587139494 MCNBFLLEUCKHRX-UHFFFAOYSA-N 285.278 2.738 0 1 CFAF Cc1ccnc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587393919 OIGGJGUNXSDDPJ-HNNXBMFYSA-N 268.316 2.987 0 1 CFAF [O-][n+]1onc2ccc(C=Cc3ccccc3F)cc21 1857622374 CSIUEQHLPFNHFP-UHFFFAOYSA-N 256.236 2.771 0 1 CFAF Cc1ccc(Cl)c(OCCCCN[C@H](C)CO)c1 1857649041 VFIGIMLNNZPCFD-GFCCVEGCSA-N 271.788 2.778 0 1 CFAF COc1c2c(c(OC)c3ccccc13)O[C@H](C(C)(C)O)C2 13374886 UKTMXMPPZPIIND-ZDUSSCGKSA-N 288.343 2.931 0 1 CFAF CC[C@H]1[C@@H]2c3cccn3CCC[C@H]2O[C@]12C=C(C)C(=O)O2 14860057 RPIYYPFSQOPJSX-CRNXPOROSA-N 287.359 2.990 0 1 CFAF CCN1C(=O)[C@H](c2ccccc2)Oc2cc3c(cc21)OCO3 1857754886 SLDCLTXGVNYDKR-INIZCTEOSA-N 297.310 2.902 0 1 CFAF CN(C)C[C@H](O)[C@H](c1ccccc1)c1ccc(F)cc1 39245441 BOOFCMWAWAGGRA-DLBZAZTESA-N 273.351 2.880 0 1 CFAF O=Cc1ccc([C@H](C2CCCC2)[C@@H]2CC[C@]3(O)C[N@]23)cc1 2356358808 XQLWYOLOCMKXIM-CADBVGFASA-N 285.387 2.940 0 1 CFAF Nc1cccc(-c2cncc([C@@H]3C[C@@H]4CC[C@@H]3N4)c2)c1 100580043 WTYKEOIVVOXLGZ-ULQDDVLXSA-N 265.360 2.939 0 1 CFAF CC1(C)Oc2ccc3ccc(=O)oc3c2C(N=O)=C1O 100654287 QYIPMAJTSJYTHL-UHFFFAOYSA-N 273.244 2.957 0 1 CFAF Oc1c2ncnc-2c2cccnc2n1-c1ccccc1 100643145 YIHUNTKHGXXVQD-UHFFFAOYSA-N 262.272 2.626 0 1 CFAF Cc1c(C)n(CCCc2ccccc2)c2[nH]c(=O)oc(=O)c12 28092308 PYQUAIAWLXMNJU-UHFFFAOYSA-N 298.342 2.532 0 1 CFAF CC[C@@]1(CC(=O)O)OCCc2c1[nH]c1ccc(F)cc21 39198727 PMKQPJYIXMBXBS-HNNXBMFYSA-N 277.295 2.960 0 1 CFAF Oc1ccccc1C[C@@H](c1ccccc1)N1CCNCC1 216238309 SBKGLFTUHHUCII-KRWDZBQOSA-N 282.387 2.581 0 1 CFAF in-vitro C(=C/[C@H]1C[C@@H]1NCC1CCNCC1)\c1ccccc1 1911580410 HNODLNCWVUEPIF-SGUAIBKKSA-N 256.393 2.678 0 1 CFAF CO[C@H]1c2ccccc2O[C@H](c2ccc(O)cc2)[C@H]1O 238731961 WEUGDDZMGUAOFB-OAGGEKHMSA-N 272.300 2.574 0 1 CFAF CCCCCC=c1nc(O)c(=CCCCCC)nc1O 253681636 BTBQZJAURFMVDK-UHFFFAOYSA-N 278.396 2.609 0 1 CFAF Cc1ccc(N2C(=O)N/C(=C\c3ccc(O)cc3)C2=O)cc1 653802195 KGYMUDGRWJOVCO-GDNBJRDFSA-N 294.310 2.798 0 1 CFAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOC2 587618259 SUYGZDKBSUSHTJ-PBHICJAKSA-N 298.294 2.513 0 1 CFAF Oc1ccc(C2(c3nc4cnccc4[nH]3)CCOCC2)cc1 586913999 YEXZXZADDUIYBS-UHFFFAOYSA-N 295.342 2.760 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(CCSC)[C@@H](C2)C3=O 587453833 ULVOQKAWDXMJRO-NHYWBVRUSA-N 278.373 2.954 0 1 CFAF Cc1ccc2nc(-c3cc(CO)ccc3F)[nH]c2n1 587141171 YPCIMPRGKAGSQF-UHFFFAOYSA-N 257.268 2.565 0 1 CFAF COc1cc2c3c(c1)O[C@H](CCCC[C@@H](C)O)[C@@H](C2)C3=O 587455957 RJVBZPVLVMYIEJ-LERXQTSPSA-N 290.359 2.752 0 1 CFAF CCCc1c(O)ccc2c1O[C@H]([C@H]1CCCO1)CC2=O 587494055 WTSCZQULJJNKMJ-CABCVRRESA-N 276.332 2.858 0 1 CFAF COc1ccc(/C=C/Cc2nc3cnncc3[nH]2)c(OC)c1 587928444 CSBQZBVTMPJMFL-ONEGZZNKSA-N 296.330 2.626 0 1 CFAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cnncc2[nH]1 587194742 AOCGPINRVYYMGQ-JTQLQIEISA-N 267.336 2.571 0 1 CFAF O[C@H]1C=C[C@]2(C1)c1ccsc1CCN2Cc1cccnc1 962997906 MVDPGNSBPKPQSL-YOEHRIQHSA-N 298.411 2.718 0 1 CFAF CC(C)[C@@H](O)[C@H](N)c1nc2cc(C(C)(C)C)ccc2[nH]1 147571588 XOHUNAFRBUTASI-UONOGXRCSA-N 275.396 2.877 0 1 CFAF C[C@H](CO)CC(=O)C[C@@]1(C)CC[C@H](c2ccoc2)O1 5641400 LKVKWNDXOWODLO-NILFDRSVSA-N 266.337 2.868 0 1 CFAF endogenous,in-man CCNC(=O)Nc1n[nH]c2ncc(-c3ccccc3)cc12 13489641 HXYFPOBULYHGFW-UHFFFAOYSA-N 281.319 2.766 0 1 CFAF COc1cccc2[nH]c(CNC(=O)C3CCC3)cc12 13494160 BDBFRVSIZCSSBS-UHFFFAOYSA-N 258.321 2.593 0 1 CFAF C[S@@](=O)CCCCCCCCCCCNC(N)=O 15122101 PWRFVWHPHARKTM-SFHVURJKSA-N 276.446 2.544 0 1 CFAF C[C@H]1CCC[C@H](n2cnc(C[C@@H](CCCN)C(=O)O)c2)C1 169698757 RUGXMJXNVBQNEE-GUTXKFCHSA-N 293.411 2.617 0 1 CFAF CN(C)C(=O)CCCCCc1cccc2cncn12 29409925 LIJBTTAKJSYURT-UHFFFAOYSA-N 259.353 2.525 0 1 CFAF O=C(NC1CCCCCC1)[C@@H]1CCC(=O)N1C1CCCC1 219972 OZWOSHKPEUUSLM-HNNXBMFYSA-N 292.423 2.759 0 1 CFAF CC(C)NC(=O)[C@@H](C)n1cccc1C(=O)c1ccccc1 4110987 QZBBQHMIZYJQED-CYBMUJFWSA-N 284.359 2.805 0 3 CFAF CC(=O)CC[C@@H]1OC(=O)[C@@H]2[C@H](C(C)C)CC[C@@]12C 2356385168 UKWYLUIBBUASGL-ABHRYQDASA-N 252.354 2.970 0 1 CFAF O=C(N[C@@H]1CCCc2ccccc21)c1cc(O)ccc1O 114429903 CHQZTZAAWGSMSD-OAHLLOKOSA-N 283.327 2.905 0 1 CFAF Cc1ccc2c(c1)[C@H](N1CCCCC1=O)[C@H](O)C(C)(C)O2 26819506 INRLVAIOVCOPHJ-HOTGVXAUSA-N 289.375 2.581 0 1 CFAF COc1cc2c(cc1OC)C(C)=[N+]([O-])[C@@H](c1ccco1)N2 28768738 KYRBMPOMUGLVHR-HNNXBMFYSA-N 288.303 2.740 0 1 CFAF O=[S@](Cc1nc2ccccc2n2cccc12)c1ncc[nH]1 28639206 CGJPXYLVSFPMMY-NRFANRHFSA-N 296.355 2.518 0 1 CFAF C/C=C1\[C@@H]2C=C(C)C[C@@]1(OC(C)=O)c1ccc(=O)[nH]c1C2 26172223 NQDKDKJCFOXTQI-JDESYLPWSA-N 285.343 2.602 0 1 CFAF Fc1ccccc1CN1CCC[C@H](NC2CCC2)C1 39557595 URPVXMJOQFMLCQ-HNNXBMFYSA-N 262.372 2.932 0 3 CFAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(C)c(F)c1)N2 36270811 QDZIBQWKRRRXAL-UXOAXIEHSA-N 277.339 2.531 0 1 CFAF CC1=NC(S[C@@H](C(=O)O)C2CCCCC2)=NC(=O)C1 72136948 ZFAKWIWLINORBW-LLVKDONJSA-N 282.365 2.500 0 1 CFAF Cc1nc2c3ccccc3nc(SCc3ncc[nH]3)n2n1 71341432 UOHYYEOWBSMAGB-UHFFFAOYSA-N 296.359 2.601 0 1 CFAF COc1cc(C=O)ccc1C1=NO[C@@H](c2ccncc2)C1 96142525 JIJBSLWQDGHQQD-OAHLLOKOSA-N 282.299 2.768 0 1 CFAF Cc1ccc([C@@H]2N(c3nccs3)C(=O)[C@@H]3CCCN32)cc1 251469488 KJCFWXMQZBNJJD-KBPBESRZSA-N 299.399 2.961 0 3 CFAF COc1ccc(-c2c(CO)n(C)c3ccccc23)cn1 299823276 UDTGBTGCAFBFHG-UHFFFAOYSA-N 268.316 2.741 0 1 CFAF CC(C)(SCC(=O)O)c1nc2cc(Cl)ncc2[nH]1 586961035 ZSUXUDBIEJACOS-UHFFFAOYSA-N 285.756 2.664 0 1 CFAF Fc1ccc2nc(-c3cnc(Cl)nc3)[nH]c2c1F 587085854 KWLPHPXAESDNKY-UHFFFAOYSA-N 266.638 2.952 0 1 CFAF [C-]#[N+]c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587554123 IZTDKEYXHZBIBK-UHFFFAOYSA-N 264.244 2.654 0 1 CFAF N=c1[nH]cncc1-c1nc(-c2ccc(F)cc2)cs1 587922380 CUSMBUAWCCANIZ-UHFFFAOYSA-N 272.308 2.819 0 1 CFAF CC(C)[C@@](C)(O)c1nc2cnc3ccccc3c2[nH]1 586889278 MBKPTAABOJWXDY-OAHLLOKOSA-N 255.321 2.975 0 1 CFAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccnc(O)c3[nH]2)cc1 587934409 DLLHUSCAABONIO-OTYXRUKQSA-N 299.330 2.509 0 1 CFAF CCCc1sc(=N)[nH]c1-c1nc2c(C)nccc2[nH]1 587012621 DJARVXHNJWRJFK-UHFFFAOYSA-N 273.365 2.755 0 1 CFAF COc1c(F)cc(-c2nc3c(Cl)ncnc3[nH]2)cc1F 587135212 VDQIQRGTJVYEKE-UHFFFAOYSA-N 296.664 2.960 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N)cc1)[C@@H](C2)C3=O 587433484 RAFUTZCNEBBCTP-KSSFIOAISA-N 295.338 2.940 0 1 CFAF Cc1cc2nc(-c3cnc(N(C)C)nc3C)[nH]c2cc1F 587194202 AOYIVSYHAGWOJK-UHFFFAOYSA-N 285.326 2.842 0 1 CFAF Cc1ccc2nc(-c3c(N)cccc3C(=O)O)[nH]c2c1 587249160 CRPXTHPDWOPRGC-UHFFFAOYSA-N 267.288 2.819 0 1 CFAF OCCc1nc2cccc(OCc3ccccc3)c2[nH]1 586894553 LINDKULDMFYTGR-UHFFFAOYSA-N 268.316 2.677 0 1 CFAF C[C@@H](OC[n+]1ccn(C)c1CN=O)C1CCCCC1 169712999 INKUYYAFGSWOCM-GFCCVEGCSA-N 266.365 2.522 0 1 CFAF CC1=CC2=c3cccc(C)c3=N[C@@H](c3sccc3C)N2N1 104008894 VFQXSADKHSWLHE-QGZVFWFLSA-N 295.411 2.529 0 3 CFAF COC(=O)C/C=C1/c2ccc3c(c2[C@@H](OC)[C@@H]1C)OCO3 102888448 ZQDNTSRZBRBSHA-LEIWQCLGSA-N 290.315 2.699 0 1 CFAF COc1ccccc1CNC(=O)c1occc(=S)c1O 59114894 RWNUDGCELXFKNV-UHFFFAOYSA-N 291.328 2.653 0 1 CFAF Cc1coc2c1[C@@H](O)[C@]1(C)[C@H](CC[C@@H](O)[C@@H]1C)C2 100823481 JWKRZHJQYDUUNQ-ILYYPIBPSA-N 250.338 2.591 0 1 CFAF endogenous,in-man COc1cccc2c1[C@@]13CCN(C)[C@@H](C2)[C@@H]1CCC(=O)C3 29223539 IADSKKCDIYLTIM-RLFYNMQTSA-N 285.387 2.562 0 1 CFAF CCCCn1c(=O)c2nc(C)n(C)c2c2ccccc21 27328163 FCWDOJWTKFKBST-UHFFFAOYSA-N 269.348 2.997 0 1 CFAF CC(C)=C[C@@H]1[C@@H](COC(=O)[C@@H](O)C(C)C)C1(C)C 2356408655 LMUFVISGPNZNCI-UPJWGTAASA-N 254.370 2.785 0 1 CFAF COc1ccc2c3c(n(CCCN(C)C)c2c1)C(C)=NCC3 40410249 VUKPSBWDTNCHJB-UHFFFAOYSA-N 299.418 2.967 0 1 CFAF C[C@@H](Oc1ccc(Cl)cc1)C(=O)OC1CCN(C)CC1 29412859 YVNYWNISSSGWDD-LLVKDONJSA-N 297.782 2.745 0 1 CFAF CN1Cc2ccccc2[C@@H](c2ccc3ccnn3c2)C1 35898757 XMNGPUYPQMMGIP-QGZVFWFLSA-N 263.344 2.912 0 1 CFAF CCCCC[C@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 137142004 DFGXCGQPCWUBML-XHDPSFHLSA-N 267.369 2.690 0 1 CFAF Cc1ccc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)nc1 139757936 DWYCPTFRHGCWDI-HNNXBMFYSA-N 296.374 2.780 0 1 CFAF CC(C)CC(=O)C[C@]1(C)CC[C@H]([C@H](C)CCO)O1 257496001 NQUGBBCWSQRMST-YUELXQCFSA-N 256.386 2.948 0 1 CFAF endogenous,in-man CC(C)N(C)C(=O)n1cnc(S[C@@H]2C[C@H]3CC[C@@H]2C3)n1 473088061 HSOPTWZRMMCWHR-QJPTWQEYSA-N 294.424 2.867 0 1 CFAF O=S(=O)(c1ccc(Cl)cc1)n1ncc2ccccc21 137038588 HQYVCDKPYHJSML-UHFFFAOYSA-N 292.747 2.927 0 1 CFAF Cc1c(-c2nc3cc(CO)ccc3[nH]2)oc2c1[C@H](O)CCC2 586905390 NLMGTCARLVZCKI-CYBMUJFWSA-N 298.342 2.993 0 1 CFAF COc1ccc2nc(-c3cc(CO)ccc3F)[nH]c2c1 587141132 XQMTWJPSSHUMSW-UHFFFAOYSA-N 272.279 2.870 0 1 CFAF Oc1nc(S)nc2[nH]c(/C=C/c3ccsc3)nc12 587025945 PQXOECKMCJXMPQ-OWOJBTEDSA-N 276.346 2.579 0 1 CFAF Cc1cc2nc([C@H](O)c3cccc(O)c3)[nH]c2cc1C 586888039 AWPGQXIDJKUJPG-OAHLLOKOSA-N 268.316 2.967 0 1 CFAF O[C@H](c1nc2ccc3c(c2[nH]1)CCCC3)C1CCOCC1 586916766 OODZTUUSYWREQW-INIZCTEOSA-N 286.375 2.902 0 1 CFAF Cc1cccc2nc(-c3nc(Cl)cnc3N)[nH]c12 587086029 CFQRCMHIGOZRHK-UHFFFAOYSA-N 259.700 2.564 0 1 CFAF CC(C)C[C@H](N)COc1ccccc1-c1ccn(C)n1 1772632983 XOOMGEQNXORMFY-ZDUSSCGKSA-N 273.380 2.839 0 1 CFAF COc1c(O)ccc(C2=Cc3ccc(O)cc3OC2)c1O 14758911 NKZJSYQCTOOYEV-UHFFFAOYSA-N 286.283 2.745 0 1 CFAF CCN1C(=O)N[C@H](CCc2ccccc2)[C@H](C(C)=O)[C@@H]1C 169331468 ZGEBMMSVPHZVMT-MAZHCROVSA-N 288.391 2.627 0 1 CFAF CO[C@H]1CCCc2nc(Nc3ncccn3)sc21 1857766420 ZHNVWCLEAPDNCW-VIFPVBQESA-N 262.338 2.701 0 1 CFAF COC1=C[C@H](O)C=C[C@@H]1CCCc1ccc(O)cc1 2356398505 TZHCDEGPZOHNRO-DZGCQCFKSA-N 260.333 2.792 0 1 CFAF C[C@@H]1CC(=O)[C@@H]2[C@H](C=C[C@]3(C)OCCC(=O)[C@@]23C)C1 2356398956 ITWYWAQNTCPFOM-WZLNRYEVSA-N 262.349 2.542 0 1 CFAF COC(=O)[C@@H]1[C@@H](Cc2ccccc2)C[C@@H]2CC[C@H]1N2C 4424953 YHWZJYKIOUHJGH-CAOSSQGBSA-N 273.376 2.501 0 1 CFAF CN(C)CCc1c[nH]c(-c2cccc(Br)c2)n1 26575227 VLYOQBNASITWKA-UHFFFAOYSA-N 294.196 2.943 0 1 CFAF O=C1Oc2cccc(C(=O)O)c2N/C1=C\c1ccccc1 100302186 INMSMQQFIAUCNQ-XFXZXTDPSA-N 281.267 2.757 0 1 CFAF in-vitro CC1=C[C@@H]2OC(=O)[C@H](C)[C@H]2CCC(CO)=CCC1 2356674408 HFQLMAXPTJTMQQ-BNOWGMLFSA-N 250.338 2.603 0 1 CFAF COC(=O)c1cccc2c3c(c(C(C)C)cc12)C(=O)NC3=O 45261102 IAZWXWRUUAZICU-UHFFFAOYSA-N 297.310 2.633 0 1 CFAF Nc1nccc(/C=C/c2[nH]ncc2-c2ccccc2)n1 40425427 CXIBUVKMLURGQP-VOTSOKGWSA-N 263.304 2.619 0 1 CFAF Cc1[nH]cc2c(=O)n(Cc3ccc(Cl)cc3)ncc12 95590871 RMEOIXAKATYZBI-UHFFFAOYSA-N 273.723 2.735 0 1 CFAF CN(C)CC[C@H](c1ccc(Cl)cc1)N1CCOCC1 148952050 ZGHQVNYQNYKDCM-OAHLLOKOSA-N 282.815 2.665 0 1 CFAF COC[C@H]1CSC(N)=N[C@]1(C)c1ccc(F)cc1F 299866758 WRFZKUFJPBAFHG-SDBXPKJASA-N 286.347 2.504 0 1 CFAF CN1C(=O)/C(=C/C(=O)Nc2ccccc2)c2ccccc21 299854981 ATHUUFDFKXVNDV-SDNWHVSQSA-N 278.311 2.685 0 1 CFAF COC(=O)c1ccc2nc(C[C@@H]3CCC(=O)[C@H]3C)[nH]c2c1 587963841 UJUPCEPYCSNGNQ-UWVGGRQHSA-N 286.331 2.507 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](c1ccn(C)n1)CC2=O 587476125 PJMCRBBVGKKHFU-HNNXBMFYSA-N 286.331 2.785 0 1 CFAF CCO[C@@H]1CCCC[C@]12NCCc1c(C(=O)O)cccc12 963133925 UUPGLJBCXVPKRM-NVXWUHKLSA-N 289.375 2.705 0 1 CFAF c1ccc(-c2ncc(NCc3ccco3)n3cnnc23)cc1 1772640863 DVSNFHZKTWDAFV-UHFFFAOYSA-N 291.314 2.996 0 1 CFAF CCN(CC)CCOCCOC(=O)[C@H](C)c1ccccc1 13737824 RFIBKIAEGAGNPH-OAHLLOKOSA-N 293.407 2.692 0 1 CFAF CC(C)=CC[C@@H](O)/C(C)=C/CCC1=CC(=O)OC1 14452702 HJPSBDPCOCVCKE-IMBBRHANSA-N 250.338 2.913 0 1 CFAF C[C@]12CO[C@@]3(C(=O)Nc4cccnc4)C[C@@H]1CC[C@]32C 169297205 NQOTWEWBZJOSEX-VCOSZWKGSA-N 272.348 2.615 0 1 CFAF CCN(CC)c1cc(NC(=O)c2ccccc2F)ncn1 169304521 QQMZBQRVJLKJLG-UHFFFAOYSA-N 288.326 2.714 0 1 CFAF Cc1ccc2c(c1)N(Cc1ccncc1)C(=O)[C@@H](C)O2 1328374 ONEDFYLJLGRBPQ-GFCCVEGCSA-N 268.316 2.704 0 3 CFAF O=C1[C@@H]2CCCN2c2ncccc2N1Cc1ccccc1 29468457 SAVRZHSWUPNJGV-HNNXBMFYSA-N 279.343 2.597 0 1 CFAF C[C@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1 100081518 MCBPNFWHHNJTGN-NSHDSACASA-N 293.326 2.594 0 1 CFAF CCCC[C@H](O)C=C(C)C=CC=CC(=O)N1CCCC1=O 2356447670 ZYPGADGCNXOUJP-HNNXBMFYSA-N 291.391 2.745 0 1 CFAF C[C@@H]1OC(=O)c2c(O)cc(O)cc2CCCCCC[C@@H]1O 2356589983 ZTMGIUWYKJLEDJ-GWCFXTLKSA-N 294.347 2.511 0 1 CFAF CC(=O)OC(C)(C)[C@@H]1CC[C@@H]2CO[C@]3(C)C=CO[C@@]23C1 2356684578 RYBNUNCKOSXXIO-XOUADPBQSA-N 280.364 2.816 0 1 CFAF CC[C@H](C)C(=O)c1c(O)cc(OCC=C(C)CO)cc1O 2356695110 UAUIMUAUJLWUSY-NSHDSACASA-N 294.347 2.644 0 1 CFAF O=C(c1cc(-c2ccc3[nH]ncc3c2)on1)N1CCCCC1 63540002 ZVZCNOQSOULQEK-UHFFFAOYSA-N 296.330 2.844 0 1 CFAF O=C1NC(=O)/C(=C/c2c(F)c(F)c(F)c(F)c2F)S1 73294418 UGCMWNMPTBMAJF-IWQZZHSRSA-N 295.188 2.706 0 1 CFAF O=P1(c2ccc(C(F)(F)F)cc2)OCCCO1 1911574322 PAEDVQCZUMKCAZ-UHFFFAOYSA-N 266.155 2.961 0 1 CFAF Cc1ccc(C(=O)N2Cc3ccccc3C[C@H]2CO)cc1F 40812339 FIYLBJYGLPFTGY-INIZCTEOSA-N 299.345 2.694 0 1 CFAF CC(=O)CC[C@@H]1C(=O)[C@H](C(C)(C)OC=O)CC[C@H]1C 145412940 PNZFYVRTDIWKNE-KGYLQXTDSA-N 268.353 2.539 0 1 CFAF CCCN1CCO[C@H]2c3cc(O)ccc3SC[C@H]21 253754676 OMQYELRKBALQJF-OCCSQVGLSA-N 265.378 2.650 0 1 CFAF N[C@@H]1C[C@@H]1c1cccc(NC(=O)c2ccccc2)c1 299853514 LWZOXNDYTWHCNC-HUUCEWRRSA-N 252.317 2.754 0 1 CFAF CCOc1ccc(OCC)c(-c2nc3cc[nH]c(=N)c3[nH]2)c1 587777778 DKABRADRBXWOHY-UHFFFAOYSA-N 298.346 2.835 0 1 CFAF Cc1ccc([C@]2(CO)CC(=O)c3cc(C)cc(N)c3O2)cc1 587404412 PUYWKAGMQZHMBL-GOSISDBHSA-N 297.354 2.739 0 1 CFAF FC(F)=C(C[C@H]1CCCN1)c1nc2cccnc2[nH]1 587088888 UKFOARWPGGSVSL-MRVPVSSYSA-N 264.279 2.708 0 1 CFAF Nc1ccnc2[nH]c(-c3ccc4c(c3O)CCCC4)nc12 586899365 ZEKGUUIGHQSLNN-UHFFFAOYSA-N 280.331 2.792 0 1 CFAF Cc1c(-c2cncn2C)[nH]c2c(C(=O)O)cccc12 587637776 IJNSDIGIWAVXSJ-UHFFFAOYSA-N 255.277 2.575 0 1 CFAF CSCC(C)(C)c1nc2cc3c(cc2[nH]1)OCO3 586969442 RTYOIZYQTVNMCB-UHFFFAOYSA-N 264.350 2.932 0 1 CFAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc[nH]c(=N)c2[nH]1 587151732 UCODWRGRGQAUSU-ZETCQYMHSA-N 290.273 2.789 0 1 CFAF Nc1ccc(F)c(Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)c1 587140884 HXDVTQRBLVBZQF-OAHLLOKOSA-N 299.309 2.599 0 1 CFAF CCn1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 587388848 BKCUPFBOZRAAQL-KRWDZBQOSA-N 299.374 2.983 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H]([C@H]1CCOC1)CC2=O 587486616 LZACPLMERAKWRV-ZUZCIYMTSA-N 276.332 2.715 0 1 CFAF Nc1cncc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 587253919 HLBICQALXDKFDV-UHFFFAOYSA-N 279.225 2.621 0 1 CFAF CCCCN1C(=O)/C(=C\CC(=O)O)Nc2ccccc21 957698458 XNJFSSCCVWBPFU-XYOKQWHBSA-N 274.320 2.604 0 1 CFAF CC(C)(C)C(=O)C1=NON(O)/C1=C(/N=O)C(C)(C)C 13127851 ONTVSMMKPSVAQG-CMDGGOBGSA-N 269.301 2.618 0 3 CFAF CCc1cc(/C=C/C(N)=O)cc(C(=O)c2ccccc2)c1 13438177 XMEPOMUQTCQNMC-CMDGGOBGSA-N 279.339 2.979 0 1 CFAF COc1cccc2c1C[C@H]1CCN(CC3CC3)[C@H]1C2 13826557 ZZPRPPYBWAPLEI-ZBFHGGJFSA-N 257.377 2.894 0 1 CFAF CC(C)Cn1c(SCc2ccccc2)nc(N)cc1=O 169350219 VVWDDGJUULKUAK-UHFFFAOYSA-N 289.404 2.774 0 1 CFAF CSc1nc2nc(Cl)c3ccccc3n2n1 200306141 UTGCXMLIYBIRDJ-UHFFFAOYSA-N 250.714 2.653 0 1 CFAF Cc1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)n2ccccc12 3818 SWYJVHXAAFJQBU-GOOCMWNKSA-N 297.402 2.603 0 1 CFAF C[C@H]1CC[C@@H]2C(=O)N(c3ccc(Cl)cc3O)C(=O)[C@@H]2C1 4121808 YEAOZNSIKNZQPW-INTQDDNPSA-N 293.750 2.971 0 1 CFAF CC[C@H](C)[C@@](O)(c1ccc(OC)cc1)c1cncnc1 28767772 IHQMZHLUUURIOZ-BLLLJJGKSA-N 272.348 2.767 0 1 CFAF C[C@]12CC[C@@H]3C[C@@H](CCO)CC[C@@H]3[C@@H]1CC[C@@H]2O 27521622 KJWKZMUYYBEDRU-LGFJLYTPSA-N 252.398 2.972 0 1 CFAF CNC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C 27309569 VVUBAWQWFHXQPO-GBJTYRQASA-N 292.810 2.652 0 1 CFAF c1c[nH]c(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1 28640358 AFRRRQARLYDLTJ-MRXNPFEDSA-N 295.390 2.968 0 1 CFAF CO[C@@H]1CC(=O)CC[C@]1(O)CC=Cc1ccccc1 2356521108 KFMVODFIRJNHQI-HZPDHXFCSA-N 260.333 2.589 0 1 CFAF COc1cc2c(cc1O)-c1cc(O)cc3c1N([CH]2)CC3 2356873995 SKCPUGUPHXBPKQ-UHFFFAOYSA-N 268.292 2.659 0 1 CFAF COC(CN(C)Cc1coc(-c2cccc(F)c2)n1)OC 72183387 QRAWHQXHAHNBSR-UHFFFAOYSA-N 294.326 2.531 0 1 CFAF CNCCNc1nc2ccccc2nc1Cc1ccccc1 34801129 ZHOQMVUHHXOVPS-UHFFFAOYSA-N 292.386 2.852 0 1 CFAF CC(=O)c1ccc2c(c1O)C[C@@H]1[C@@H](C)CO[C@]1(C)O2 34417870 IIAGASOFCPRGKH-IBRIGMFSSA-N 262.305 2.528 0 1 CFAF NC(=S)N1N=C2CCCC[C@H]2[C@@H]1c1cccs1 139900304 OFPYMRKXNCKFBA-LDYMZIIASA-N 265.407 2.895 0 1 CFAF C[C@@H](N)CCCCNc1cc(O)cc2cccnc12 40414128 SPPDUFUXVAOVQC-LLVKDONJSA-N 259.353 2.870 0 1 CFAF CC[C@]1(C)CC(=O)N(Nc2ccc(Cl)cc2)C1=O 40412418 ZAAGRGHMUAODIO-CYBMUJFWSA-N 266.728 2.842 0 1 CFAF Cc1sc2c(NCCN)nc(-c3ccncc3)nc2c1C 223682690 PNFIGOKZDWMIOB-UHFFFAOYSA-N 299.403 2.741 0 1 CFAF CCOC(=O)Cc1nc2c(C(F)(F)F)cccc2[nH]1 148547329 VVEBPMCKUOWICB-UHFFFAOYSA-N 272.226 2.687 0 1 CFAF NC(=O)[C@@H]1CCCc2c(-c3cccc(Cl)c3)n[nH]c21 299863310 KXLUDCACAWEVRV-LLVKDONJSA-N 275.739 2.635 0 1 CFAF CCOC(=O)c1ccc2nc(-c3csc(O)n3)[nH]c2c1 587017652 NGJYNDIKGCCJSO-UHFFFAOYSA-N 289.316 2.569 0 1 CFAF C[C@H](F)[C@H](N)c1nc2c(Cl)cnc(Cl)c2[nH]1 587126795 YXIUQWRPQXXJEZ-UCORVYFPSA-N 263.103 2.623 0 1 CFAF CC(C)[C@H]1CCc2nc3nc(O)nc(O)c3cc2[C@@H]1C 587562195 RKKSUGOZROVGLF-RKDXNWHRSA-N 273.336 2.758 0 1 CFAF CN[C@@H](c1cccnc1)c1nc2c(C)ccc(C)c2[nH]1 587225533 XOGUSWUMWNOJQX-HNNXBMFYSA-N 266.348 2.884 0 1 CFAF Cc1ccc(OCc2nc3cnc(Cl)[nH]c-3n2)cc1 587565413 HJVWLODFEXDZHN-UHFFFAOYSA-N 274.711 2.845 0 1 CFAF Cc1cncc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c12 587117783 LKDKHPDMUSDUMT-UHFFFAOYSA-N 281.241 2.686 0 1 CFAF COc1cccc(CCc2nc3cc(N)c(N)cc3[nH]2)c1 587930416 FLATVMAWGIDLRU-UHFFFAOYSA-N 282.347 2.521 0 1 CFAF CCCc1c(O)ccc2c1O[C@@]1(CCNC[C@@H]1C)CC2=O 587485632 PTQZSZJTJBGFAH-GTNSWQLSSA-N 289.375 2.678 0 1 CFAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cnccc2[nH]1 587042972 OENBDZKBNCFUIL-NSHDSACASA-N 290.392 2.578 0 1 CFAF Cc1cc2[nH]c(C[C@@H]3CCC(=O)[C@H]3C)nc2c(C)n1 587963599 PAKWLMDPGIBGHE-ONGXEEELSA-N 257.337 2.732 0 1 CFAF CCC1([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)COC1 587452020 COHUBBWNCGRSMC-WBMJQRKESA-N 288.343 2.628 0 1 CFAF N[C@H](N=O)c1cccc(Cn2cnc(Cl)c2Cl)c1 957584897 FARVYCMZRJBOML-LLVKDONJSA-N 285.134 2.962 0 1 CFAF COc1ccc(O)c(C(=O)OCc2ccccc2)c1OC 196596402 HKRGBDMRFLWKMB-UHFFFAOYSA-N 288.299 2.766 0 1 CFAF biogenic C[C@@H]1CCC[C@H](n2cnc(C[C@@H](CCCN)C(=O)O)c2)C1 169698756 RUGXMJXNVBQNEE-NFAWXSAZSA-N 293.411 2.617 0 1 CFAF CC(=O)OCC[C@@H]1C(=O)CC(C)(C)C[C@H]2C[C@]21C 166435004 YRRVHASZFWNZLD-YWPYICTPSA-N 252.354 2.971 0 1 CFAF CC[C@@H](C)CNC(=O)c1cn([C@@H](C)c2ccccc2)nn1 203475673 QDCUPKYRXRJDST-OLZOCXBDSA-N 286.379 2.663 0 3 CFAF CC[C@H]1CN1P(=O)(c1ccccc1)N1C[C@H]1CC 4803932 KAEOCOTWIGBXJT-OHJSRPJBSA-N 264.309 2.693 0 1 CFAF CCSC1=NCC(=O)N1c1cc(Cl)ccc1OC 22374 HSHVKHLHWSECAY-UHFFFAOYSA-N 284.768 2.804 0 1 CFAF Cc1[nH]c(C)c(C(=O)O)c1CN[C@@H]1CCCC[C@H]1C 4076055 NUOHPMZIMVCBRT-NOZJJQNGSA-N 264.369 2.998 0 3 CFAF CC1(C)OC(C)(C)c2nc(-c3ccc(N)cc3)nnc21 27554982 HQAJYEDTAWGYSM-UHFFFAOYSA-N 270.336 2.621 0 1 CFAF Nc1ccc(-c2cncc([C@H]3C[C@@H]4CC[C@@H]3N4)c2)cc1 100580102 KEUJFPCKMLEDQK-BBWFWOEESA-N 265.360 2.939 0 1 CFAF FC(F)(F)c1ccn2c(-c3cc(Cl)ncn3)cnc2n1 28569892 XKPNKSWJZIWBKJ-UHFFFAOYSA-N 299.643 2.859 0 1 CFAF Cc1c(C(C)C)c(=O)on1C(=O)N(C)Cc1ccco1 26850577 PJNVXONJCBQJKD-UHFFFAOYSA-N 278.308 2.566 0 1 CFAF O=C(C[C@H](Cc1ccccc1)C(=O)O)c1ccccn1 27655419 CMLBSGJSHMTJDD-ZDUSSCGKSA-N 269.300 2.598 0 1 CFAF CC(=CCC(=O)O)C1=C(C)CC[C@@H]2[C@@H](C)C(=O)O[C@@H]12 2356486263 LNBKWSRIIRUARI-JTNHKYCSSA-N 264.321 2.695 0 1 CFAF C[C@H](C(=O)O)[C@H]1CC[C@@H](C)[C@H]2CCC(C(=O)O)=C[C@H]12 2356626083 KRUUDBOQHFKKKU-BNPPUKTJSA-N 266.337 2.790 0 1 CFAF CCC[C@H](CCC(=O)O)c1ccc(S(=O)(=O)O)cc1 2356816433 DBANCWXFGWHFPK-SNVBAGLBSA-N 286.349 2.682 0 1 CFAF COC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccccc12 72177655 JZSOCPVJALRMLO-UHFFFAOYSA-N 294.310 2.820 0 1 CFAF CC(=O)Oc1ccc2[nH]c3c(c2c1)CCN(C(C)=O)[C@@H]3C 238741103 AECPKSLIEAABJQ-SECBINFHSA-N 286.331 2.559 0 1 CFAF O=C(O)c1ccccc1Nc1ccc(O)c(Cl)c1CO 95626125 ZESDLTOKUCGKGS-UHFFFAOYSA-N 293.706 2.980 0 1 CFAF in-man O[C@@H]1CN(Cc2ccccc2)CCc2ccccc21 653694209 MNEDBWGEAFWGRR-QGZVFWFLSA-N 253.345 2.778 0 1 CFAF Nc1cc(-c2nc3cc(Cl)cnc3[nH]2)ccc1F 587139228 CTDAQLCBFKUVHU-UHFFFAOYSA-N 262.675 3.000 0 1 CFAF C[C@@H](O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587528683 DOFNARCARKOSHO-QLJPJBMISA-N 260.333 2.670 0 1 CFAF c1ccc2c(c1)C[C@@H](c1nc3cnncc3[nH]1)S2 587043597 SKMBWITXTYHMKX-LBPRGKRZSA-N 254.318 2.742 0 1 CFAF CCOC(=O)[C@@H]1Cc2nc3cccc4c3c(c21)CC4 587213365 ZHBCADUYIOGEEX-LLVKDONJSA-N 253.301 2.536 0 1 CFAF Cc1ccnc2[nH]c(/C=C\C(=O)Nc3ccccc3)nc12 587243734 HONADWKALVRGBF-FPLPWBNLSA-N 278.315 2.918 0 1 CFAF NCc1cccc(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 587245619 BNGWAVUMNLKPLJ-UHFFFAOYSA-N 276.702 2.876 0 1 CFAF Nc1cnc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)nc1 587252910 SIVJKMLDUVEUPK-UHFFFAOYSA-N 295.224 2.501 0 1 CFAF CCCc1c(O)ccc2c1O[C@](C)(CN=O)CC2=O 587469327 NFVODQHKOMIPIB-AWEZNQCLSA-N 263.293 2.835 0 1 CFAF COc1ccc2nc(-c3nc4ncc[nH]c-4n3)sc2c1 587035909 WXPHAMYJOXNCIW-UHFFFAOYSA-N 283.316 2.590 0 1 CFAF COc1cc2c3c(c1)O[C@@H](CCCC[C@@H](C)O)[C@@H](C2)C3=O 587455955 RJVBZPVLVMYIEJ-HONMWMINSA-N 290.359 2.752 0 1 CFAF Cc1ccnc2c1CCN[C@]2(Cc1ccccc1)CN(C)C 963066353 GWDRCGVIXWIRKR-LJQANCHMSA-N 295.430 2.535 0 1 CFAF COC1([C@H]2NCCc3cccc(Cl)c32)CCOCC1 963390606 LLGDRXPLYYTPJU-AWEZNQCLSA-N 281.783 2.722 0 1 CFAF CC[C@@H](N)c1ccc(Cl)c(C(=O)c2ccncn2)c1F 1772649320 GJUHFUMRHQKUIX-SNVBAGLBSA-N 293.729 2.910 0 1 CFAF CC(=O)Nc1cccc2c1C(=O)c1c(CC(C)C)n[nH]c1-2 13492170 QJKZRGVYNZSKPX-UHFFFAOYSA-N 283.331 2.778 0 1 CFAF COc1ccc([C@@H](O)[C@H](C)CN2CCCCC2)cc1 238741591 NHKXDAZIIPGBPM-CJNGLKHVSA-N 263.381 2.851 0 1 CFAF C[C@@]12CC[C@@]3(CO)CO[C@@H](c4ccccc4O1)[C@@H]2C3 973536 JPABUXDNLBKOTH-QCEMKRCNSA-N 260.333 2.688 0 1 CFAF CC(C)CN1Cc2cccc3nc(O)n(c23)C[C@@H]1C 6495352 BBQFLZBMPBVODN-NSHDSACASA-N 259.353 2.602 0 1 CFAF CCc1sc2ncc(Cl)cc2c1C1=NCCN1 28871833 ILVZUVUEHFZBOS-UHFFFAOYSA-N 265.769 2.862 0 1 CFAF OCc1cc(OCc2cc(O)ccc2O)cc(Cl)c1O 29041861 WTDORBLYOHYLPZ-UHFFFAOYSA-N 296.706 2.528 0 1 CFAF Cc1cc2nc(N)nn2c(-c2cccc(C(F)(F)F)c2)n1 28242475 QMDQOZIEXUYDGP-UHFFFAOYSA-N 293.252 2.701 0 1 CFAF CN1Cc2cnnn2-c2ccccc2[C@H]1c1ccccc1 61943117 PDVOHWJKMOHSHI-QGZVFWFLSA-N 276.343 2.802 0 3 CFAF CCCC(=O)[C@H]1CCCCN1C(=O)C(=O)C(C)(C)CC 26934900 IBNURESCEYSLIJ-GFCCVEGCSA-N 281.396 2.742 0 1 CFAF CC(=O)OCC1=C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1 33816419 MXXXXLYPPRGOGK-NVXWUHKLSA-N 296.370 2.611 0 1 CFAF CCc1nn(CCO)c(CC)c1Oc1ccccc1F 45261827 XSQURKUBVDDYAN-UHFFFAOYSA-N 278.327 2.932 0 1 CFAF COc1cc(O)cc2cc3c(c(O)c12)C(=O)C[C@@H](C)[C@@H]3O 45283472 USXWNPRVDQRHME-MLXNANBUSA-N 288.299 2.516 0 1 CFAF Brc1ccc(N2O[C@@H]3C=C[C@H]2CC3)nc1 195385678 VAUHQRNQIHPCQZ-VHSXEESVSA-N 267.126 2.683 0 1 CFAF CCCC[n+]1cccc2c1CC[C@H]1[C@@H]2CCC[C@H]1O 253634981 AMVOCAFZNUMROI-UKPHBRMFSA-N 260.401 2.965 0 1 CFAF C/C1=C/C[C@H](O)[C@H](C)C[C@@H]2OC(=O)[C@H](C)[C@H]2CC1 257470193 LAOQYXNUSDEVJK-NQODXWQISA-N 252.354 2.681 0 1 CFAF endogenous,in-man N=c1[nH]ccc2nc(CSCc3ccsc3)[nH]c12 587024749 BMYYYTFCJJAQOA-UHFFFAOYSA-N 276.390 2.865 0 1 CFAF COc1cc(C)ccc1-c1nc2nc(Cl)c[nH]c-2n1 587924745 DQMPBCKYBJTWNN-UHFFFAOYSA-N 274.711 2.942 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc3[nH]ccnc1-3)O2 587396713 OBPCZTYJJRXHIS-CYBMUJFWSA-N 294.314 2.507 0 1 CFAF Cc1nccc2[nH]c(CCC(=O)c3ccc(N)cc3)nc12 587251257 DMCNLMZRNCRMHL-UHFFFAOYSA-N 280.331 2.664 0 1 CFAF N=c1[nH]ccc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc12 587084744 SFBKELKWGYACQW-UHFFFAOYSA-N 280.118 2.739 0 1 CFAF Cc1cncc2nc(-c3cc(CO)ccc3F)[nH]c12 587140214 IZHJRUJUVGSJAR-UHFFFAOYSA-N 257.268 2.565 0 1 CFAF CCn1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1F 587385641 DWNKBZPJLSGFEE-CYBMUJFWSA-N 289.310 2.639 0 1 CFAF CCC[C@@H](c1nc2cccc(S(N)(=O)=O)c2[nH]1)C(C)C 587955130 GHWJSJYPAKVJDD-SNVBAGLBSA-N 295.408 2.750 0 1 CFAF C[C@]1([C@@H]2CCCCC2=O)c2ccsc2CCN1C(N)=O 962711703 SURIOVJOCVDNKM-BMIGLBTASA-N 292.404 2.659 0 1 CFAF COC(=O)c1cccc(-c2ccc(-n3cccc3)nn2)c1 207527035 HGYLXBHPVOLSBA-UHFFFAOYSA-N 279.299 2.721 0 1 CFAF CCc1ccc(CCc2ccc3nc(N)nc(N)c3n2)cc1 1772644512 FLJRHEYBNXZPJZ-UHFFFAOYSA-N 293.374 2.537 0 1 CFAF CC1=CC[C@@H]2[C@@H](O[C@@H](c3ccccc3)C[C@]2(C)O)[C@@H]1O 1772625655 DTOUXULHWPNTNK-HHARLNAUSA-N 274.360 2.595 0 1 CFAF CO[C@H]1CC=C2CCN3CCc4ccc(O)cc4[C@@]23C1 5998283 HJMBLPWMTXSDPK-DOTOQJQBSA-N 271.360 2.585 0 1 CFAF Cc1cc(Cl)cc2nc(N3CCN(C)CC3)oc12 13675085 RXBCJKUZCIPXRD-UHFFFAOYSA-N 265.744 2.541 0 1 CFAF COC(=O)c1c(-c2ccc(N)cc2)oc2ccccc2c1=O 13820370 PJHCHOKBYBYVNP-UHFFFAOYSA-N 295.294 2.829 0 1 CFAF Cc1ccc(S(=O)(=O)N2CC3=C(C2)[C@H]2C[C@@]2(C)C3)cc1 169293392 NYRJAMPXVAQGLH-HZPDHXFCSA-N 289.400 2.726 0 3 CFAF C/C1=C\[C@H]2OC(=O)[C@H](C)[C@@H]2[C@H](O)C/C(C)=C/CC1 169675830 TXSIFZZILWRCIY-NWCVAYTNSA-N 250.338 2.602 0 1 CFAF O=C(O)[C@@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)NCCC1=CCCCC1 169693999 MFNHOXMUXZEVAG-KBUPBQIOSA-N 289.375 2.516 0 1 CFAF COCc1ccc(C)c2c1C(=O)[C@@H](O)C(=C(C)C)C2 2356341847 YLZMCKDMPWODPI-HNNXBMFYSA-N 260.333 2.578 0 1 CFAF CCc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@H]2C1=O 2816224 SHKMCSILPLDXRP-UPUJQMMVSA-N 281.355 2.951 0 1 CFAF CN(C)C(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 4053637 QEVCLQSVLRUDFM-DOTOQJQBSA-N 294.354 2.867 0 1 CFAF O=C(O)Cc1ccc(O)c2c1C(=O)C[C@H](c1ccccc1)O2 2356404478 ONWSGPNPJXIUIV-CQSZACIVSA-N 298.294 2.726 0 1 CFAF C/C1=C/c2occ(C)c2[C@H]2C=C(CC[C@H]1O)C(=O)O2 105579039 JWFQYTGNEFSYSJ-AXIGGGFBSA-N 260.289 2.670 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2cccs2)C[C@H]2CC[C@H]1O2 101501486 BFJBGRWXGVSGLZ-DNRKLUKYSA-N 252.335 2.572 0 1 CFAF Cc1ccc([C@H]2C[C@H]3CC[C@H]4[C@@H]2[C@](C)(O)CN43)cc1 26752018 QDNMERQLRWGGDY-NQNKBUKLSA-N 257.377 2.696 0 1 CFAF Oc1ccc(-c2nnc(-c3ccncc3)s2)c(O)c1 28712204 SIDXPSPHOQPINL-UHFFFAOYSA-N 271.301 2.678 0 1 CFAF CCN1CC[C@H](C)c2cc(Cc3cnc(N)nc3N)ccc21 29554489 BVTLYXPJXLFKHC-NSHDSACASA-N 297.406 2.565 0 1 CFAF CN(Cc1nc(-c2c[nH]c3ccccc23)cs1)C(=N)N 26662904 QDPQXKBLRGKFJX-UHFFFAOYSA-N 285.376 2.617 0 1 CFAF c1ccc(Nc2cncc(OC[C@@H]3CCCN3)c2)cc1 64539732 PPNVCWLCUGAHAI-AWEZNQCLSA-N 269.348 2.956 0 1 CFAF CCCCC/C=C(/NC(=O)[C@@H]1CC1(C)C)C(=O)O 26021677 WIESNNVNXBYTFK-NGPGYTDTSA-N 253.342 2.698 0 1 CFAF CC1=CC=C[C@](C)(O)CCC(=O)O[C@H](C)[C@@H](C)CC[C@@H]1O 2356449098 AIPQJEGNCNESPP-GUSZCTEKSA-N 296.407 2.743 0 1 CFAF CCc1nnc(CC)n1NC(=N)c1ccc(Cl)cc1 26982083 HPPNJNRKLKREQX-UHFFFAOYSA-N 277.759 2.625 0 1 CFAF CC(C)[C@@H](O)[C@H](O)Oc1c2c(cc3ccoc13)C=CCO2 2356565491 YHXKSZIXAVCDGH-MLGOLLRUSA-N 290.315 2.553 0 1 CFAF CCCCOC1=CC(=O)O[C@@H]([C@H](O)CCCC)C1 2356608872 JMXFQDONSSPQOG-CHWSQXEVSA-N 256.342 2.554 0 1 CFAF CCCc1cc(OC)c(C[C@@H](N)CC)cc1OC 29392305 JQUVOKBZTCXBPH-ZDUSSCGKSA-N 251.370 2.936 0 1 CFAF CC(C)C(=O)N(Cc1ccccc1C1CC1)[C@H]1CCNC1 38247699 PXHGECKMKPJNDM-INIZCTEOSA-N 286.419 2.911 0 1 CFAF Cc1c(C(=O)c2ccccc2)c(C)n(C)c1CCC(=O)O 73222255 PCBIYTGPASPEJH-UHFFFAOYSA-N 285.343 2.890 0 1 CFAF NC(=O)c1ccc(-c2cc(-c3nccs3)cnc2N)cc1 45337715 MSZUZPMIDAMIOL-UHFFFAOYSA-N 296.355 2.553 0 1 CFAF COc1ccc(OC)c(-c2cc(NCC3CC3)ncn2)c1 82161084 IBVSOCPTQVCAIO-UHFFFAOYSA-N 285.347 2.983 0 1 CFAF O=C1C[C@H](c2noc3ccccc23)C(=O)N1c1ccccc1 299829952 UBSRTJRIDRFKIV-CYBMUJFWSA-N 292.294 2.875 0 1 CFAF O=C(COc1ccc2oc(=O)ccc2c1)Nc1ccccc1 653799968 OVLZPXXBGGQTNZ-UHFFFAOYSA-N 295.294 2.811 0 1 CFAF COc1cc2nc(C(C)(C)SCC(=O)O)[nH]c2cc1F 586957992 BYEITNVKDWXCDD-UHFFFAOYSA-N 298.339 2.764 0 1 CFAF COc1nccc2nc(-c3csc4c3CCOC4)[nH]c12 587031695 LBUGVJPCRKDAKY-UHFFFAOYSA-N 287.344 2.768 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1nccs1)[C@@H](C2)C3=O 587453107 PRZODVJOVCHHQZ-BONVTDFDSA-N 287.340 2.815 0 1 CFAF O=C1CCC[C@@H](c2nc3ccc(CO)cc3[nH]2)CC1 586884785 IXGUJGIWBXCKNX-LLVKDONJSA-N 258.321 2.672 0 1 CFAF CC(C)[C@@H](c1nc2cc3c(cc2[nH]1)OCO3)N(C)C 587198727 LSKSNUOINJQZFJ-ZDUSSCGKSA-N 261.325 2.550 0 1 CFAF CN1c2cc(-c3ccncc3)sc2C(=O)NC1(C)C 114221393 IGGVZMGXHOUJJL-UHFFFAOYSA-N 273.361 2.726 0 1 CFAF NC(=O)c1cc2c(-c3cccc(Cl)c3)ccnc2[nH]1 1772579355 NVROJEMUPJXPBI-UHFFFAOYSA-N 271.707 2.982 0 1 CFAF Oc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12 13759690 XEVZWKHGVYHGAM-UHFFFAOYSA-N 286.678 2.897 0 1 CFAF CCCCCCSc1nc(O)c2nc[nH]c2n1 13756633 CVGMBRRCDSMLRS-UHFFFAOYSA-N 252.343 2.731 0 1 CFAF COc1c2c(cc3oc(=O)ccc13)OC(C)(C)CC2 14885095 HJUDWPJIBKIYQS-UHFFFAOYSA-N 260.289 2.905 0 1 CFAF endogenous,in-man OC12C[C@H]3CC(C[C@@H](C3)C1)N2CCc1ccc(F)cc1 169295889 GPUFACMHGXJOBZ-QBBMROGASA-N 275.367 2.951 0 1 CFAF COc1ccc2c(c1)CCc1cc(C(=O)O)ccc1C2=O 39241997 AZKMVUXTEMRBGK-UHFFFAOYSA-N 282.295 2.723 0 1 CFAF NC(=O)N1c2ccccc2C[C@H](OC=O)c2ccccc21 26574441 RFTCAPKGHRFCFL-HNNXBMFYSA-N 282.299 2.674 0 1 CFAF CC(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccc(C)cc1 100984299 QJWPKQVLJGKTAQ-IAGOWNOFSA-N 272.392 2.627 0 1 CFAF CN1CCC[C@H]1COc1cncc(-c2ccco2)c1 27729642 SZJQQNCPFNNXTC-ZDUSSCGKSA-N 258.321 2.815 0 1 CFAF Cc1cccc(Cc2cn(-c3ccc(O)cc3)nn2)c1 64573261 MRYBAPOTURRKML-UHFFFAOYSA-N 265.316 2.872 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2ccc(C)c(F)c2)C[C@@H]2CC[C@H]1N2C 28477519 ZIXPADCAHDMWPA-SJXGUFTOSA-N 291.366 2.873 0 1 CFAF CC[C@]12CCCN3CC[C@@H]4c5ccccc5N([C@H](O)C1)[C@H]4[C@@H]32 2356648656 LDHUNICCSKTUCE-SJQORLFUSA-N 298.430 2.945 0 1 CFAF CCCCC[C@H](C[C@@H](O)C[C@H]1CC=CC(=O)O1)OC 71341112 JJFJQEIHTAJVJL-MGPQQGTHSA-N 270.369 2.595 0 1 CFAF O=c1oc(Oc2ccccc2)nn1-c1ccc(F)cc1F 140497790 AMMPSAXZMLBOAN-UHFFFAOYSA-N 290.225 2.896 0 1 CFAF Oc1nccc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c12 587174655 KJMDDUYHVXEOID-UHFFFAOYSA-N 282.278 2.875 0 1 CFAF CCn1cncc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587392079 VZQPZBQKLBOTSV-CQSZACIVSA-N 271.320 2.500 0 1 CFAF O[C@@H]1C[C@@H](c2nc3cc4c(cc3[nH]2)OCO4)c2ccccc21 586901904 JCIZXQJUXDFNCC-BXUZGUMPSA-N 294.310 2.861 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)-c1cc(Cl)ccc1C3 587368836 PNOBEUPPHIPTOJ-UHFFFAOYSA-N 285.690 2.661 0 1 CFAF Oc1cccc(CCc2nc3ccc(O)cc3[nH]2)c1 586896774 XUWHQGRWVYPMOR-UHFFFAOYSA-N 254.289 2.759 0 1 CFAF CCCc1c(O)ccc2c1O[C@](C)([C@H]1CCNC1)CC2=O 587479600 CLDMLTPXLVKPQH-GTNSWQLSSA-N 289.375 2.678 0 1 CFAF CN(C)CCOc1ccc2nc(C(C)(C)Cl)[nH]c2c1 587008266 MWWMFEAXUIPXJB-UHFFFAOYSA-N 281.787 2.977 0 1 CFAF CC(C)Oc1ccc2nc([C@H](O)C3CCOCC3)[nH]c2c1 586912209 BFARMNYUKGTCCH-OAHLLOKOSA-N 290.363 2.810 0 1 CFAF C[C@H](Oc1ccc(F)cc1)c1nc2cncnc2[nH]1 587169487 XNFDGSIABDTYRS-QMMMGPOBSA-N 258.256 2.632 0 1 CFAF CSc1sc(C(N)=O)c2c1-c1sncc1CC2 584648879 RUFKAIQMVPWHCQ-UHFFFAOYSA-N 282.415 2.791 0 1 CFAF C[C@H](C(=O)O)N(OCc1ccccc1)C(=O)c1ccccc1 1772637882 CMAAPHZPXMUNJZ-CYBMUJFWSA-N 299.326 2.734 0 1 CFAF CSc1ccc(-c2nc(O)c3cnccn23)cc1 12483540 ATQZLPIABVREAR-UHFFFAOYSA-N 257.318 2.824 0 1 CFAF CC(=O)[C@H]1[C@@H](c2ccc(C)cc2)c2c(noc2C)C[C@@]1(C)O 13142948 VOEPNEXOAAXCCH-OKZBNKHCSA-N 299.370 2.936 0 1 CFAF O=C1O[C@H]2Cc3ccccc3-c3c4c(cc1c32)OCO4 13372691 OGIGOVQXGYADQG-NSHDSACASA-N 266.252 2.850 0 1 CFAF CC(=O)Oc1ccc2c(c1)S(=O)(=O)c1ccccc1O2 13779763 PEKSSDPOFXGIFB-UHFFFAOYSA-N 290.296 2.550 0 1 CFAF C[C@@]12Cc3ccccc3C[C@@H](Cc3ccc(O)cc31)[C@@H]2N 169329810 XANQOAUSSHJWCS-ZYSHUDEJSA-N 279.383 2.948 0 1 CFAF O=NCc1c(Nc2ccccc2)nc2ccccn2c1=O 169687751 NSKOIBIMANDHSZ-UHFFFAOYSA-N 280.287 2.705 0 1 CFAF CC(C)[C@@H](/C(O)=C/[N+]#N)N1C(=O)c2ccccc2C1=O 4338331 WDJBRBCUWNGFRG-RDQDRAATSA-O 272.284 2.560 0 3 CFAF CC[C@H](C)NC(=O)C1=C(C)C(=O)OC12CCCCCC2 6933194 IMZUIFSFFBLSOA-NSHDSACASA-N 279.380 2.867 0 1 CFAF COc1ccc2c(c1)NC(=O)/C2=C/c1ccc(O)cc1 101030195 PBLOJPUYFVSJDO-RIYZIHGNSA-N 267.284 2.894 0 1 CFAF C[C@@H]1C(=O)C[C@@]23CCN(C)[C@@H](Cc4ccc(O)cc42)[C@@H]3[C@H]1C 29221767 UXGGGGCNEATCRR-ZPYLHCFJSA-N 299.414 2.751 0 1 CFAF O=C1CN2C(c3ccc(Cl)cc3)=CSC2=N1 103259622 OZSGMUVOGHBQRB-UHFFFAOYSA-N 250.710 2.583 0 1 CFAF CN(C)[C@@H]1COc2ccc(-c3c(O)cccc3O)cc2C1 28349616 UVFUGWAVPZMLFX-ZDUSSCGKSA-N 285.343 2.630 0 1 CFAF Cn1c(=N)n(CC(=O)c2cccc(Cl)c2)c2ccccc21 29127620 YDBIHPCEPNMDCJ-UHFFFAOYSA-N 299.761 2.996 0 1 CFAF CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc2c(c1)OCO2 66073640 DLCKIBKKDKUAQM-CYBMUJFWSA-N 298.298 2.706 0 1 CFAF CC(C)CCc1cc(=O)oc2nc(C(F)F)nc(O)c12 66066024 FNJBKBBTBBGDEF-UHFFFAOYSA-N 284.262 2.815 0 1 CFAF CCc1ccn2c(=O)cc(-c3ccccc3)nc2c1 73160221 RXRVMSVYRMCQJP-UHFFFAOYSA-N 250.301 2.924 0 1 CFAF OCc1cccc(-c2cnc3ccc(C4CC4)nn23)c1 82083071 UBMLHMOOXQYBIA-UHFFFAOYSA-N 265.316 2.766 0 1 CFAF O=C(O)c1cnn(-c2ccc(-c3cccs3)cn2)c1 40584814 RYDAXDIHHGWNOI-UHFFFAOYSA-N 271.301 2.694 0 1 CFAF CC(C)CN(C(=O)c1cccc(F)c1Cl)[C@H]1CCNC1 48999050 KKHPGFXTXRPZGB-NSHDSACASA-N 298.789 2.939 0 1 CFAF in-vitro CCCN1CCCC[C@@H]1c1nc2c(C(N)=O)cccc2[nH]1 40379638 ZAYFJAYEEOETOQ-CYBMUJFWSA-N 286.379 2.599 0 1 CFAF Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1N[C@H](C)C(C)C 82203140 KZWYWIBYEKPNBK-MELADBBJSA-N 292.427 2.855 0 1 CFAF CC[C@H](O)CCCC[C@H]1OC(=O)Cc2cc(O)cc(O)c21 238748171 FGSIJRAQWLXFRU-SMDDNHRTSA-N 294.347 2.570 0 1 CFAF C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 238785520 JWJOVYZAXACWBK-XYFSKKJPSA-N 250.338 2.603 0 1 CFAF biogenic COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(C)c(F)c1)N2 253738263 QDZIBQWKRRRXAL-DDHJSBNISA-N 277.339 2.531 0 1 CFAF c1cc2c(cc1CN[C@@H]1[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@H]15)OCO2 261177817 VGYQUDBPYFLBLJ-HEIRUHBNSA-N 295.382 2.651 0 1 CFAF CC1=NN(c2ccc(-c3cccnc3)cc2)C(=O)C1 653780350 DNVJVIFUGRKJJF-UHFFFAOYSA-N 251.289 2.861 0 1 CFAF COc1cncc(N)c1-c1nc2c(F)cc(C)cc2[nH]1 587253060 ZWPZUYHLZQRXIX-UHFFFAOYSA-N 272.283 2.663 0 1 CFAF COc1ccc(-c2nc3cc(C)cnc3[nH]2)c(Cl)n1 587083661 FGSDGIJBWSXLBB-UHFFFAOYSA-N 274.711 2.990 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3ncccc31)O2 587396163 XCIFQSXHLWARSR-QGZVFWFLSA-N 280.327 2.779 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]1OC(C)C)O2 587402788 HSPXMRFWVSRGJH-HOCLYGCPSA-N 275.348 2.869 0 1 CFAF CN1CCN(c2ccc3nc(C4=CCCC4)[nH]c3c2)CC1 586885535 VVPPBUJUBXFRAE-UHFFFAOYSA-N 282.391 2.882 0 1 CFAF CCn1cc(-c2cc(C(=O)O)n(C)n2)c2ccccc21 584905169 WCVZTBNDQWTCGE-UHFFFAOYSA-N 269.304 2.760 0 1 CFAF in-vitro C[C@@H]1CCc2sc(-c3nc4nc(=N)[nH]cc4[nH]3)cc2C1 587032815 BGBFFSUELWONKZ-SSDOTTSWSA-N 285.376 2.619 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1nc(C)c(C)[nH]1)[C@@H](C2)C3=O 587437150 DPXGDIOAQXWXLN-XHDPSFHLSA-N 284.315 2.524 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccncc1C)[C@@H](C2)C3=O 587437087 WPAOHSRCLXLVFW-GUYCJALGSA-N 281.311 2.887 0 1 CFAF Cc1ccc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c2n1 586905855 FEPYIBIJFPISDQ-MDWZMJQESA-N 277.283 2.935 0 1 CFAF COC(=O)c1cc(O)c2[nH]c3ccc(OC)cc3c2c1 13482931 CBFYVVUVWZUGBY-UHFFFAOYSA-N 271.272 2.822 0 1 CFAF O=C(Nc1n[nH]c2cc(-c3ccc[nH]3)ccc12)C1CC1 13538617 YFAZVYJDWIMMBA-UHFFFAOYSA-N 266.304 2.907 0 1 CFAF OC[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1cccs1 169342436 MUJMCJPASLGZMK-BQXQHPLKSA-N 261.390 2.607 0 1 CFAF CSc1sc(-c2cc[nH]n2)c2c1C(=O)N[C@@H](C)C2 168578090 QEWFHWRKFYBNIG-LURJTMIESA-N 279.390 2.535 0 1 CFAF CN1CCN2c3c(O)cccc3Cc3ccccc3[C@@H]2C1 13475063 WUHSITNVPGCMRK-INIZCTEOSA-N 280.371 2.790 0 1 CFAF Cc1nc2c(O)cc3c4c([nH]c3c2nc1C)C(=O)CCC4 6520268 KFDOXOULICBWDS-UHFFFAOYSA-N 281.315 2.953 0 1 CFAF O=C(Cn1cc(COc2ccccc2)nn1)c1ccccc1 9339934 VQYWVJNGWMNYRG-UHFFFAOYSA-N 293.326 2.740 0 1 CFAF Cc1ccc(OC[C@H](O)[C@@H](C)NC(C)(C)C)cc1C 28226970 DGCQKEMTEFKFRH-HIFRSBDPSA-N 265.397 2.820 0 1 CFAF O=C(Cc1ccc(Cl)cc1)Nc1[nH]nc2c1CCC2 63298579 SDPIVLIBDDEFHL-UHFFFAOYSA-N 275.739 2.733 0 1 CFAF CC1=C2CC[C@](C)(O)[C@H]2CC2=C(C)C(=O)O[C@]2(C)C1 2356756376 XFKBZIHXTPWMQJ-CWRNSKLLSA-N 262.349 2.890 0 1 CFAF CO[C@H]1C=C(C)[C@](O)(/C=C/C(C)=C\C(=O)O)C(C)(C)C1 29321989 ONZOEDCKZAYZKJ-KZOSESLVSA-N 280.364 2.696 0 1 CFAF COc1cc(/C=C\c2cc[n+](C)cc2)cc(OC)c1OC 26992744 PTVKSNIFIZJVML-WAYWQWQTSA-N 286.351 2.707 0 1 CFAF CC(C)Cc1ncc(Cc2ccc(C(N)=O)cc2)o1 220913518 NMBKWDWGIFDCIO-UHFFFAOYSA-N 258.321 2.563 0 1 CFAF CN(C[C@H](O)c1ccccc1)C(=O)/C=C/c1ccccc1 90188578 GKTAUUQOAMJBMH-UJGDBWEASA-N 281.355 2.892 0 1 CFAF CCN=c1ccc(-c2ccc3[nH]c(=N)sc3c2)c[nH]1 474607066 IPLZEFLYSZCVED-UHFFFAOYSA-N 270.361 2.625 0 1 CFAF Cc1cc(N)nc(CCc2cccc(N(C)CCCN)c2)c1 473135171 LZJCJURIKFYTPI-UHFFFAOYSA-N 298.434 2.542 0 1 CFAF O=C(Nc1ccccc1O)[C@@H]1CCc2ccccc2N1 653830081 CHXVLNZJUFGGMY-AWEZNQCLSA-N 268.316 2.758 0 1 CFAF Cc1ccc2ccccc2c1-c1nc2c(O)nc(O)nc2[nH]1 586884673 WXOVTQQVTXBMEQ-UHFFFAOYSA-N 292.298 2.893 0 1 CFAF C[C@H]1CN(C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517414 MTKWLLZQFAWLSV-SGTLLEGYSA-N 285.387 2.851 0 1 CFAF OCCc1ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c1 587175297 XKQZOKIHLFHRPS-MRXNPFEDSA-N 298.317 2.913 0 1 CFAF Cc1ccc(/C=C\c2nc3cncnc3[nH]2)cc1F 587146162 BMFJCLYLHUIHCA-PLNGDYQASA-N 254.268 2.971 0 1 CFAF N=c1cc[nH]cc1-c1nc2ccc3c(c2[nH]1)CCCC3 587249987 VVGRPURSCJLFNI-UHFFFAOYSA-N 264.332 2.916 0 1 CFAF C[C@H](c1cc(OC(=O)N(C)C)c2ncccc2c1)N(C)C 1857567523 KRJZJRKYDVCFND-LLVKDONJSA-N 287.363 2.918 0 1 CFAF CCN(CC)CCCOc1ccc(C(C)=O)c(O)c1 1857573778 VYFVJZINHXTRIF-UHFFFAOYSA-N 265.353 2.706 0 1 CFAF O=Cc1c[nH]c2ccc3c(c12)C[C@H](N1CCCC1)CC3 13741770 JPRFHSQJEMXCKR-CQSZACIVSA-N 268.360 2.934 0 1 CFAF COc1ccc2c(c1)c1c(c(=O)n2C)CCC(C)(C)O1 13862564 NLZAWUVAIXEENQ-UHFFFAOYSA-N 273.332 2.651 0 1 CFAF COc1c(OC)c(OC)c2c(C)nccc2c1OC 14724743 CHSZKFGULGMYEB-UHFFFAOYSA-N 263.293 2.578 0 1 CFAF CN1C=Cc2ccccc2[C@H](c2ccccc2)[C@@H](O)C1=O 18210005 VRSSZILNAITUII-DLBZAZTESA-N 279.339 2.622 0 1 CFAF endogenous,in-man N=c1[nH]cc(C(=O)c2ccncc2)n1-c1ccc(Cl)cc1 1857773883 VGCVXMGFLLGEJM-UHFFFAOYSA-N 298.733 2.564 0 1 CFAF O[C@H](c1ccc(Cl)cc1)c1ccccc1C1=NCCN1 27406503 JGCHUAUECDPVDP-OAHLLOKOSA-N 286.762 2.772 0 1 CFAF CCCSc1nsnc1[C@@H]1CN2CCC[C@@H]1C2 3808937 ZZGXRPGQPAPARK-NXEZZACHSA-N 269.439 2.849 0 1 CFAF CC(C)=CC(=O)N[C@@H]1CCCN(C=Cc2ccccc2)C1=O 2356347503 TUILJXOIOFNOER-MRXNPFEDSA-N 298.386 2.731 0 1 CFAF CCC[C@H]1CN(CCC)Cc2cccc3[nH]c(=O)n1c23 6381353 LQZVBCHQMYTFEX-ZDUSSCGKSA-N 273.380 2.896 0 1 CFAF C[C@H]1CC(C)(C)Nc2ccc(Cc3cnc(N)nc3N)cc21 29566058 CZIJDVCPKOMVRI-JTQLQIEISA-N 297.406 2.930 0 1 CFAF Cc1ccc(C(=O)N[C@H](CCc2ccccc2)C(=O)O)cc1 61945302 XYKQBJTXPYODIE-MRXNPFEDSA-N 297.354 2.811 0 3 CFAF C[C@@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1N 27517608 AVSMQONKGFGSIR-SNVBAGLBSA-N 269.300 2.688 0 1 CFAF CC1=C2C[C@H]3[C@@](C)(CCC[C@@]3(C)O)C[C@H]2OC1=O 2356480698 MRZXHHLSYHIZNO-PAPYEOQZSA-N 250.338 2.580 0 1 CFAF CC(=O)O[C@@H]1CC[C@H]([C@H]2CCC(C)=C[C@@H]2O)OC1(C)C 2356507605 DLVKQKPFILNVPL-BYNSBNAKSA-N 282.380 2.593 0 1 CFAF Clc1ccc(-n2cc(-c3ccncc3)nn2)cc1 34487008 LXBPJILZALYMRV-UHFFFAOYSA-N 256.696 2.983 0 1 CFAF O=C(CN1CCCCC1)Nc1nsc2ccccc12 40918593 JRYBOOCHCMPCNP-UHFFFAOYSA-N 275.377 2.721 0 1 CFAF O=C1Nc2ccccc2/C1=C\c1cc(O)cc(O)c1 40403609 RYQJXVGXIKDKRM-NTUHNPAUSA-N 253.257 2.591 0 1 CFAF CNCc1nc(O)c2sc3ccc(Cl)cc3c2n1 45285487 QQWAYVLBNKWVHL-UHFFFAOYSA-N 279.752 2.923 0 1 CFAF CC(=O)O[C@H]1CC[C@@H]([C@H]2CCC(C)=C[C@@H]2O)OC1(C)C 238750712 DLVKQKPFILNVPL-AJNGGQMLSA-N 282.380 2.593 0 1 CFAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3c(N)ncnc3[nH]2)C1 587968871 HEVFYLJRVRVLGV-RKDXNWHRSA-N 259.357 2.865 0 1 CFAF COc1cc(C2(c3nc4cc[nH]c(=N)c4[nH]3)CC2)ccc1C 587927152 OHUFSBBVFDVHAH-UHFFFAOYSA-N 294.358 2.767 0 1 CFAF CCOCCOCc1nc2cc(Cl)c(F)cc2[nH]1 587779246 WSOVFBJARJTCHU-UHFFFAOYSA-N 272.707 2.909 0 1 CFAF CC[C@@]1(c2cncn2C)CC(=O)c2cc(C)cc(N)c2O1 587392609 ZXTOGAQFOMTGSA-INIZCTEOSA-N 285.347 2.581 0 1 CFAF CNC(=O)[C@H]1C[C@H]1c1nc2cc3ccccc3cc2[nH]1 587235126 LNPQKWAYVPJFBP-NEPJUHHUSA-N 265.316 2.566 0 1 CFAF COc1cccc2c3c(cnc12)CCNC31CC(F)C1 963046208 ILMUGPCJRKIKON-UHFFFAOYSA-N 272.323 2.716 0 1 CFAF CC[C@H](C)CSC(=S)NCC/C=C/[S@](C)=O 1857770149 SEEYPZXHCAHTKX-IFRGWNQJSA-N 279.496 2.923 0 1 CFAF C[C@@H]1C[C@@](O)(CC(=O)O)c2cc(Cl)c(Cl)cc2O1 13456143 RRJBMYLAXVCLQD-SREIQFSDSA-N 291.130 2.827 0 1 CFAF C[C@@H](Cc1ccnc(NC(N)=O)c1)c1ccccc1 167107410 UVRSOOXLDMWIOH-NSHDSACASA-N 255.321 2.918 0 1 CFAF CCCCC(=O)Nc1c(O)oc2ccccc2c1=O 103567962 XEKYTJYMFZKYKB-UHFFFAOYSA-N 261.277 2.627 0 1 CFAF c1ccc(CCN[C@H]2[C@@H]3[C@H]4C[C@@H]5[C@H]6[C@H](C[C@H]53)[C@@H]2[C@H]46)cc1 101699913 KBAKPEFQDPCCTP-ZTGWOOAWSA-N 265.400 2.965 0 1 CFAF O=C(OC1C[C@H]2CC[C@H](C1)N2)c1cc2ccccc2[nH]1 101305212 JTIOAVUBNSKIPD-VXGBXAGGSA-N 270.332 2.608 0 1 CFAF in-vivo C[C@H](O)c1ccc(Cc2c(O)n[nH]c2C(F)(F)F)cc1 27309584 SXCRBQJSBOMJNU-ZETCQYMHSA-N 286.253 2.778 0 1 CFAF Cc1cc(C(=O)O)c2nc(C#Cc3ccccc3)[nH]c2c1 113982881 ZUKKGZROCXGSMC-UHFFFAOYSA-N 276.295 2.969 0 1 CFAF CC(C)CNC(=O)C=CC=CCC[C@H]1C=C[C@@H](C)O1 2356386905 ZXHACYOKQOFDTK-CABCVRRESA-N 263.381 2.995 0 1 CFAF COC[C@]1(O)[C@@]2(CCC[C@H]2O)[C@H]2[C@H]3CCC[C@@]2(C)[C@@]1(C)C3 2356735826 SWDAGTBJDSMABM-AABARPBLSA-N 294.435 2.741 0 1 CFAF O=c1oc(Oc2ccccc2)nn1-c1ccccc1 60186556 XNHDNZWZMRKIQR-UHFFFAOYSA-N 254.245 2.618 0 1 CFAF Cc1cc(O)cc(C)c1/C=C\c1cncc(-c2nnn[nH]2)c1 38149971 ILTYMFZEBAKYFU-ARJAWSKDSA-N 293.330 2.755 0 1 CFAF CCO[C@@]12CC[C@@H]3C[C@H]4CC[C@@](OCC)(O1)[C@@H]4[C@@H]32 82190858 SORQIKMJIKCAHH-PMXAPFLYSA-N 252.354 2.938 0 1 CFAF CCCC[C@@H](c1cccc(OC)c1)S(=O)(=O)N(C)C 230514451 MPPPGIAYPNJQOC-AWEZNQCLSA-N 285.409 2.818 0 3 CFAF N=C(N)c1ccc2nc(-c3occ4c3CCC4)[nH]c2c1 586905157 HZLLHMOBUCQGJS-UHFFFAOYSA-N 266.304 2.596 0 1 CFAF CC(C)[C@@H](c1nc2ccc(Br)nc2[nH]1)N(C)C 587198489 GRZMDQIVXOTDDF-JTQLQIEISA-N 297.200 2.979 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(C)c1C)O2 587391559 SEZPHKFLAZQEMV-AWEZNQCLSA-N 285.347 2.634 0 1 CFAF FC(F)(c1ccccn1)c1nc2c(Cl)ncnc2[nH]1 587089624 WKDVPCCXMNULOX-UHFFFAOYSA-N 281.653 2.541 0 1 CFAF CC(C)=CCC/C(C)=C/c1nc2c[nH]c(=N)[nH]c-2n1 587968445 QPHLFYPPKGZFKQ-JXMROGBWSA-N 257.341 2.867 0 1 CFAF Fc1cnc2[nH]c(-c3csc4c3CCOC4)nc2c1 587032118 PJBBCRJIVGNSRK-UHFFFAOYSA-N 275.308 2.898 0 1 CFAF NC(=O)N1CCc2sccc2[C@@]12CCC(F)(F)C2 962705881 HLQOJJIOUHVIOF-NSHDSACASA-N 272.320 2.699 0 1 CFAF N#C/C(=N\Nc1cccc(Cl)c1Cl)C(N)=S 108719943 IDJFOYKLCRMIGG-VIZOYTHASA-N 273.148 2.571 0 1 CFAF CO[C@]1(Cc2ccccc2)C(=O)c2ccccc2N1C(C)=O 5602185 UBZWPPHDOLCQSU-GOSISDBHSA-N 295.338 2.821 0 1 CFAF CCO[C@H]1OC(=O)C2=C1[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2O 13485668 XUUGSOPITUNJLM-XSAQDOAFSA-N 294.391 2.800 0 1 CFAF CCc1cc(-c2cccc(N)n2)c(OC)cc1CN(C)C 13985679 PUBVCUKUEHJWSF-UHFFFAOYSA-N 285.391 2.963 0 1 CFAF COc1cccc(OC)c1CN[C@@H]1COc2ccccc2C1 14949499 NEKDFVUTEYKZLG-AWEZNQCLSA-N 299.370 2.797 0 1 CFAF COc1ccc(O)c(CCc2cc(O)c3c(c2)OCO3)c1 15113654 HGKUEBJEQDAVDX-UHFFFAOYSA-N 288.299 2.620 0 1 CFAF CCC[C@H](O)CCCCCCC[C@H](O)CC(=O)O 15117383 AVKYODWULTZQPQ-STQMWFEESA-N 260.374 2.714 0 1 CFAF biogenic,in-vitro O[C@@]12[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3[C@@H]([C@H]6[C@H]51)N2Cc1cccc(Cl)c1 169295985 QSSZMHMBGVJKCS-CKZKSATBSA-N 299.801 2.601 0 1 CFAF O=C1/C(=C/c2ccc(F)cc2F)N=C2SCCCN12 169324367 GDDXOHJBSCMDQG-WDZFZDKYSA-N 280.299 2.641 0 1 CFAF C[C@@H]1[C@H](O)C[C@]2(C)CC3(C[C@]12C)OCC(C)(C)CO3 169350695 QRQYYJQUDGHCLY-QHSBEEBCSA-N 268.397 2.963 0 1 CFAF c1ccc(COc2cccc3c2cnc2ncnn23)cc1 103172185 FEYNGWXNXUMHGX-UHFFFAOYSA-N 276.299 2.857 0 1 CFAF C/C=C/c1ccc([C@@H]2[C@H]3CN(C(=O)C4CCC4)C[C@@H]2N3)cc1 100108758 SOWLUFZCEZLFQE-SKGKWCPFSA-N 296.414 2.786 0 1 CFAF O=C(O)c1ccc2c(c1)C[C@@H](Cc1cncs1)C2 28763448 XCCCVAFXHPIHTE-VIFPVBQESA-N 259.330 2.799 0 1 CFAF CCOC(=O)c1sc(NC=O)nc1-c1ccccc1 28097485 JVPFKHPUYJXKPD-UHFFFAOYSA-N 276.317 2.555 0 1 CFAF C[C@H](CNCc1ccoc1)Oc1cccc2ccc(N)nc12 28390430 VVBXQIQNAIYSIW-GFCCVEGCSA-N 297.358 2.967 0 1 CFAF COc1cc(NCCCCC(=O)O)c2ncccc2c1 29244735 DTOIWBRUVYJRSZ-UHFFFAOYSA-N 274.320 2.910 0 1 CFAF Cc1ccc(CCC(=O)C(=O)NCCc2ccccc2)cc1 1911577132 FQMIZBVHHLXLIS-UHFFFAOYSA-N 295.382 2.856 0 1 CFAF COc1cccc(-c2ccc(-n3cc(C(=O)O)cn3)nc2)c1 40575913 FXDBZMAFDMRQGD-UHFFFAOYSA-N 295.298 2.641 0 1 CFAF C(=C1\CN2CCC1CC2)\c1ccc(C2OCCO2)cc1 40829239 XVNXKIXYFBYGNP-LFIBNONCSA-N 271.360 2.841 0 1 CFAF COc1cc2c3c(c1OC)-c1ccccc1C[C@H]3NC2=O 238786724 OWHIYNVJYMRDOV-GFCCVEGCSA-N 281.311 2.711 0 1 CFAF CC(=O)O[C@@]12CCCN(C1)/C(=C/c1ccccc1)C2 96018861 PFWOTVDSFLWGLV-AAGJOFLKSA-N 257.333 2.829 0 3 CFAF Cc1ccccc1C(=O)Oc1cccc2oc(=O)[nH]c12 95601927 PHYGDJPPVXLHNW-UHFFFAOYSA-N 269.256 2.649 0 1 CFAF COc1ccc(-c2nc3sc(C)nn3c2C(C)=O)cc1 473113325 ITNLZIZOTCPMOL-UHFFFAOYSA-N 287.344 2.977 0 1 CFAF COc1cccc(Cc2nc3cc(OC)ncc3[nH]2)c1 587930170 DWNFKAKHFJHPIV-UHFFFAOYSA-N 269.304 2.566 0 1 CFAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cnccc3[nH]1)C2 586885181 KNSXFDGUNGLHPF-GARJFASQSA-N 253.305 2.597 0 1 CFAF O=C(CCc1ccccc1)c1nc2nc(Cl)ncc2[nH]1 587953357 IQWKZXIWLLEDTK-UHFFFAOYSA-N 286.722 2.822 0 1 CFAF Nc1ccnc2[nH]c(-c3csc([C@H]4CCCO4)n3)nc12 587016548 MUYQHJSXJICNHD-SECBINFHSA-N 287.348 2.515 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cccc(C=O)c1)[C@@H](C2)C3=O 587444364 DAAABLQXIIXZGX-KSSFIOAISA-N 294.306 2.996 0 1 CFAF Fc1ccc(/C=C/c2nc3cncnc3[nH]2)c(F)c1 587150077 JLSWJZXDVTYLPE-DUXPYHPUSA-N 258.231 2.802 0 1 CFAF Cc1cc2c(O)nc(O)nc2nc1[C@@H](C)c1ccccc1 587560374 AWWOMFQAXJQMSE-JTQLQIEISA-N 281.315 2.896 0 1 CFAF O=C1C(O)=C(c2ccc(C(F)(F)F)cc2)[C@@H]2CCCN12 1857650601 AJMLGNUBATUBAF-JTQLQIEISA-N 283.249 2.979 0 1 CFAF Cc1cc2c(c3c1[C@@H](CO[N+](=O)[O-])OC3=O)CC(C)(C)C2 14455565 NKYIYEUMMRJQME-LLVKDONJSA-N 291.303 2.540 0 1 CFAF Oc1ccc(-c2nc(N3CCCCC3)c3nc[nH]c3n2)cc1 1857557039 MXYYZWVYIXOVIS-UHFFFAOYSA-N 295.346 2.716 0 1 CFAF CCN1CC(=O)N(c2c(Cl)cccc2Cl)C1=S 22390 SKEFZYSSPRAHLA-UHFFFAOYSA-N 289.187 2.947 0 1 CFAF O=C1O[C@H](Cc2ccc(O)cc2)c2cccc(O)c21 2356391906 IDEOLCKUILXURA-CYBMUJFWSA-N 256.257 2.552 0 1 CFAF C[C@H]1[C@@H](OC(=O)[C@H](O)c2ccccc2)CCC(C)(C)N1C 3872542 SXLHPJQSZRLJAE-AEGPPILISA-N 291.391 2.525 0 3 CFAF in-man C[C@@H]1CO[C@@]2(c3ccccc3)c3ccccc3C(=O)N12 6488573 VTYRAULVRJDWJZ-PXAZEXFGSA-N 265.312 2.762 0 1 CFAF COc1ccc(C[C@H]2NCCc3cc(OC)c(O)cc32)cc1 6484333 XIEZJSPLHXEHSK-MRXNPFEDSA-N 299.370 2.839 0 1 CFAF C=C(/C=C/SC)NCCCCNC(=O)/C=C/SC 103546935 QUZZAZOISCQNFX-JMQWPVDRSA-N 286.466 2.740 0 1 CFAF biogenic,in-vitro C[C@H](C(=O)OC1C[C@H]2CC[C@H](C1)N2C)c1ccccc1 100964527 ABQUDUAAINLKTQ-NWANDNLSSA-N 273.376 2.959 0 1 CFAF CN1CCN2C[C@@H](c3ccc(N)cc3)c3ccccc3[C@H]2C1 58468847 MQYSOFADODEXLT-RBUKOAKNSA-N 293.414 2.703 0 1 CFAF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1cccs1)C2 103235780 JDLRSQVASPMBKN-URLYPYJESA-N 251.351 2.530 0 1 CFAF N=C(NCCc1ccccc1)[C@H]1COc2ccccc2O1 27899694 ZYFBYPGFOKVXFN-MRXNPFEDSA-N 282.343 2.636 0 1 CFAF O=C1C[C@H](O)C[C@H](CCc2cccc3ccccc23)O1 27107527 APQYISHFWANGRJ-CABCVRRESA-N 270.328 2.839 0 1 CFAF COc1ccccc1Cn1cc(-c2ccc(O)cc2)nn1 64549665 DNYUORPJEXINBP-UHFFFAOYSA-N 281.315 2.708 0 1 CFAF CCCC=CC=C[C@@H](CCCC(=O)OC)C(=O)O 2356457484 QPFWOYDHBWPHSS-LBPRGKRZSA-N 254.326 2.943 0 1 CFAF OCCN(CCO)C[C@@H](c1ccccc1)C1CCCCC1 26013898 UWGFYSKCQKDDDJ-SFHVURJKSA-N 291.435 2.637 0 1 CFAF c1cncc([C@]2(c3cc4ccccc4[nH]3)COCO2)c1 31895896 XPSQSVZZCLFANE-INIZCTEOSA-N 266.300 2.811 0 1 CFAF CCC(C)(C)NC[C@H](O)c1cccc(OC(=O)N(C)C)c1 1911574227 KBTSHCUJZREOEJ-AWEZNQCLSA-N 294.395 2.559 0 1 CFAF Cc1cc(-c2nnc(N)nc2-c2ccccc2)cc(C)n1 84602040 SORFNYWLKDSNNF-UHFFFAOYSA-N 277.331 2.800 0 1 CFAF in-vitro CO/C=C(/C(=O)OC)[C@@H](C)C(=O)/C=C/c1ccccc1 222648005 PUMAFCMPTDKDTP-MYZSTDGSSA-N 274.316 2.608 0 1 CFAF Nc1ncc(-c2ccc(-c3cccnc3N)cc2F)cn1 224778663 HQRRNVKQAUGFCS-UHFFFAOYSA-N 281.294 2.509 0 1 CFAF CCC(CC)Nc1nc(N2C[C@H](C)O[C@H](C)C2)ncc1C 82202938 XFGQHNZUDDXEPB-BETUJISGSA-N 292.427 2.999 0 1 CFAF CO[C@H]1O[C@H](C)Cc2ccc3c(c21)O[C@@H](C(C)C)C3=O 48999367 OOXIYCFKVAWYJC-OELKAKTESA-N 276.332 2.893 0 1 CFAF NC(=O)Nc1ccc2ncnc(Nc3cccc(O)c3)c2c1 95602629 AZBFOJVMPSWSBX-UHFFFAOYSA-N 295.302 2.570 0 1 CFAF Cc1ccc(Sc2snnc2C(=O)O)cc1 95921151 PNOGJHWZHLJICV-UHFFFAOYSA-N 252.320 2.696 0 1 CFAF in-vitro CN1C(=N)N(Cc2ccccc2)C[C@@H]1Cc1ccccc1 653790973 RWKZZIHFONWHHR-KRWDZBQOSA-N 279.387 2.980 0 1 CFAF Cc1cccc(OCCN[C@@H]2CCCC[C@H]2O)c1C 653746454 ZPTXQQLELDJHCO-HUUCEWRRSA-N 263.381 2.575 0 1 CFAF Cc1c(F)cc(-c2nc3cc(=N)[nH]cc3[nH]2)cc1F 587133065 PAXZVGNGIFBQFA-UHFFFAOYSA-N 260.247 2.624 0 1 CFAF CCN(CC)C[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427272 CVKDIUKTPWLPGV-CXAGYDPISA-N 289.375 2.543 0 1 CFAF C[C@@H](F)[C@H](N)c1nc2c(Cl)cnc(Cl)c2[nH]1 587126796 YXIUQWRPQXXJEZ-WUJLRWPWSA-N 263.103 2.623 0 1 CFAF COc1ccc(CCCc2nc3cncnc3[nH]2)cc1OC 587925366 NMCFEPGJOWWHDK-UHFFFAOYSA-N 298.346 2.545 0 1 CFAF Cc1nccc2[nH]c([C@@H]3COc4ccccc4O3)nc12 586918143 KCCJEKVDOZEXSJ-ZDUSSCGKSA-N 267.288 2.779 0 1 CFAF c1cc2c3c(c4c(nc3c1)C1=C(C4)OCOC1)CC2 587216286 YUELNIJYEBWEJV-UHFFFAOYSA-N 251.285 2.605 0 1 CFAF COc1cc(C)ccc1-c1nc2cncc(OC)c2[nH]1 587925008 IMTDARTVLYJLCP-UHFFFAOYSA-N 269.304 2.951 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccnc(O)c1)O2 587394449 VBYKZWIZDRSUQR-INIZCTEOSA-N 284.315 2.558 0 1 CFAF C[C@H](O)c1ncc(-c2nc3ccc(Cl)nc3[nH]2)s1 587022820 ZKEKKGKSUNFNMV-YFKPBYRVSA-N 280.740 2.788 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cnsc1)[C@@H](C2)C3=O 587452964 OMZNQXHYOQCUHS-HZMBPMFUSA-N 273.313 2.640 0 1 CFAF Cc1sc(-c2ccncc2)nc1OCCCN(C)C 1857768391 XLYSEJAKCUCQGH-UHFFFAOYSA-N 277.393 2.844 0 1 CFAF C[C@H]1CCC[C@@H](C)N1CCCNC(=O)Cc1ccccc1 13734022 ZYYUCBOQWQTQNQ-IYBDPMFKSA-N 288.435 2.998 0 1 CFAF Oc1ccc(C2=CCO[C@H](c3ccc(O)cc3)[C@H]2O)cc1 14616034 NSXWREIRRYJPAQ-DLBZAZTESA-N 284.311 2.614 0 1 CFAF COc1cc2ccnc(C(=O)c3ccc(O)cc3)c2cc1O 15251849 VGRUFROCKGCCHG-UHFFFAOYSA-N 295.294 2.886 0 1 CFAF biogenic,in-vitro Cn1[nH]c(C(C)(C)C)c2nc(-c3ccncc3)nc1-2 19301108 YFILLEWFFHNVBX-UHFFFAOYSA-N 255.325 2.608 0 1 CFAF COC(=O)c1cccc(-c2cc(C=O)c(O)c(OC)c2)c1 169699654 QNSTUMKDMWUKOP-UHFFFAOYSA-N 286.283 2.667 0 1 CFAF CCc1cccc2c(=O)n([C@@H]3CN4CCC3CC4)ccc12 20844 UULCSCSYRRMQMM-QGZVFWFLSA-N 282.387 2.831 0 1 CFAF CCCCc1c(O)c2cncnc2n(-c2ccccc2)c1=O 100819212 DXORORCIFUPVTE-UHFFFAOYSA-N 295.342 2.829 0 1 CFAF O=C(O)[C@H]1CCc2cc(Cc3cncs3)ccc2C1 28763389 HCSSMFJBLGXOPO-ZDUSSCGKSA-N 273.357 2.923 0 1 CFAF CCOC(=O)Nc1cc2[nH]c(-c3ccccc3)nc2c(N)n1 27722000 DAMMEXNVYLXZLD-UHFFFAOYSA-N 297.318 2.776 0 1 CFAF Cc1c(C(C)C)c(=O)on1C(=O)N(C(C)C)C(C)C 26846422 QHJDDSHGPUKYQM-UHFFFAOYSA-N 268.357 2.960 0 1 CFAF COc1ccc([C@H]2C[C@@H](O)C[C@H]3CCCCN32)cc1OC 85995871 YEFMCXAZLNBVEN-QLFBSQMISA-N 291.391 2.754 0 1 CFAF C1=C(c2ccc3nccnc3c2)C[C@@H]2CNC[C@H]1C2 95574647 HGGAFEZREIVLAZ-NWDGAFQWSA-N 251.333 2.643 0 1 CFAF CC(=O)OC/C(C)=C/C[C@@H](O)/C(C)=C/CC/C(C)=C/CO 238744071 STABTSMVMWIOSJ-CYFAXRFGSA-N 296.407 2.912 0 1 CFAF COc1cccc2c1-c1c(n(C)c3ccccc3c1=O)C2=O 473151511 PPIXVSWCVIFEMZ-UHFFFAOYSA-N 291.306 2.759 0 1 CFAF COC(=O)c1ccc2nc(C(C)(C)Cl)[nH]c2c1OC 587009268 YWUDRDQLCOSYFO-UHFFFAOYSA-N 282.727 2.832 0 1 CFAF C[C@]1([C@H]2CO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616880 NHWKUGNXAHCQPF-JKIFEVAISA-N 298.294 2.511 0 1 CFAF CCCC[C@]1(C(C)=O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445548 LBAVJAQABIOSRQ-CXAGYDPISA-N 288.343 2.961 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H]([C@@H]1[C@H]3COC[C@H]31)CC2=O 587492643 RLXWUMFVSJIOAT-KOZAUXTDSA-N 288.343 2.571 0 1 CFAF Fc1ccc2c(c1)-c1cc(n(-c3ccnnc3)n1)O2 587874500 DMDGSEXJHPMYNY-UHFFFAOYSA-N 254.224 2.574 0 1 CFAF c1ccc2c(c1)CC[C@@]21C[C@@H]1c1nc2cnncc2[nH]1 586892997 YTWTZGQPTANBRE-MLGOLLRUSA-N 262.316 2.724 0 1 CFAF Cc1ccnn1CC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587876343 RCMMNTFBXPDBIT-UHFFFAOYSA-N 298.277 2.640 0 1 CFAF CC(=O)NC(C)(C)Cc1cc2c3c(cccc3n1)CC2 587212425 IZLFDHBZLQJLGS-UHFFFAOYSA-N 268.360 2.791 0 1 CFAF C[C@@H](Cc1nc2ccc3ncccc3c2[nH]1)N(C)C 587192023 QHNJVARNUCJITN-JTQLQIEISA-N 254.337 2.604 0 1 CFAF CCCCn1ccc([C@H]2NCCc3nc4ccccn4c32)n1 962985700 QWFRGISJKAEQRI-MRXNPFEDSA-N 295.390 2.566 0 1 CFAF Cc1ccnc2c1CCN[C@@]21CCCC(=O)C1(C)C 963071917 MGMKJNCBZCJKBN-INIZCTEOSA-N 258.365 2.510 0 1 CFAF Cc1cc(NC(=O)c2ccc3ncsc3c2)on1 13596831 OXLQZXBZYZEWAE-UHFFFAOYSA-N 259.290 2.845 0 1 CFAF CC1=CC[C@H](O)C(C)=C[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 1857542366 RLHPCSSGTQNSJN-XDQVBPFNSA-N 250.338 2.602 0 1 CFAF Cc1cccc(Nc2n[nH]c3c2CN(C(=O)C2CC2)CC3)c1 1772589753 QSOUCRGIBJRTAG-UHFFFAOYSA-N 296.374 2.756 0 1 CFAF CN1C[C@@]2(C)OC(=O)C(Cl)=C2C[C@@H]1c1ccccc1 13118810 ZLCXKDYXSQYNRL-IUODEOHRSA-N 277.751 2.872 0 3 CFAF COC1=CC(=O)O[C@H](/C=C\c2ccc(OC)c(OC)c2)C1 13340549 FISBBPCLKKQWQA-TXNVCOODSA-N 290.315 2.563 0 1 CFAF endogenous,in-man CC(C)(C)c1nc(NC(N)=O)ncc1-c1ccccc1 169318537 WYHRDEVJWJVNMG-UHFFFAOYSA-N 270.336 2.932 0 1 CFAF CC(=O)CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C 169315498 QCLUMZUOIDBYCP-MORSLUCNSA-N 287.403 2.896 0 1 CFAF O=C(NCCC1=CCCCC1)[C@@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O 169694009 BJWCSXUZTHCWID-GBJTYRQASA-N 291.391 2.740 0 1 CFAF C[C@@H]1C(=O)S[C@](C)(Cc2ccc(F)cc2)C1=O 169719255 SRLDZLRFVVSJBE-ISVAXAHUSA-N 252.310 2.606 0 1 CFAF CC[C@H](C)SC(=S)NCCCC[S@](C)=O 1857653397 YTMCRIOERFBKDH-VFZGTOFNSA-N 267.485 2.551 0 1 CFAF CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(N)cc13 13532319 CYPHSPITDGFDMD-USXIJHARSA-N 256.393 2.957 0 1 CFAF C[C@@]12N[C@@H](Cc3ccc(CO)cc31)c1ccccc12 13886750 MGHQMHINCTWWNB-IRXDYDNUSA-N 251.329 2.643 0 1 CFAF COc1cc(-c2ccccn2)cc2c(C)cc(=O)[nH]c12 26498359 ZWZHFBXJIFOBOZ-UHFFFAOYSA-N 266.300 2.907 0 1 CFAF CC[C@H]1Cc2cc(OCC(=O)O)c(C)c(C)c2C1=O 39220266 DCYVMUIQRHXPHD-JTQLQIEISA-N 262.305 2.532 0 1 CFAF CN(C(=O)c1c(O)[nH]c2ccccc2c1=O)c1ccccc1 4885 ZZCUZAQEHJPLGL-UHFFFAOYSA-N 294.310 2.510 0 1 CFAF c1ccc(N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 181886 MVECBLIDFXQFDF-ZMSDIMECSA-N 256.393 2.997 0 1 CFAF C[C@]12[C@@H]3C[C@H](C[C@@H]1N(C(=O)c1ccccc1)C3)[C@@]2(C)CO 102957685 CTNCSHKEEQKIDX-XHHISWJOSA-N 285.387 2.556 0 1 CFAF Cc1cc(N)c2c(c1)CN1CN2Cc2cc(C)cc(N)c21 103182860 UGZPJEATBJKJTD-UHFFFAOYSA-N 280.375 2.766 0 1 CFAF CC(/C=C/C(=O)O)=C\[C@@H](C)S(=O)(=O)c1ccc(F)cc1 66101679 LXBQJYOZXKVJCX-NPWUIRHHSA-N 298.335 2.575 0 1 CFAF Cc1n[nH]c(N)c1-c1nc2ccc(CN(C)C)cc2s1 114399177 IUINLGIEEUGQST-UHFFFAOYSA-N 287.392 2.639 0 1 CFAF NCc1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4 28569871 QWFZXGNXEMWPGH-UHFFFAOYSA-N 291.354 2.512 0 1 CFAF Cc1ccc(CNc2ccc3nc(N)nc(N)c3c2)cc1 28001869 SPEYKVKSDHEWDG-UHFFFAOYSA-N 279.347 2.715 0 1 CFAF COc1ccc2c(c1)[C@H](CO)[C@@H]1[C@](C)(CO)CCC[C@@]21C 2356573198 CQFAKEZQTNGFFI-RANZSIQMSA-N 290.403 2.841 0 1 CFAF O=C(Cc1ccc(O)cc1)[C@H](O)Cc1c[nH]c2ccccc12 2356609639 IEROEXCOOYBHPG-GOSISDBHSA-N 295.338 2.589 0 1 CFAF C[C@@H]1C[C@@H]2CC(=O)[C@H]3CCCN4CCCC[C@]32[C@@]4(O)C1 2356704216 LIAOMFRUDNEIRY-ZJPZJRRFSA-N 277.408 2.576 0 1 CFAF CO[C@@]1(C)Cc2ccc3c(c2CO1)O[C@H](C(C)C)C3=O 2356719278 UBHRGEKXMCFPAP-GDBMZVCRSA-N 276.332 2.722 0 1 CFAF O=C(O)C[S@@](=O)CCc1ccc(-c2ccccc2)cc1 45287868 JPUWBNMOSGBVRW-HXUWFJFHSA-N 288.368 2.729 0 1 CFAF in-vivo Oc1nc(O)c2cc3c(nc2n1)Cc1ccc(Cl)cc1C3 587369299 ZJRKRSJDBOYZIG-UHFFFAOYSA-N 299.717 2.584 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@]1(C)CCCO1)O2 587410927 HLFCCOZYSCLDOT-HZPDHXFCSA-N 275.348 2.870 0 1 CFAF Cc1cnc2[nH]c([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc2c1 586884443 IFRNURXVLVHPEZ-WOPDTQHZSA-N 267.332 2.905 0 1 CFAF O[C@H]1CC[C@@H](c2nc3cc(Br)cnc3[nH]2)CC1 586898084 GIRAOTPMZXRKGT-OTSSQURYSA-N 296.168 2.739 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccn3nccc3c1)O2 587394902 LDHUJTYYTOCTED-INIZCTEOSA-N 293.326 2.931 0 1 CFAF CCOC(=O)Cc1nc2cccc(OC(F)(F)F)c2[nH]1 587777686 VYMMPNFTHABMRN-UHFFFAOYSA-N 288.225 2.567 0 1 CFAF CCCC[C@@]1(COC)NCCc2c1c(C(C)C)nn2C 962925328 YWWQFOJOKKCUGU-INIZCTEOSA-N 279.428 2.721 0 1 CFAF C#CC[C@](C)(CN)c1cccc(-c2ccnc3[nH]ncc23)c1 167014976 JRQBOITVURSPGA-GOSISDBHSA-N 290.370 2.865 0 1 CFAF CC(C)(O)c1ccc(-c2nc(=O)c3c(F)cccc3[nH]2)cc1 210812826 LANJYZWTSUUASB-UHFFFAOYSA-N 298.317 2.957 0 1 CFAF O=C(Nc1nc2ccc(Cl)cc2s1)C1COC1 134858827 FLIGFEMQZRDQSA-UHFFFAOYSA-N 268.725 2.535 0 1 CFAF O=C(O)c1nccc(-c2ccc(Cl)c(F)c2)n1 1772575901 DTUNOBYXOUURCD-UHFFFAOYSA-N 252.632 2.634 0 1 CFAF COc1cc(OC)c2c(O)c3c(cc2c1)O[C@H](C)CC3=O 13480578 AHQXDHIRTWHABS-MRVPVSSYSA-N 288.299 2.916 0 1 CFAF NC(=O)N(O)[C@H]1COc2ccc(Oc3ccccc3)cc21 13760636 ZNQGRDJOUUDKBL-ZDUSSCGKSA-N 286.287 2.682 0 1 CFAF CN1CCN(c2nc3c(c4c2CCCC4)CCCC3)CC1 13778645 JFFVUDWEKNWLBQ-UHFFFAOYSA-N 285.435 2.591 0 1 CFAF C[C@@H](c1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 169300937 SZNBRPRZLSIWNS-PEGQSHTKSA-N 293.366 2.801 0 1 CFAF Clc1cccc(-n2cnc(-c3cc4[nH]nnc4cn3)c2)c1 1857655488 JBJDLWPSFZCGLI-UHFFFAOYSA-N 296.721 2.859 0 1 CFAF COc1cccc2c(-c3ccncc3)cc(=O)[nH]c12 26490085 METJXQAEKRGGLE-UHFFFAOYSA-N 252.273 2.599 0 1 CFAF Cc1ccc(C(=O)c2cccc(CC(=O)O)c2N)c(C)c1 28770631 XACINTMLMWIYOE-UHFFFAOYSA-N 283.327 2.744 0 1 CFAF CC1(C)O[C@@](C)(c2nc3ccccc3[nH]2)CC[C@@H]1CO 1648733 IRCXCKNENYJVPV-BDJLRTHQSA-N 274.364 2.976 0 1 CFAF CC[C@H](C)NC(=O)Cn1cccc1C(=O)c1ccccc1 4101243 HUVWYKPMSIFJQM-ZDUSSCGKSA-N 284.359 2.634 0 3 CFAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(F)c(C)c1)N2 101028806 MMLRFWSQUZRITP-MYZSUADSSA-N 277.339 2.531 0 1 CFAF CCc1nnc(/N=c2\ssnc2Cl)s1 59064072 ZARWSRRTHPBBBP-YVMONPNESA-N 264.788 2.504 0 1 CFAF CCC(=O)N(c1ccc(OC)cc1)[C@H]1CCC[C@@H]1N(C)C 28238623 JWPRISLADJWQIY-HOTGVXAUSA-N 290.407 2.921 0 1 CFAF CCCC[n+]1cccc2c1CC[C@@H]1[C@@H]2CCC[C@H]1O 26285269 AMVOCAFZNUMROI-FRFSOERESA-N 260.401 2.965 0 1 CFAF CNC(=O)N(C)[C@@H]1c2cc(OC)ccc2Oc2ncccc21 28006500 UWAWDSGPDKBVSW-AWEZNQCLSA-N 299.330 2.557 0 1 CFAF O=c1oc2cc(O)ccc2cc1Cc1ccc(O)cc1 48983245 LFZKQNNCOZCLAK-UHFFFAOYSA-N 268.268 2.795 0 1 CFAF biogenic,in-vitro O=C(O)Cc1ccc2c(c1)CC(=O)c1ccccc1O2 78193316 VCKPEZFBBTZRPT-UHFFFAOYSA-N 268.268 2.845 0 1 CFAF O=C(Cc1ccccc1)N1CCCC[C@H]1CN1CCCC1 144166998 WDBNPHUUTZPUEV-KRWDZBQOSA-N 286.419 2.706 0 1 CFAF CCCCCC(=O)c1ccc(CN2CC(C(=O)O)C2)cc1 145588065 WTAPDEUYIWFOCF-UHFFFAOYSA-N 289.375 2.966 0 1 CFAF C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)OCC4=C3C=C[C@@]21C 253688427 NZWFKVWCAKLIHV-DHXZDTOLSA-N 286.371 2.913 0 1 CFAF c1ccc(CCN[C@H]2[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)cc1 261125051 KBAKPEFQDPCCTP-HUHJLJJHSA-N 265.400 2.965 0 1 CFAF CN(CCc1ccccn1)[C@@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@H]14 299845759 YLVXPEMITKSDOS-SDWFYRCOSA-N 280.415 2.702 0 1 CFAF NC1CCC(c2nc3cc(Br)ncc3[nH]2)CC1 587256687 MWTRGXPBSUQSQO-UHFFFAOYSA-N 295.184 2.705 0 1 CFAF O=C(O)c1cc2nc(-c3cnc(Cl)nc3)[nH]c2cc1F 587085845 KQDWTVRAPGOIKO-UHFFFAOYSA-N 292.657 2.511 0 1 CFAF C=C1C=C(NN)n2nc(C)c(-c3ccccc3Cl)c2N1 957592846 BTWANLGMSXDUBM-UHFFFAOYSA-N 287.754 2.713 0 1 CFAF CCCC[C@H](CC)CNC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2 13153650 LDANTJAENASOOT-AHDPXTMNSA-N 293.407 2.842 0 1 CFAF C[C@H](Oc1ccccc1-c1ccncc1)C1=NCCN1 13585559 DPCJPADNVXIGHH-LBPRGKRZSA-N 267.332 2.518 0 1 CFAF CO[C@H]1c2ccccc2-c2c3c(cc4c2[C@H]1NCC4)OCO3 14618062 OBJBIHSGZLMMBX-SJORKVTESA-N 295.338 2.970 0 1 CFAF COc1cc2c(cc1O)-c1ccc(O)cc1CC[C@H]2CO 207768290 OPBSKOXPQSRNGB-NSHDSACASA-N 286.327 2.796 0 1 CFAF COc1ncccc1CN[C@@H]1[C@H]2Cc3ccccc3[C@H]21 1857538601 DTUNXWAQEYIEPD-ARFHVFGLSA-N 266.344 2.518 0 1 CFAF COc1ccccc1NC(=O)[C@H]1CCCC[C@]1(C)C(=O)O 1857771232 KHNYQPQINITBQI-BZNIZROVSA-N 291.347 2.915 0 1 CFAF CCCn1cnc2c(=O)[nH]c(-c3ccccc3OCC)nc21 17958 HBPSFVFPHQLJNX-UHFFFAOYSA-N 298.346 2.595 0 1 CFAF CCOC(=O)c1cc(/C=C/C(C)=C/C(=O)OC)n(C)c1C 1625596 KKXKUNPOYVZWKX-MFDVASPDSA-N 291.347 2.643 0 1 CFAF O=c1[nH]c(-c2ccc3c(c2)OCO3)cn1-c1ccc(F)cc1 2461885 IVIIDCXNUVOSNB-UHFFFAOYSA-N 298.273 2.700 0 1 CFAF CC1=C[C@H](CO)[C@@H](C(C)C)C[C@@H]1Cc1nnc(C)o1 2356320815 ORKBQXNJEYEYHX-MGPQQGTHSA-N 264.369 2.767 0 1 CFAF CCc1cc(O)n2nc(C)c(-c3ccccc3OC)c2n1 101257762 YNKRYMNYDYVOCB-UHFFFAOYSA-N 283.331 2.981 0 1 CFAF CC(C)Oc1cncc(C2=C[C@@H]3CNC[C@@H](C2)C3)c1 101576269 LYGZRGMHPFAAMR-CHWSQXEVSA-N 258.365 2.882 0 1 CFAF Cc1nc2cc(-c3noc(-c4cnccn4)n3)ccc2o1 65149599 VDMDIADJKTUVLE-UHFFFAOYSA-N 279.259 2.643 0 1 CFAF CC(=O)CC[C@@H]1[C@@H]2C[C@@H]3[C@H](C[C@]21C)OC(=O)[C@@H]3C 2356483799 YEQKGSUBFXHBAX-WZUGGRCDSA-N 250.338 2.579 0 1 CFAF CNC[C@@H](O)[C@H](c1ccc(F)cc1)n1ccc2ccccc21 38213680 AKRRCLREANRVLZ-MSOLQXFVSA-N 298.361 2.950 0 1 CFAF O=C1[C@@H]2CCCC[C@H]2C(=O)N1Nc1ccccc1Cl 40379388 GCXXLGNMQQUHTE-NXEZZACHSA-N 278.739 2.842 0 1 CFAF FC(F)(F)C[C@@H]1CN2CCNCc3cccc1c32 1911577647 RJTYUQILGKNDIK-SNVBAGLBSA-N 256.271 2.646 0 1 CFAF Cc1cc(Cl)cc(C2=NN(C(=N)S)CC2)c1 40564246 NDVBYOZSEYDAPL-UHFFFAOYSA-N 253.758 2.923 0 1 CFAF CN(C)C(=O)/C=C/c1cc2c(c(C(F)(F)F)c1)OCO2 147972840 IIGXTFNXNPNMAW-ONEGZZNKSA-N 287.237 2.536 0 1 CFAF COc1cc(/C=C/COC(=O)C=C(C)C)cc(OC)c1O 238780258 QITIZCWKSNPVEL-AATRIKPKSA-N 292.331 2.932 0 1 CFAF CN1C(=O)S/C(=C\C2=Cc3ccccc3OC2)C1=O 95594922 HSMQNHMMFFLHRZ-GHXNOFRVSA-N 273.313 2.672 0 1 CFAF c1cncc(-c2nnc3sc(-c4ccoc4)nn23)c1 299823000 JFXMMKHCUBRLGO-UHFFFAOYSA-N 269.289 2.508 0 1 CFAF c1c[nH]c2nc([C@@H]3SCCc4sccc43)nc-2n1 587037006 QEUUMJWIQWAKLO-SECBINFHSA-N 274.374 2.745 0 1 CFAF NC1CC(Cc2nc3ccc(F)c(Br)c3[nH]2)C1 587255221 JJTZJRQQXIUOIN-UHFFFAOYSA-N 298.159 2.744 0 1 CFAF Oc1ncnc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 587023236 GGKKQZLLMAEBIF-UHFFFAOYSA-N 295.327 2.849 0 1 CFAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc[nH]1)CC2=O 587480085 BZWPTODPSGDWNO-INIZCTEOSA-N 286.331 2.948 0 1 CFAF N=c1[nH]ccc2nc(/C=C/c3ccc(F)cc3F)[nH]c12 587152150 ZOSAPQBAPSEODN-DUXPYHPUSA-N 272.258 2.819 0 1 CFAF COc1ccc2c(c1)C[C@H](c1nc3ncc[nH]c-3n1)CC2 587947097 SKUUXZBWSJKQBW-LLVKDONJSA-N 280.331 2.586 0 1 CFAF Cc1ccnc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587393920 OIGGJGUNXSDDPJ-OAHLLOKOSA-N 268.316 2.987 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](CC(=O)O)C1)O2 587410139 YHFYBXHTRGBUHR-QLJPJBMISA-N 289.331 2.556 0 1 CFAF COC(=O)[C@H](c1ccccc1)n1sc2ccccc2c1=O 1772601154 ATAHJDLNCISCGS-AWEZNQCLSA-N 299.351 2.825 0 1 CFAF CN(C)C(=O)N1N[C@H](c2ccccc2)[C@@H]1c1ccccc1 5845456 DRFWDUPHRIKCAZ-CVEARBPZSA-N 281.359 2.971 0 1 CFAF C[C@H]1CCC[C@H](C)N1CCCNC(=O)Cc1ccccc1 13734025 ZYYUCBOQWQTQNQ-HOTGVXAUSA-N 288.435 2.998 0 1 CFAF O=C(c1cc(-c2ccncc2)[nH]n1)N1CCc2ccccc21 15785451 NUSICSHJQSATDS-UHFFFAOYSA-N 290.326 2.675 0 1 CFAF C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1O 4960481 KMTCRDRWKJLWTR-XHDPSFHLSA-N 253.301 2.895 0 3 CFAF COc1ccc2c(c1)[C@]13CCN(C)[C@@H](C2)[C@@H]1C[C@H](C)C(=O)C3 100787925 ZLXURWCZUPCRCD-SJIKZXFPSA-N 299.414 2.808 0 1 CFAF O=C1Oc2ccc(O)cc2/C1=C/c1ccccc1O 53230250 YWTVHACGTHBNAJ-GHXNOFRVSA-N 254.241 2.557 0 1 CFAF O=C(NC(=O)c1nc2cc(F)ccc2[nH]1)Nc1ccccc1 103290466 PGSKGMBTNYDIKK-UHFFFAOYSA-N 298.277 2.664 0 1 CFAF O=C1C[C@@H](c2n[nH]c3ccccc23)C(=O)N1c1ccccc1 102964021 MWUSCTNCQRDWKA-ZDUSSCGKSA-N 291.310 2.610 0 1 CFAF C[C@@H]1C[C@H]2Nc3ccc(Br)cc3N2C(=S)N1 103201888 SJXRXYFVFQHGQV-LDWIPMOCSA-N 298.209 2.674 0 1 CFAF Cc1ccc2oc(=O)n(Cc3cccc(N)c3)c2c1 64548472 PENWPPOWDMCCPJ-UHFFFAOYSA-N 254.289 2.533 0 1 CFAF COc1cc(Cn2c(=O)oc3ccc(C)cc32)cc(OC)c1 64539412 CJJDBLVCFDTRQN-UHFFFAOYSA-N 299.326 2.968 0 1 CFAF O=c1ccc2ncn(-c3ccccc3C(F)(F)F)c2[nH]1 68198025 PQPKVCQQRNTDDR-UHFFFAOYSA-N 279.221 2.733 0 1 CFAF O=C(c1ccc(Cl)cc1)c1ccc2n1C[C@H](C(=O)O)C2 25997098 OXSPDFAQTOQHHJ-SNVBAGLBSA-N 289.718 2.629 0 1 CFAF COc1cccc2c1C[C@@H]1[C@@H]3CCC(=O)C[C@]23CCN1C 64470155 MVEKQAZWSSJDOM-LZLYRXPVSA-N 285.387 2.562 0 1 CFAF c1ccc(CN2CCN(C[C@@H]3CSCS3)CC2)cc1 1911574186 YEBCMFLMLQEJBU-OAHLLOKOSA-N 294.489 2.610 0 1 CFAF O=c1[nH]c(Cc2ccccc2)nc2c1cnn2C1CCCC1 44713071 FVOYQCUKGQGDKH-UHFFFAOYSA-N 294.358 2.826 0 1 CFAF in-vitro C=CS(=O)(=O)NCCc1cccc(-c2ccccc2)c1 618017239 IARNJHUNROEHFV-UHFFFAOYSA-N 287.384 2.959 0 1 CFAF Cc1cc(C)n(C[C@@H](C)C(=O)Oc2ccccc2)n1 621476494 HGKYLQJNNXIXMA-LLVKDONJSA-N 258.321 2.742 0 1 CFAF Cc1cnc(Cl)c2[nH]c(-c3nnn(C)c3C(F)F)nc12 587128247 HYBFQKOIPPLCFW-UHFFFAOYSA-N 298.684 2.653 0 1 CFAF COc1ccc(NC(C)(C)c2nc3c(N)ccnc3[nH]2)cc1 587201533 QWSOETSMCRLHGH-UHFFFAOYSA-N 297.362 2.896 0 1 CFAF O=C1O/C(=C\c2nc3cc(F)cnc3[nH]2)c2ccccc21 586906255 KIMFVGGHOBQOQF-SDQBBNPISA-N 281.246 2.766 0 1 CFAF COc1cc2c3c(c1)O[C@](C)([C@H](C)F)[C@@H](C2)C3=O 587419957 DNOZQJIBCBATGA-MRCLBUSBSA-N 250.269 2.559 0 1 CFAF COc1cc(Cl)ccc1-c1nc2ccnc(O)c2[nH]1 587066828 SXANMCLSBWXVFJ-UHFFFAOYSA-N 275.695 2.993 0 1 CFAF CCCc1c(O)ccc2c1O[C@@](C)(COC(C)=O)CC2=O 587484606 STFLQCZTWSPPRG-MRXNPFEDSA-N 292.331 2.632 0 1 CFAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]1OC)CC2=O 587482115 RYYXYRCUZKUTNQ-GOEBONIOSA-N 276.332 2.858 0 1 CFAF COc1ccc2[nH]c(-c3oc4c(c3C)[C@H](O)CCC4)nc2n1 586903296 ILYGUIMJSBWOGI-SNVBAGLBSA-N 299.330 2.905 0 1 CFAF N[C@@]1(c2nc3ccc(O)cc3[nH]2)C[C@H]1c1ccccc1F 587154743 GHWBUBAJXSOMAX-ZBEGNZNMSA-N 283.306 2.749 0 1 CFAF COc1cc(/C=C/c2cc(C)no2)cc(OC)c1O 3764 CFGLNBSICDYSTO-SNAWJCMRSA-N 261.277 2.876 0 1 CFAF Cc1cnc(C(=O)NCCCOc2ccccc2)s1 1857566552 KPNOHGSNLXPETR-UHFFFAOYSA-N 276.361 2.650 0 1 CFAF C[C@@H]1CCCC[C@@H]1c1nnn2cnc3[nH]ccc3c12 1772614050 YJOZVKAKNWBYQO-ZJUUUORDSA-N 255.325 2.899 0 1 CFAF CC(=O)OCCc1c(C)cc2c(c1CO)CC(C)(C)C2 14516153 ZJAKEFVBKGPHKX-UHFFFAOYSA-N 276.376 2.718 0 1 CFAF CCN1C(=O)N[C@H](CCc2ccccc2)[C@@H](C(C)=O)[C@@H]1C 169331467 ZGEBMMSVPHZVMT-APHBMKBZSA-N 288.391 2.627 0 1 CFAF Cc1ccc(C)n1[C@@H]1C(=O)N(C)c2c(F)cccc21 206027792 NTRGFEQRTQADMK-AWEZNQCLSA-N 258.296 2.810 0 3 CFAF C[C@@H](CCN(C)C)Nc1cc(O)cc2cccnc12 2041666 BSFODEXXVBBYOC-NSHDSACASA-N 259.353 2.693 0 1 CFAF CC1=C2C(=O)O[C@H](c3ccoc3)[C@@]2(C)CC[C@H]1CO 2356365327 JXFVXBAQROLVFV-ZBINZKHDSA-N 262.305 2.603 0 1 CFAF Cc1cc(Nc2ccc(F)cc2F)n2nc(C)nc2n1 4923267 KVIHYKANPOHTGD-UHFFFAOYSA-N 275.262 2.763 0 3 CFAF COC(=O)N[C@@H](CC(C)=O)c1ccc(Cl)cc1 7992288 DEEKWPYEUGAKSM-NSHDSACASA-N 255.701 2.716 0 1 CFAF O=C(O)CCCCCCC(=O)OCCCCCCCO 59585768 GYIGDLSEXBLGGP-UHFFFAOYSA-N 288.384 2.898 0 1 CFAF biogenic,in-vitro CC(=O)Nc1c(NC(C)C)c2ccccc2oc1=O 103834913 ZHLUEJPVJAMHNC-UHFFFAOYSA-N 260.293 2.572 0 3 CFAF Nc1cc(C(=O)N2CCCCC2)cc(C(F)(F)F)c1 102957077 KUQBYTROSHQRJI-UHFFFAOYSA-N 272.270 2.914 0 1 CFAF CC(C)CCSc1cccc(OS(C)(=O)=O)n1 103180807 MHVOCOHUEXUYEX-UHFFFAOYSA-N 275.395 2.558 0 1 CFAF CC(C)C(=O)N1CC[C@@]1(C)C(=O)Nc1ccc2[nH]ccc2c1 61898102 UEZPTZXEGUKVSN-KRWDZBQOSA-N 299.374 2.753 0 3 CFAF CN1C[C@@H](c2ccc(O)cc2)Cc2ccc(O)cc21 28865911 LUFRGFLTIGIXEQ-ZDUSSCGKSA-N 255.317 2.874 0 1 CFAF COC(=O)C1=C(c2ccc(F)cc2)C[C@@H]2CC[C@H]1O2 28392092 AQYGKZKOQFVRAD-WCQYABFASA-N 262.280 2.704 0 1 CFAF Cc1c(O)cc(C(=O)Cc2ccc(O)cc2)c(O)c1C 64549566 NSDONCAFWPOWJF-UHFFFAOYSA-N 272.300 2.846 0 1 CFAF O=C(CCc1ccccc1O)C[C@@H](O)Cc1ccccc1 49784662 ONOSEXZPOUPBRP-KRWDZBQOSA-N 284.355 2.888 0 1 CFAF CCSCCNc1nc(N2CCCC2)ncc1C 82201816 JAKKKXHDXRSCAP-UHFFFAOYSA-N 266.414 2.550 0 1 CFAF O=C(O)C1(Sc2ccnc3ccc(CO)cc23)CCC1 220121899 KKXGXMXQGKQUBH-UHFFFAOYSA-N 289.356 2.827 0 1 CFAF CNC(=O)COc1cccc(Nc2cc(Cl)ccn2)c1 98208214 CPVIJBMDWOGCHR-UHFFFAOYSA-N 291.738 2.603 0 1 CFAF in-vitro C/C=C/c1cc(=O)c2c(CC(C)=O)cc(OC)cc2o1 238784236 YVHKXMFRCMVFLY-SNAWJCMRSA-N 272.300 2.966 0 1 CFAF O=C(O)/C=C/C=C\c1nc2c(Cl)ncc(Cl)c2[nH]1 587969742 VXJLIMZMIMGBKT-HSFFGMMNSA-N 284.102 2.919 0 1 CFAF Fc1cnc2[nH]c(CSc3nnc(S)s3)nc2c1 587026457 XRFAOTSLZGUAKK-UHFFFAOYSA-N 299.381 2.530 0 1 CFAF Cc1cnc(Cl)c2[nH]c(C3CCC(N)CC3)nc12 587256160 BXNKAXUTPFQBGB-UHFFFAOYSA-N 264.760 2.905 0 1 CFAF Oc1nncc2nc(/C=C\c3ccc(F)cc3F)[nH]c12 587151285 RNOUDRWAWWDTTE-RQOWECAXSA-N 274.230 2.507 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(C)c1C)[C@@H](C2)C3=O 587433446 YIMDMHQCNAVRKA-YVEFUNNKSA-N 298.342 2.534 0 1 CFAF CN(C)C[C@H](O)[C@@H](c1ccccc1)c1cccs1 169314849 BPKWHOZTMDXXBA-DZGCQCFKSA-N 261.390 2.803 0 1 CFAF OCCNc1ccnc(Nc2cccc(C(F)(F)F)c2)n1 1772571687 SUBVDFDGKDBVPZ-UHFFFAOYSA-N 298.268 2.643 0 1 CFAF O=C(Nc1cccc(F)c1)c1cc(=O)n(O)c2ccccc12 1857630225 KOXDEMRREAXJMI-UHFFFAOYSA-N 298.273 2.630 0 1 CFAF CCN(CC)CCOC(=O)[C@](C)(CF)c1ccccc1 27436212 PQIWJERWEJDQRL-MRXNPFEDSA-N 281.371 2.799 0 1 CFAF ClC1(Cl)[C@@H]2CCO[C@@]21n1cnc2ccccc21 1648717 FBFWSQQSRNUUDF-JQWIXIFHSA-N 269.131 2.913 0 1 CFAF CO[C@@]12C=C[C@@H](CC1)[C@H]1C(=O)c3c(C)c(C)n(C)c3C(=O)[C@@H]12 1653980 NDTURTFDFKXIBS-UTDUODGLSA-N 299.370 2.618 0 1 CFAF O=C([C@@H]1C[C@H]2C=C[C@@H]1C2)N1CCN(c2ccccc2)CC1 3406877 XFIHTPPEWXZMBK-ZMSDIMECSA-N 282.387 2.547 0 1 CFAF Cc1cc(=O)[nH]c2cc(Nc3ncccc3C(=O)O)ccc12 103197921 TXSMMUPJYBUPRS-UHFFFAOYSA-N 295.298 2.673 0 1 CFAF N=c1oc2ccccc2cc1C(=O)Nc1cccc(O)c1 26483539 BHUUPZWKRCNTEP-UHFFFAOYSA-N 280.283 2.870 0 1 CFAF CN[C@@H](C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1 29135132 YBOKDFRWLQIMKO-NSHDSACASA-N 297.333 2.805 0 1 CFAF COC(=O)C[C@@H](CCCCCCC[C@H](C)O)OC(C)=O 2356615816 MSACOKMSHHWWRF-GXTWGEPZSA-N 288.384 2.593 0 1 CFAF CCc1cc(/C=C\C(N)=O)cc(C(=O)c2ccccc2)c1 213343458 XMEPOMUQTCQNMC-HJWRWDBZSA-N 279.339 2.979 0 1 CFAF Cc1oc2cc(O)cc(O)c2c(=O)c1-c1ccc(O)cc1 34051298 WCAASHCMRJSIIY-UHFFFAOYSA-N 284.267 2.885 0 1 CFAF O=C(Oc1ccc(Cl)cc1)N1CCN2CCC1CC2 43080702 GQFQQNUESWTTHF-UHFFFAOYSA-N 280.755 2.619 0 1 CFAF CC/C=C/C=C/[C@@]1(C)Oc2cc(C)[nH]c(=O)c2C1=O 238786842 CFWCYJBZDBUGNX-RWKJKKPOSA-N 259.305 2.540 0 1 CFAF CCCSc1ncccc1C(=O)N(C)C1CCOCC1 95573637 RKRDGRVVVKJPHZ-UHFFFAOYSA-N 294.420 2.835 0 1 CFAF C[C@H](CCC(=O)O)Cc1nc2cc(Cl)ncc2[nH]1 587960489 JJEZVLFKYLKMLT-SSDOTTSWSA-N 267.716 2.655 0 1 CFAF COc1cc2c3c(c1)O[C@@H](C1(C)CCOCC1)[C@@H](C2)C3=O 587452173 JOXNAXAHGRMYEN-BLLLJJGKSA-N 288.343 2.628 0 1 CFAF CC(C)[C@@H](c1nc2ccnc(Cl)c2[nH]1)N(C)C 587198472 FSVYOFGYUVWEHN-JTQLQIEISA-N 252.749 2.870 0 1 CFAF OCc1cccc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 586895771 XXBQCWLYISQLGH-UHFFFAOYSA-N 264.288 2.599 0 1 CFAF Cc1ccc(C)c(Cc2nc3c(O)nc(S)nc3[nH]2)c1 587960146 XRTKVESYYHIJGV-UHFFFAOYSA-N 286.360 2.555 0 1 CFAF CC[C@@H](C)[C@H]1CCCc2cc3c(O)nc(O)nc3nc21 587562423 ZZDKDHOCBLOBJW-PSASIEDQSA-N 273.336 2.902 0 1 CFAF COC(=O)c1c(-c2cnccn2)[nH]c2cccc(F)c12 587637077 USSQENJKLRBKJN-UHFFFAOYSA-N 271.251 2.551 0 1 CFAF Cc1nccc2[nH]c(-c3cc(=N)[nH]c4ccccc34)nc12 587254388 SEZNMFODKBKWHB-UHFFFAOYSA-N 275.315 2.894 0 1 CFAF CCOCCOCc1nc2cc(OC)c(Cl)cc2[nH]1 587779180 VOMCUDRUGSPDDT-UHFFFAOYSA-N 284.743 2.778 0 1 CFAF N=C(N)c1ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c1 587175050 VRSDCDSSELVJJC-CQSZACIVSA-N 296.305 2.662 0 1 CFAF Nc1cc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2cc1N 587175516 ZJORXYMUIBBNRV-AWEZNQCLSA-N 284.294 2.543 0 1 CFAF COc1cc(OC)c([C@@H](C)O)c2c1C=CC(C)(C)O2 13327687 ZRKSALJHUZUWFG-SECBINFHSA-N 264.321 2.941 0 1 CFAF Cn1c(C2CC2)cs/c1=N\C(=O)c1ccccc1 207473187 WESAVHHFTAJNHZ-PFONDFGASA-N 258.346 2.705 0 1 CFAF C[C@]12C[C@H]3[C@H]([C@@H]1n1cnc4c(Cl)ncnc41)[C@@H]3C2 1857621923 KIWDUNMWYRIGDM-DQLLGVMBSA-N 260.728 2.697 0 1 CFAF Fc1ccc2nc(-c3cccnn3)n(C3CC3)c2c1 1250828996 YSEZQXBJGZVKFR-UHFFFAOYSA-N 254.268 2.967 0 1 CFAF Clc1ccccc1-c1nccc(-n2ccnc2)n1 4239461 FXDOVHUSFOBQHP-UHFFFAOYSA-N 256.696 2.983 0 1 CFAF CC(C)C1=C(O)[C@@H]2[C@](C)(O)CC[C@H](O)[C@]2(C)CC1 2356331644 MCIPMASIVZSBIJ-CYUUQNCZSA-N 254.370 2.777 0 1 CFAF CCCCOC(=O)c1c(C)c(Cl)c(C)[nH]c1=O 9971498 VZEICTVLYYTHTC-UHFFFAOYSA-N 257.717 2.602 0 1 CFAF O=S(=O)(c1ccccc1)n1ccnc1-c1ccccc1 64503518 YGLHTUYRRMGMTD-UHFFFAOYSA-N 284.340 2.787 0 1 CFAF OC12C[C@@H]3CC(C[C@@H](C3)C1)N2Cc1cccc(F)c1 72105442 HWJPNIWBTALDDO-YPXDRJKUSA-N 261.340 2.909 0 1 CFAF Fc1c(NC2CC2)nc(C2CC2)nc1N1CCSCC1 38143364 RFWRTNNKLHHJRZ-UHFFFAOYSA-N 294.399 2.621 0 1 CFAF CCOc1cncc(-c2cc3c4c(c2)CCN4C(=O)CC3)c1 71318766 FUMGICOYLBIECG-UHFFFAOYSA-N 294.354 2.983 0 1 CFAF NC(=S)N1N=C2CCCC[C@@H]2[C@H]1c1cccs1 139900439 OFPYMRKXNCKFBA-KWQFWETISA-N 265.407 2.895 0 1 CFAF CN(CC(=O)O)c1ccc2c(c1)-c1cccnc1SC2 653700711 KYXBVKANDRMCNM-UHFFFAOYSA-N 286.356 2.875 0 1 CFAF CC1=C(C(=O)OC(C)C)[C@@H](c2ccoc2)n2ccnc2N1 653745114 DSMIPQLMUFQGPC-CYBMUJFWSA-N 287.319 2.717 0 1 CFAF Oc1nc(-c2nc3cncc(Br)c3[nH]2)cs1 587017319 KUBAVLLOKPWJDO-UHFFFAOYSA-N 297.137 2.550 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1cc[nH]c1)[C@@H](C2)C3=O 587438993 SPYRWZXZYAJROX-XHDPSFHLSA-N 255.273 2.512 0 1 CFAF CN(C)c1ccc(-c2nc3c(Cl)nccc3[nH]2)nc1 587194367 FKIXTLLMPLPJQH-UHFFFAOYSA-N 273.727 2.739 0 1 CFAF O[C@H]1CC[C@@H](c2nc3cc(F)cc(F)c3[nH]2)CC1 586899164 NCUFHCOJIAPAKP-OTSSQURYSA-N 252.264 2.860 0 1 CFAF COc1cc2c(c(OC)c1CCC(=O)O)C=CC(C)(C)O2 13484917 HRPQBIHMKOZZMR-UHFFFAOYSA-N 292.331 2.905 0 1 CFAF biogenic,in-vitro C[C@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)OCO3)[C@@H]1C 14245375 NWZUEDXERQPFEM-DMDPSCGWSA-N 275.348 2.970 0 1 CFAF Cc1c2c(c(C)n1C1CC1)[C@@](C)(C(N)=O)CC2(C)C 169315813 SOOLTWMIYAOSEG-INIZCTEOSA-N 260.381 2.864 0 1 CFAF O=c1c2cnc3cccc(O)c3c2[nH]n1-c1ccccc1 169325459 KWWRQFCQHZCLNN-UHFFFAOYSA-N 277.283 2.573 0 1 CFAF O=C(C1CC1)N1CCN=C1SCc1ccccc1 4119790 UDDFRVZYRABJNZ-UHFFFAOYSA-N 260.362 2.528 0 3 CFAF O=C1c2[nH]c3ccccc3c2CCN2CCCC[C@H]12 6004828 IKUMTQZGVXFFFC-CQSZACIVSA-N 254.333 2.761 0 1 CFAF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc2cccnc2c1 101008475 OCPHXKBVXMHLTL-BHTHQVBYSA-N 290.322 2.546 0 1 CFAF CCOP(=O)(NP(=O)(OCC)OCC)OCC 101314526 UBZAYQFNNNKKKW-UHFFFAOYSA-N 289.205 2.938 0 1 CFAF COc1ccc(N(C)c2ccc(NC3=NCCN3)cc2)cc1 26003312 RQTFZZMYMVELQT-UHFFFAOYSA-N 296.374 2.834 0 1 CFAF Fc1ccccc1Cn1cnc2c(NCC3CC3)ncnc21 25967609 CVBDJAAGWHDLBV-UHFFFAOYSA-N 297.337 2.836 0 1 CFAF CN(C)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)O 26947040 LYQOGCWCHQTUIS-HIEASXQVSA-N 293.366 2.908 0 1 CFAF CC=C(C)C(=O)Oc1cc(C)ccc1[C@](C)(CO)OC 2356632739 QKESIZAEBRXOLV-INIZCTEOSA-N 278.348 2.721 0 1 CFAF COc1cc(C=CCOC(=O)C=C(C)C)cc(OC)c1O 2356691614 QITIZCWKSNPVEL-UHFFFAOYSA-N 292.331 2.932 0 1 CFAF CC(=O)O[C@@H]1CC(=O)CCC[C@@](C)(O)C=C[C@H]1C(C)C 2356723764 SXYIXDBXEKNFKO-ARFHVFGLSA-N 282.380 2.641 0 1 CFAF COC[C@]1(O)[C@@]2(CCC[C@@H]2O)[C@H]2[C@H]3CCC[C@@]2(C)[C@@]1(C)C3 2356735828 SWDAGTBJDSMABM-PDQWNOJRSA-N 294.435 2.741 0 1 CFAF COC(=O)c1nn(C(=O)c2ccccc2)c2ccccc12 72177654 XZZBNNQOCGAOGE-UHFFFAOYSA-N 280.283 2.511 0 1 CFAF Cc1[nH]c2ccc(CNc3cc(C(N)=O)ccn3)cc2c1C 71749031 CIJQCSGKIDBGPA-UHFFFAOYSA-N 294.358 2.891 0 1 CFAF COc1c2ccoc2c(/C=C/C(=O)O)c2oc(=O)ccc12 95597474 FQEKRPMTAQFWHU-DUXPYHPUSA-N 286.239 2.646 0 1 CFAF Cc1nnc(Sc2c(C)oc3ccccc3c2=O)o1 96910551 WLLMHGNIIWICLH-UHFFFAOYSA-N 274.301 2.944 0 1 CFAF CCCC(=O)Oc1ccc(/C=C/COC(C)=O)cc1OC 473099798 HOQXDJJQJVPBRZ-FNORWQNLSA-N 292.331 2.977 0 1 CFAF COc1ccc2nc(C[C@H](C)CCC(=O)O)[nH]c2c1 587962217 BGCHAHFZUQRPRV-SECBINFHSA-N 262.309 2.615 0 1 CFAF CC(C)C[C@H]1CCc2nc3nc(O)nc(O)c3cc21 587562226 SIEYOPGRLBOPCK-MRVPVSSYSA-N 259.309 2.512 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C)nc1C1CC1)O2 587392622 UGWURPTZVGRHCI-OAHLLOKOSA-N 297.358 2.895 0 1 CFAF COc1cc2c3c(c1)O[C@]1(CCc4ncccc41)[C@@H](C2)C3=O 587437369 ZCVDJHPUHNKLPB-UGSOOPFHSA-N 293.322 2.679 0 1 CFAF COc1c(F)ccc(F)c1-c1nc2cccnc2[nH]1 587132960 MRWPYGBIQPSKBI-UHFFFAOYSA-N 261.231 2.912 0 1 CFAF Cc1nc(N(C)C)ncc1-c1nc2cc(F)c(F)cc2[nH]1 587194530 IAKJFDGWZOMPCK-UHFFFAOYSA-N 289.289 2.673 0 1 CFAF COc1cc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587393725 KRCJJRSBEHRODW-HNNXBMFYSA-N 298.342 2.996 0 1 CFAF CC1(C)COc2c(-c3nc4cncnc4[nH]3)cccc21 586911372 HUCGFAKLZCZBIY-UHFFFAOYSA-N 266.304 2.690 0 1 CFAF COc1ccc2c(c1)CCCN2c1nc(C)nc2n[nH]cc12 1772593418 JNZVXECHSUEPIX-UHFFFAOYSA-N 295.346 2.754 0 1 CFAF Cc1nccn1C[C@@H]1CC[C@H]2[C@H](C1=O)c1ccccc1N2C 13818229 JIMWRSFMRULTNX-RRQGHBQHSA-N 295.386 2.773 0 1 CFAF CCN(CCN(C)C)CC1=CC[C@H]2C[C@@H]1C2(C)C 19633931 WKPFTOAVJMKKSS-GJZGRUSLSA-N 250.430 2.862 0 1 CFAF CC1(C)CC(=O)c2c(noc2Cc2ccc(C(N)=O)cc2)C1 1857639053 JENZTMFFLGCIMQ-UHFFFAOYSA-N 298.342 2.519 0 1 CFAF CCCC[C@@H](C)NC(=O)OCCCc1c[nH]cn1 13793892 BOAJEIFQZOFOCK-LLVKDONJSA-N 253.346 2.647 0 1 CFAF CO[C@@H]1C(=O)N(SC)[C@H]1c1ccccc1Cl 1663370 DOFBRCXRLYRBHR-UWVGGRQHSA-N 257.742 2.516 0 1 CFAF Cc1cccc(-c2nnc(-c3ccccc3N)o2)c1O 103210480 PLHGGPVOVHMPPU-UHFFFAOYSA-N 267.288 3.000 0 1 CFAF CCCc1cc(=O)n2[nH]c(-c3ccc(C)cc3)cc2n1 103949004 MERRDVXKSSIBGD-UHFFFAOYSA-N 267.332 2.951 0 3 CFAF CNC(=S)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccc[nH]1 28653510 DCTYFNRBLVWNQJ-OAHLLOKOSA-N 298.415 2.979 0 1 CFAF C/C=C/Oc1cccc(Cl)c1[C@H]1OC(=O)NC1=O 27867596 ICJOIHDNWWXGAB-GCEAOBNSSA-N 267.668 2.560 0 1 CFAF OCCNc1nc(-c2cccs2)c2sccc2n1 29048301 YBNJFMGHISFAAZ-UHFFFAOYSA-N 277.374 2.824 0 1 CFAF CC1=C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@H](O)CC(C)=CCC1 2356457537 TXSIFZZILWRCIY-YIYPIFLZSA-N 250.338 2.602 0 1 CFAF N[C@@H]1CCN(c2nc(-c3ccccc3)nc3ccccc23)C1 84687308 TWXRBCUGZBFGKR-CQSZACIVSA-N 290.370 2.834 0 1 CFAF COC[C@H](C)Nc1cc(-c2ccc(F)cc2)ncn1 82161384 DGFZLBLUWOULFU-JTQLQIEISA-N 261.300 2.730 0 1 CFAF Cc1nc(Nc2cnc3ccccc3c2)c2nc[nH]c2n1 95557266 KTIYNVSAJVEUBN-UHFFFAOYSA-N 276.303 2.953 0 1 CFAF CCN1CCN[C@@H]2CCn3c(c(C)c4ccccc43)[C@H]21 253685405 FBOFXUQUZVCOBJ-PBHICJAKSA-N 269.392 2.688 0 1 CFAF Cc1cc(C)cc(-n2ncc(N(C)C)c(Cl)c2=O)c1 261136242 MCFOOTGYWAZLFW-UHFFFAOYSA-N 277.755 2.569 0 1 CFAF c1ccc(CN[C@@H]2[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)cc1 261192998 ZWCQZHOWEDKJBN-MPYDPPFSSA-N 251.373 2.923 0 1 CFAF O=C(/C=C/c1ccc(O)cc1)OCCc1cccc(O)c1 473155067 OXEXRXXOYLBVDO-RMKNXTFCSA-N 284.311 2.897 0 1 CFAF CCc1ccc2nc(C[C@@H](C)CC(=O)OC)[nH]c2c1 587784227 GDZPEUGSLDJVKZ-SNVBAGLBSA-N 260.337 2.867 0 1 CFAF N=c1[nH]cc2nc(-c3c(Cl)[nH]c4ccccc34)nc-2[nH]1 587086637 BQBVMDDBAMGLJC-UHFFFAOYSA-N 284.710 2.519 0 1 CFAF Oc1ccc2c(c1)[C@@]13CCCO[C@H]1[C@@H](C2)N(CC1CC1)CC3 145947568 ADYLOCPOIUQADS-QYZOEREBSA-N 299.414 2.849 0 1 CFAF OCc1cccc(-c2nc3cc(Cl)cnc3[nH]2)c1 586895013 KUIHOTXORLLLEQ-UHFFFAOYSA-N 259.696 2.771 0 1 CFAF O=C(O)/C=C/C=C\c1nc2ncc(Cl)c(Cl)c2[nH]1 587968714 OLLMTBBWSVFMLN-HSFFGMMNSA-N 284.102 2.919 0 1 CFAF COCCCNC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587875525 PWCQODRBEZAPKE-UHFFFAOYSA-N 291.282 2.389 0 1 CFAF CCN1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@@H]1C 587397295 ZKCODWDSRSXBJV-YVEFUNNKSA-N 288.391 2.785 0 1 CFAF Cc1ccnc2[nH]c(CSc3nnc(S)s3)nc12 587025927 SSYOZKRLBKGTBO-UHFFFAOYSA-N 295.418 2.699 0 1 CFAF Fc1cccc2c(-c3nc4ncccc4[nH]3)n[nH]c12 587177435 JHHOHDHVHPJNJS-UHFFFAOYSA-N 253.240 2.640 0 1 CFAF CC[C@@]1(C)C[C@@H]1c1nc2cc(C(=O)OC)ncc2[nH]1 586892670 VKYIYOMFFYUDRN-CLAHSXSESA-N 259.309 2.648 0 1 CFAF Cc1c(F)ccc2c1[C@@H](c1ncc([C@@H](C)O)s1)NCC2 962089060 FSCQHSOKRZIDJE-OTYXRUKQSA-N 292.379 2.879 0 1 CFAF O=C(Cn1cc2c(n1)CCCCC2)NCc1cccs1 5148791 WBLDLXHWLBZWIV-UHFFFAOYSA-N 289.404 2.530 0 3 CFAF CCCOC(=O)c1c[nH]c2ccc(CC)cc2c1=O 13685727 RSBPUSKIUBSGGR-UHFFFAOYSA-N 259.305 2.657 0 1 CFAF in-vivo C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc4c(c3)CCC4)C(=O)[C@@H]21 18154525 BJEGRBFBZDGDMR-XFBWCDHKSA-N 281.355 2.877 0 1 CFAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccccc1 100854077 XTYJQBUILMRWGE-MYSBQYBWSA-N 283.371 2.726 0 1 CFAF Cc1cccc(CNc2nc3nc(C(C)C)cc(O)n3n2)c1 21785400 ZGAWGNCEIPPOFM-UHFFFAOYSA-N 297.362 2.874 0 1 CFAF Cc1[nH]cnc1Cn1ccc2ccc(Cl)cc2c1=O 26980979 NBQHDUOMTSLSPX-UHFFFAOYSA-N 273.723 2.735 0 1 CFAF CC(C)NC(=O)C(C)(C(F)(F)F)C(F)(F)F 3124579 QAKMZUVBYMYUBW-UHFFFAOYSA-N 251.170 2.642 0 1 CFAF biogenic Cc1ncsc1[C@@H](CO[N+](=O)[O-])c1ccc(F)cc1 95557349 KCUMLSCAAFNPCE-NSHDSACASA-N 282.296 2.931 0 1 CFAF COc1cc(C)c(N)c(-c2nc3nc(Cl)c[nH]c-3n2)c1 587250070 SCJSLRRFPBMSBP-UHFFFAOYSA-N 289.726 2.524 0 1 CFAF Cc1c(F)ccc2nc(CSc3cccc[n+]3[O-])[nH]c12 586970083 UZHKXWJEMWJYDK-UHFFFAOYSA-N 289.335 2.936 0 1 CFAF O[C@H]1CC[C@@H](c2nc3cncc(Br)c3[nH]2)CC1 586899543 PTQKCNYNULGMAT-OCAPTIKFSA-N 296.168 2.739 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cccnc31)O2 587394213 DOFDTBZCAUPXKB-QGZVFWFLSA-N 280.327 2.779 0 1 CFAF Cc1cccc2nc([C@@H](O)c3cccc(O)c3)[nH]c12 586894074 YZBZWQSMWFOJPJ-AWEZNQCLSA-N 254.289 2.659 0 1 CFAF Oc1nc(O)c2ccc(-c3cc4c(s3)CCC4)nc2n1 587564674 VDUGREFMLSWCPU-UHFFFAOYSA-N 285.328 2.653 0 1 CFAF COc1ccc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2n1 586880164 OIIXDAZYMOEBGL-SOFGYWHQSA-N 295.298 2.835 0 1 CFAF O=C(CCc1nc2ccnc(O)c2[nH]1)c1ccc(F)cc1 587162198 ICOCTLQZFCXALP-UHFFFAOYSA-N 285.278 2.618 0 1 CFAF Cc1cc2nc(-c3nc(Cl)cnc3N)[nH]c2cc1F 587088107 RTQXYOFUDSXORE-UHFFFAOYSA-N 277.690 2.703 0 1 CFAF COc1cc2nc(-c3cccc(CN)c3)[nH]c2cc1F 587246798 WVDZXFYTULOXLW-UHFFFAOYSA-N 271.295 2.836 0 1 CFAF Cc1ccnc2c1CCN[C@]2(C)c1c[nH]c2cccnc12 963072692 UJLPEJQKANLWMW-QGZVFWFLSA-N 278.359 2.676 0 1 CFAF N#CN1CC[C@H](Nc2ncc(-c3ccccc3)s2)C1 1857597633 NGGCAOXWXCYHOJ-LBPRGKRZSA-N 270.361 2.777 0 1 CFAF O=c1ccccn1C[C@H]1CCCN(Cc2ccccc2)C1 13686299 BVHSHDLWBLTBGD-KRWDZBQOSA-N 282.387 2.761 0 1 CFAF CCc1nc2[nH]c(=O)sc2cc1-c1ccncc1 13733706 LOZIODPEEKLNBJ-UHFFFAOYSA-N 257.318 2.609 0 1 CFAF CC1=NC(=O)N[C@@H](c2ccsc2)[C@H]1C(=O)OCC(C)C 169688526 LOLZPZTZBQSRJW-RYUDHWBXSA-N 294.376 2.789 0 1 CFAF CC(C)OC(=O)[C@@]1(c2ccc(Cl)cc2)C[C@H]1CN 1846959 HPWBSFGMHDSQJZ-SMDDNHRTSA-N 267.756 2.508 0 1 CFAF Sc1nn2c(COc3ccc(Cl)cc3)nnc2s1 6536026 HWOAQZBIJPMRLH-UHFFFAOYSA-N 298.780 2.707 0 1 CFAF Cc1cccc(C(=O)c2ccc3n2CC[C@@H]3C(=O)O)c1 25995378 LFWWQGPJDNWIGF-LBPRGKRZSA-N 269.300 2.599 0 1 CFAF CC(C)=CN1Cc2c(C)ccc3[nH]c(=O)n(c23)C[C@@H]1C 100751980 QFUOAWQRTMGCIM-LBPRGKRZSA-N 271.364 2.766 0 1 CFAF CN(C)C(=O)c1ccc(Cc2cn(C)c3ccccc23)nc1 61930583 HLUAJSIIEAMVFW-UHFFFAOYSA-N 293.370 2.866 0 3 CFAF Nc1c(CC(=O)O)cccc1C(=O)c1ccccc1Cl 28770956 ZRZFVVXKCBZDBS-UHFFFAOYSA-N 289.718 2.780 0 1 CFAF CC(=CCC(=O)O)C1=C(C)CC[C@@H]2[C@H](C)C(=O)O[C@@H]12 2356486264 LNBKWSRIIRUARI-MISXGVKJSA-N 264.321 2.695 0 1 CFAF Cc1ccccc1CNc1nc2nc(C(C)C)cc(O)n2n1 21785391 ATGDPEAKAZGQEZ-UHFFFAOYSA-N 297.362 2.874 0 1 CFAF CC[C@H](O)CCCCCCCC(=CCC(=O)O)C(=O)O 2356753001 MESIJDRGJINUCT-ZDUSSCGKSA-N 286.368 2.974 0 1 CFAF COc1ccc(N2Cc3ccc(O)cc3OC2=O)cc1 43130039 IBMJKJJMRYHRNQ-UHFFFAOYSA-N 271.272 2.920 0 1 CFAF in-vitro CNCCCN1c2ccccc2S(=O)c2ccccc21 197054332 CRUIFUVNTJOTFY-UHFFFAOYSA-N 286.400 2.914 0 1 CFAF CCC(CC)Nc1nc(N2CCSCC2)ncc1C 82201737 JRKGZPNEVRWACQ-UHFFFAOYSA-N 280.441 2.939 0 1 CFAF Cc1cccc(-c2noc(C3CN(C(=O)C4CCC4)C3)n2)c1 95578349 RMMSBUXVKLWQSQ-UHFFFAOYSA-N 297.358 2.771 0 1 CFAF CCN1CCO[C@H]2Cc3c(SC)ccc(OC)c3C[C@H]21 253637085 CINPNDZUZZNLRF-HIFRSBDPSA-N 293.432 2.605 0 1 CFAF CC(=O)OCC(=O)c1coc2ccc(Cl)cc12 587276178 MMZIOMRCPHVNPY-UHFFFAOYSA-N 252.653 2.832 0 1 CFAF Oc1ncnc2[nH]c(-c3cccc(C(F)(F)F)c3)nc12 587113650 RLCCPKMBUINKPA-UHFFFAOYSA-N 280.209 2.744 0 1 CFAF COc1ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2n1 587174939 SYLFFPKWXLFBTE-LBPRGKRZSA-N 285.278 2.782 0 1 CFAF Cc1ccc(C)c(Cc2nc3c(N)ccnc3[nH]2)c1 587959236 NXCUHMBLVUPNNA-UHFFFAOYSA-N 252.321 2.748 0 1 CFAF CCn1nccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587391899 PEABMLFFKZQZGD-CQSZACIVSA-N 271.320 2.500 0 1 CFAF COc1cc2c(cc1OC)[C@](C)([C@H](C)N=O)N(C)[C@H](C)C2 962626820 GGHMRZBTGFEWDO-GDLVEWKHSA-N 292.379 2.950 0 1 CFAF O=C(NC[C@H]1CC(=O)c2ccccc21)Nc1cccc(O)c1 1772584385 JWWAOKKVPUULFQ-LLVKDONJSA-N 296.326 2.884 0 1 CFAF CCN1CCN(c2csc3ccc(C)cc3c2=O)CC1 5202416 LQCWZSLDHHMYIN-UHFFFAOYSA-N 288.416 2.712 0 1 CFAF Cc1nc(N2CCCCC2)c2[nH]c(-c3cnccn3)cc2n1 13834988 AFBPXILBVZLAET-UHFFFAOYSA-N 294.362 2.714 0 1 CFAF COc1ccc(CSC(=S)n2ccnc2)cc1 150116068 QGZVBARFNSLICY-UHFFFAOYSA-N 264.375 2.958 0 1 CFAF N=C(O)c1cc[n+](CCCCN2C=CC(=CN=O)C=C2)cc1 161999191 KMFIVIQDYRPBBJ-UHFFFAOYSA-O 299.354 2.631 0 1 CFAF C[C@H]1CCC/C=C/[C@@H]2CC(=O)C[C@H]2C(=O)CCC(=O)O1 169367820 SXLRTDFNLPCKBK-CNYQYGQTSA-N 278.348 2.603 0 1 CFAF Oc1ccc(-c2csc(-c3ncccn3)n2)cc1 1857756462 LSTXYJKINYUARS-UHFFFAOYSA-N 255.302 2.973 0 1 CFAF Oc1cccc2c1CC[C@H]1NCc3ccccc3[C@H]21 13740246 ZVYYLBROTSFWHI-NVXWUHKLSA-N 251.329 2.942 0 1 CFAF CN1[C@H]2CCC[C@@H]1C[C@H]2OC(=O)Nc1ccccc1 58668618 CWGOEBCFAFOITL-HZSPNIEDSA-N 260.337 2.860 0 1 CFAF Cc1ccc(S(=O)(=O)N2CC3=C(C2)[C@H]2C[C@]2(C)C3)cc1 103047352 NYRJAMPXVAQGLH-CVEARBPZSA-N 289.400 2.726 0 3 CFAF CC(C)[C@@H]1CC[C@@]2(C)[C@@H]1C=C(C(=O)O)CC[C@H]2O 2356705202 AFZYVLSAQGQODC-JLNYLFASSA-N 252.354 2.841 0 1 CFAF O=C(c1ccccc1)c1cccc2c1CO[C@H]2C(=O)O 27989852 ILFBYGANMFVAME-OAHLLOKOSA-N 268.268 2.574 0 1 CFAF Fc1ccc(-c2cncnc2)c([C@H]2Cc3nccn3C2)c1 40834510 VQAGIJGIBIOPGW-NSHDSACASA-N 280.306 2.819 0 1 CFAF CC(C)NC(=S)N1C[C@H](C)C(c2ccccc2)=N1 40878021 FKLSGFHZLLKNAV-NSHDSACASA-N 261.394 2.625 0 1 CFAF O=C(Cc1nc2ccccc2[nH]1)Nc1ccccc1 82272578 ZKCYVRQZAIMHCG-UHFFFAOYSA-N 251.289 2.744 0 1 CFAF C(=C/c1ccco1)\c1nc2ccc(C3=NCCN3)cc2[nH]1 40973847 PSUKHWIQFHFYCE-GQCTYLIASA-N 278.315 2.676 0 1 CFAF Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(N2CCCC2)n1 230564037 VXHFPCAIBMZKQX-UHFFFAOYSA-N 284.367 2.729 0 1 CFAF COC(=O)[C@]1(CC(C)C)CC(=O)c2cc(C)cc(N)c2O1 587399292 JXKLJDJLYORUQU-INIZCTEOSA-N 291.347 2.500 0 1 CFAF COc1ccc2nc(C[C@H]3CCC(=O)[C@@H]3C)[nH]c2c1 587963724 REXYMGWDVBYDBG-NXEZZACHSA-N 258.321 2.729 0 1 CFAF COc1ccc2[nH]c(-c3ccc4oc(=O)ccc4c3)nc2n1 586919101 ZXDXDFUMRYJYRB-UHFFFAOYSA-N 293.282 2.740 0 1 CFAF Cc1ccc2c(ccc3nc(-c4nn(C)c(O)c4F)[nH]c32)n1 587155763 RIWLYMCCXWPFBK-UHFFFAOYSA-N 297.293 2.665 0 1 CFAF CCCC(=O)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587404050 UFMCOMDWFAIEEU-HNNXBMFYSA-N 261.321 2.670 0 1 CFAF COc1cc2c3c(c1)O[C@@H](CCCC(C)=O)[C@@H](C2)C3=O 587444744 GQDZEWVKCPWVEV-OLZOCXBDSA-N 274.316 2.571 0 1 CFAF COc1ccc2nc(-c3c(N)cccc3O)[nH]c2c1 587250718 QMGZCWHZXPLHGW-UHFFFAOYSA-N 255.277 2.526 0 1 CFAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCOC1)CC2=O 587486608 LZACPLMERAKWRV-BMIGLBTASA-N 276.332 2.715 0 1 CFAF COc1cc2nc(-c3ccc(CO)cc3)[nH]c2cc1OC 586895609 PLGJOIOVGKNMON-UHFFFAOYSA-N 284.315 2.739 0 1 CFAF CNC(=O)Nc1cc(Oc2c(F)cccc2F)ccn1 1857568098 QUSPGQBMMOFJNY-UHFFFAOYSA-N 279.246 2.903 0 1 CFAF CN(C)CCNc1nccc2c1ncn2C1CCCC1 1772646687 GVWOQPIGCACPDL-UHFFFAOYSA-N 273.384 2.520 0 1 CFAF Cc1cc(C)cc(Cc2cc[nH]c(=O)c2N(C)C)c1 5892061 KNNXWVZMDDYOHE-UHFFFAOYSA-N 256.349 2.649 0 1 CFAF C[C@@H]1C[C@@](O)(CC(=O)O)c2ccc(Cl)c(Cl)c2O1 13456196 UWYXUWTWABPVGW-SREIQFSDSA-N 291.130 2.827 0 1 CFAF CC(C)c1n[nH]c2c(NCc3ccc(O)cc3)ncnc12 13538209 PYXNSUQXYSYSBO-UHFFFAOYSA-N 283.335 2.794 0 1 CFAF COc1ccc(C)c2c1CC[C@@H](CN1CCCC1)C2=O 169319268 OEFAIOYMNCSRSW-ZDUSSCGKSA-N 273.376 2.845 0 1 CFAF CCN(CC)CCOCCOC(=O)[C@@H](C)c1ccccc1 13737823 RFIBKIAEGAGNPH-HNNXBMFYSA-N 293.407 2.692 0 1 CFAF Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)cc1 4008972 KUGPCSPNUIISTD-GNNTXSLPSA-N 267.328 2.697 0 1 CFAF Cn1nccc1-c1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2 101315030 PIZJYUVNIDSKEX-UVTDQMKNSA-N 290.326 2.908 0 1 CFAF Cc1nc2ncnn2c2c1CCN2Cc1ccccc1Cl 28009431 SZMADTVWCIYWGP-UHFFFAOYSA-N 299.765 2.649 0 1 CFAF CNC[C@@H]1CCCC[C@]1(OC)c1cccc(OC)c1 29128832 ZQJYAEVPJBDRFS-HOCLYGCPSA-N 263.381 2.947 0 1 CFAF Cc1cc(C)cc(OCCCCCN2CCNCC2)c1 22590115 DKMLSYQBHFTDNU-UHFFFAOYSA-N 276.424 2.758 0 1 CFAF CC(=O)OC[C@](C)(O)[C@H]1C=C[C@@](C)(O)CCC=C(C)CC1 2356549123 RTFVWCRRSNVOBR-IKGGRYGDSA-N 296.407 2.744 0 1 CFAF C[C@H](CO)[C@@H]1OC(C)(C)OC[C@]1(C)OCc1ccccc1 2356654050 VPUMLCSEKGWYIX-KMFMINBZSA-N 294.391 2.742 0 1 CFAF CCCOc1ccc(C(C)=O)cc1CN1CCOCC1 34783249 FISOCDHYKKYHJH-UHFFFAOYSA-N 277.364 2.510 0 3 CFAF COC(=O)c1cc2c([nH]c3ccccc32)c(CCC(=O)O)n1 238784625 FTVPJLFCBQPUNI-UHFFFAOYSA-N 298.298 2.520 0 1 CFAF CCOC(=O)[C@@H]1Nc2c(OC)cccc2[C@@H]2OCCC[C@H]12 253951939 PVCMGXZBXILJJN-DFBGVHRSSA-N 291.347 2.520 0 1 CFAF N=c1cc(-c2nc3cccnc3[nH]2)c2ccccc2[nH]1 587253223 DEGDTCLQJOQWSZ-UHFFFAOYSA-N 261.288 2.586 0 1 CFAF CN[C@H](c1cccnc1)c1nc2cc(C)c(C)cc2[nH]1 587225088 VNIGCVRSHIFDDB-OAHLLOKOSA-N 266.348 2.884 0 1 CFAF Oc1ccc(C2(c3nc4cnccc4[nH]3)CC2)cc1 586899078 SGHBCUIXPRBRPM-UHFFFAOYSA-N 251.289 2.743 0 1 CFAF Oc1c(F)cc(F)cc1-c1nc2cc(F)cnc2[nH]1 587134620 RGQXISNFVQSTDY-UHFFFAOYSA-N 265.194 2.748 0 1 CFAF Fc1ccc(OCc2nc3nc(Cl)c[nH]c-3n2)cc1 587168958 OQSUMZAOKLVQGZ-UHFFFAOYSA-N 278.674 2.676 0 1 CFAF Cc1ccnc2c1CCN[C@]21CCCC[C@@H]1c1cncnc1 963073570 VOSKDORYUWVKRA-AEFFLSMTSA-N 294.402 2.879 0 1 CFAF CCCC[C@@H](CCO)Nc1nc(N)nc2cccc(F)c12 223309198 BKNHFFVXMGMMJR-JTQLQIEISA-N 292.358 2.704 0 1 CFAF COc1c(C(C)=O)c(=O)oc2ccc(Br)cc12 1857744789 BAIFLKUQHVHXQQ-UHFFFAOYSA-N 297.104 2.767 0 1 CFAF CNc1nc(-c2ccc(OC)cc2)nc2ncccc12 13489142 HUIAZOHYRSSOKF-UHFFFAOYSA-N 266.304 2.742 0 1 CFAF C[C@@H]1C(=O)S[C@@](C)(Cc2cc(F)cc(F)c2)C1=O 169717832 KSLVQTGXSWEYIO-CPFSXVBKSA-N 270.300 2.745 0 1 CFAF C[C@]1(C(=O)NC2CCCCCCC2)CCC(=O)N1C1CC1 218803 CZCIPYCTXOYSOS-QGZVFWFLSA-N 292.423 2.759 0 1 CFAF CCCN(CCC)C1=Nc2ccccc2-n2cnnc2C1 1635315 JILYKWDWHKTCDX-UHFFFAOYSA-N 283.379 2.975 0 1 CFAF NCCN1C(=O)c2ccccc2[C@H]1c1ccc(Cl)cc1 1861997 VHCPFFZVVQMAEG-OAHLLOKOSA-N 286.762 2.844 0 1 CFAF COc1ccccc1NC(=O)c1csc2cncnc12 113651405 FIUJLVQYVUCBLW-UHFFFAOYSA-N 285.328 2.952 0 1 CFAF O=c1oc(NCCc2ccccc2)nc2ccccc12 27526328 QUBFBXCSTDPVQQ-UHFFFAOYSA-N 266.300 2.843 0 1 CFAF CC(=O)Oc1cccc([C@@]23CC[C@@H](C2)N(C)CC3)c1 60163819 YEMSLDJMKASAOH-GOEBONIOSA-N 259.349 2.738 0 1 CFAF CC(=O)Nc1ccc2nc(-c3c(C)n[nH]c3N)sc2c1 114397805 NNIZGWWKOQEOAW-UHFFFAOYSA-N 287.348 2.535 0 1 CFAF CCNc1ccc2c(c1)N1CCN(CC3CC3)[C@@H](C2)C1 27844634 FBMBHCNOECGFGN-INIZCTEOSA-N 271.408 2.575 0 1 CFAF COc1cccc(Cc2cn(-c3ccc(O)cc3)nn2)c1 64573159 CNCMCRMHEQGFTK-UHFFFAOYSA-N 281.315 2.572 0 1 CFAF C[C@]1(C(=O)O)C[C@@H]2C=C(C(=O)O)[C@@H]3CC[C@@]3(C)[C@H]2C1 2356791476 IPGWJKFNMYXJRY-TVXZTZGSSA-N 264.321 2.544 0 1 CFAF CSc1nc(N)c(C)c(C(=O)Cc2ccccc2)n1 40429520 KLRXRGSNJYRDHH-UHFFFAOYSA-N 273.361 2.515 0 1 CFAF NC(=S)N1N=C2CCCC[C@@H]2[C@@H]1c1cccs1 139900583 OFPYMRKXNCKFBA-GZMMTYOYSA-N 265.407 2.895 0 1 CFAF Cc1ccnc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)c1 223438270 WVEMYUYQMPFNEX-AWEZNQCLSA-N 298.342 2.644 0 1 CFAF CCOC(=O)c1cc2c(N)c3c(nc2nc1C)CCCCC3 49036817 KTSROZJJBCCRGO-UHFFFAOYSA-N 299.374 2.966 0 1 CFAF CCCc1nc2c(C)cc(C(=O)O)cc2n1CCF 49071752 GMWZQBOSWCIGPF-UHFFFAOYSA-N 264.300 2.965 0 1 CFAF COc1cc2c3c(c1)O[C@]1(CCCC[C@H]1OC)[C@@H](C2)C3=O 587441356 GIJQMZVFQXNQGD-DXCKQFNASA-N 288.343 2.770 0 1 CFAF O=c1c2cc(Cl)ccc2cnn1-c1cccc(F)n1 587651945 HOJYLCKVDNIWPT-UHFFFAOYSA-N 275.670 2.573 0 1 CFAF CC[C@H]1C[C@@H](C)Cc2cc3c(O)nc(O)nc3nc21 587561251 GKMOIGXANIXENP-SFYZADRCSA-N 259.309 2.512 0 1 CFAF c1ccc(-c2nnnn2-c2nc3ccccc3s2)cc1 1857553459 AQMBBLUWBUTBKF-UHFFFAOYSA-N 279.328 2.939 0 1 CFAF O=C(O)CCc1c(C(=O)O)[nH]c2c(F)c(Cl)ccc12 206127795 HVOULLPPGWEZHR-UHFFFAOYSA-N 285.658 2.676 0 1 CFAF O=C1C(Cl)=CCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1 1772651132 UTOYUGQIPNRCGJ-NEPJUHHUSA-N 275.735 2.672 0 1 CFAF CC(C)C[C@H](N)COc1ccccc1-c1ccnn1C 1772590437 ITNCRSZKZMEOSW-ZDUSSCGKSA-N 273.380 2.839 0 1 CFAF C=COC(=O)N1[C@H]2CCC[C@](Cl)(C(C)=O)[C@@H]1CC2 5850190 BEOIGTMHOGUMPJ-GVXVVHGQSA-N 271.744 2.850 0 1 CFAF O[C@]12[C@H]3[C@H]4[C@@H]5C[C@@H]6[C@H]4[C@@H]3[C@@H]([C@H]6[C@H]51)N2Cc1cccc(Cl)c1 169295986 QSSZMHMBGVJKCS-LSTFAGSVSA-N 299.801 2.601 0 1 CFAF c1coc([C@@H]2N=c3ccccc3=C3Nc4ccccc4N32)c1 100535962 RZSPDNLYSLRSIB-GOSISDBHSA-N 287.322 2.609 0 3 CFAF O=C(CC1=NCCN1)N[C@@H](c1ccccc1)C1CCCCC1 26385955 ONJWFJRJPGXSCB-SFHVURJKSA-N 299.418 2.816 0 1 CFAF O=C1[C@H]2CCCN2[C@@H](c2ccccc2)N1c1ccccn1 61943422 FHOUKTCDMZUIKD-GDBMZVCRSA-N 279.343 2.591 0 3 CFAF CCCC(=O)N1Cc2ccccc2C[C@]2(CCN(C)C2)C1 71992507 UIJMDNWHCKQIKR-SFHVURJKSA-N 286.419 2.693 0 1 CFAF Cc1nn(-c2ccccc2)c2ncc(CCCO)cc12 40876262 QAVORYAMICRPPM-UHFFFAOYSA-N 267.332 2.654 0 1 CFAF CCCC(=O)CCOC(=O)/C=C/c1ccc(O)c(OC)c1 238748776 RUCDRXZZTMSPNI-SOFGYWHQSA-N 292.331 2.717 0 1 CFAF C/C=C/c1cc(=O)c2c(CC(C)=O)cc(O)cc2o1 95556466 BJRWVWBCAXJUDU-ONEGZZNKSA-N 258.273 2.663 0 1 CFAF CC(C)=CCOc1ccc(O)c2c1C[C@@H](C)OC2=O 238782539 FHCVCEAFQVPPIN-SNVBAGLBSA-N 262.305 2.839 0 1 CFAF Cc1cc2cc(OC(=O)c3cccnc3N)ccc2[nH]1 618010000 NGIVEKLQJBUAPU-UHFFFAOYSA-N 267.288 2.673 0 1 CFAF O=C(O)C1(Sc2ccnc3cccnc23)CCC1 653784932 YEDXZUVLQLOKOJ-UHFFFAOYSA-N 260.318 2.729 0 1 CFAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cnnc(O)c2[nH]1 587932761 ZIAQWSWARWBLFL-HWPZZCPQSA-N 296.330 2.512 0 1 CFAF COc1cncc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c12 586905223 ZRYSZLWDMJFKFS-DGCLKSJQSA-N 281.315 2.536 0 1 CFAF O=C(/C=C/c1nc2cnc(Cl)[nH]c-2n1)Nc1ccccc1 587243814 IPEQMQZLBHTSFO-VOTSOKGWSA-N 299.721 2.610 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1CCCOC1)O2 587407157 AKKLNHIRYFORSM-MEDUHNTESA-N 275.348 2.728 0 1 CFAF CC(C)(O)c1ccc(-c2nc(=O)c3cc(F)ccc3[nH]2)cc1 210801581 HBRPUCMYDQNVOS-UHFFFAOYSA-N 298.317 2.957 0 1 CFAF CC[C@@H](O)CNC(=O)/C=C/c1cccc(C(F)(F)F)c1 2009143 WUZSPEXDOAPEGT-NNNHXZLVSA-N 287.281 2.606 0 1 CFAF Cc1c[nH]c2ncnc(N[C@H]3CC[C@H](N(C)C)CC3)c12 1772614620 ALLCDGFTBTXVRE-HAQNSBGRSA-N 273.384 2.551 0 1 CFAF Nc1nc(-c2ccco2)c2c(n1)-c1ccccc1C2=O 13982068 KHOCZGQEVMEBSV-UHFFFAOYSA-N 263.256 2.530 0 1 CFAF COc1nc(NC2CCCCC2)nc(NC(C)(C)C)n1 15973875 ZTGROKYCUMDNJZ-UHFFFAOYSA-N 279.388 2.835 0 3 CFAF O=c1[nH]c(C2CCCCC2)c2c3cc[nH]c3ncn12 205551886 RPVUZAZDVQCLQI-UHFFFAOYSA-N 256.309 2.552 0 1 CFAF CCCN1Cc2cccc3[nH]c(=O)n(c23)[C@H](C(C)C)C1 6380280 DDHADWPWKRLLAW-AWEZNQCLSA-N 273.380 2.752 0 1 CFAF O=C(Cn1cc(-c2ccccc2)nn1)c1ccccc1 9339929 VCNVMISVNZEGJQ-UHFFFAOYSA-N 263.300 2.828 0 1 CFAF CC(C)Cc1nc2nc(N3CCC[C@@H]3C)ccc2[nH]c1=O 58978707 IQCWUWQYUZWMOM-NSHDSACASA-N 286.379 2.505 0 1 CFAF O=C1c2cccc(O)c2-c2c3c(cc4c2[C@H]1NC=C4)OCO3 2356442273 WBOZCDFVUNJSQR-OAHLLOKOSA-N 293.278 2.599 0 1 CFAF CCCSc1nsnc1O[C@@H]1C[C@@H]2CCN(C2)C1 27307671 FYXUELNSLZXGFU-VHSXEESVSA-N 285.438 2.513 0 1 CFAF Cc1ccc2[nH]c([S@](=O)Cc3ccccc3N)nc2c1 28230653 ZFVNYFXLUWZUSX-FQEVSTJZSA-N 285.372 2.761 0 1 CFAF C[C@]1(CO)CCC[C@]2(C)c3ccccc3[C@H](CO)[C@@H]12 2356698991 YRTXVWCUOFUWAY-QMCVQRASSA-N 260.377 2.833 0 1 CFAF CC1(C)CC[C@@](C)(c2ccc(C(=O)O)cc2O)CO1 2356709800 VOWXSGLYTYQXBZ-OAHLLOKOSA-N 264.321 2.937 0 1 CFAF Cn1cc[n+](C)c1/C=C/c1ccc(Br)s1 49803975 VZNUUSQCBXCVSH-GQCTYLIASA-N 284.202 2.844 0 1 CFAF COc1ccc(/C=C/[C@@]2(C)C=CC(=O)O2)cc1OC 96921233 OORORUVUNFFJEM-VFADXPBXSA-N 260.289 2.589 0 1 CFAF COc1cccc(/C=C/C(=O)NC[C@H](O)c2ccccc2)c1 98084276 RPPXPVGZUULIFA-DVQDXYAYSA-N 297.354 2.558 0 1 CFAF COc1ccc(C[C@H]2CN(Cc3ccccc3)C(=N)N2)cc1 653790892 CHUHNJUKSFMUEW-INIZCTEOSA-N 295.386 2.646 0 1 CFAF COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cn1 587394500 WPWFGERQDNEQOL-KRWDZBQOSA-N 298.342 2.861 0 1 CFAF [O-][n+]1ccccc1SCc1nc2ccc(F)cc2[nH]1 586969589 NIALEFGVUWVUOR-UHFFFAOYSA-N 275.308 2.628 0 1 CFAF N=c1cc2nc(-c3coc4cc(F)ccc34)[nH]c2c[nH]1 587174375 IVOHJXFEPMVRCF-UHFFFAOYSA-N 268.251 2.923 0 1 CFAF COC(=O)c1cc2nc(-c3ccc(F)c(F)c3)[nH]c2cn1 587145922 VRWWUGRTBWHSET-UHFFFAOYSA-N 289.241 2.690 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCN3CCC[C@H]31)O2 587395336 PXFOSYCCHFDXTN-DOTOQJQBSA-N 286.375 2.539 0 1 CFAF Cc1ncsc1CCc1nc2cc3cn[nH]c3cc2[nH]1 587028085 NROQIVQIQFOVOQ-UHFFFAOYSA-N 283.360 2.989 0 1 CFAF COc1nccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c12 586899025 QUCHWZITFRYSFJ-UHFFFAOYSA-N 281.315 2.752 0 1 CFAF CC1=C(C)[C@@]2(CC1)N[C@H](C(=O)O)Cc1cccc(F)c12 962904419 VSUHGTDLLNOQGS-XJKSGUPXSA-N 275.323 2.750 0 1 CFAF c1ccc(N(CC2=NCCN2)c2ccccc2)cc1 60256699 ZYPMEKYOJAROJK-UHFFFAOYSA-N 251.333 2.826 0 1 CFAF CCCNCCCCCNCCCCNCCC 13605748 GMZGEHQFPCAHEJ-UHFFFAOYSA-N 257.466 2.526 0 1 CFAF O=c1[nH]c2ccccc2n2cc(-c3cccs3)nc12 13738408 OOSVEZPRHUDBLK-UHFFFAOYSA-N 267.313 2.904 0 1 CFAF CN1[C@H]2CCC[C@@H]1[C@@H](OC(=O)C1CCCCC1)C2 13834349 OALBGXZFCMPEGE-MJBXVCDLSA-N 251.370 2.735 0 1 CFAF O=C(/C=C/CCc1ccc2c(c1)OCO2)N1CCCC1 14591333 XZTCTKKANUDQCW-QHHAFSJGSA-N 273.332 2.527 0 1 CFAF endogenous,in-man O=c1cc(O)c2c(O)cc(-c3ccc(O)cc3)cc2o1 14614200 UMEUPGNISCZDFG-UHFFFAOYSA-N 270.240 2.577 0 1 CFAF Oc1nc(CCCN2CCCCC2)nc2ccccc12 13581575 HDVNQQSSIKDDKS-UHFFFAOYSA-N 271.364 2.754 0 1 CFAF in-vivo Cc1cccc(Nc2ncnc3cnc(N)cc23)c1 21289210 VNRZOOJIGRYVTF-UHFFFAOYSA-N 251.293 2.659 0 1 CFAF COC(=O)C[C@H]1[C@@H](Cc2ccccc2)C[C@H]2CC[C@H]1N2C 101315155 ANHMPRQCQIOCSZ-VVLHAWIVSA-N 287.403 2.891 0 1 CFAF CCCCCC[C@H](O)c1cc(OC)c(COC)c(=O)o1 59205088 DRAHFTWRYFJJTR-LBPRGKRZSA-N 284.352 2.799 0 1 CFAF CC1=C(c2ccccc2)S(=O)(=O)N=C1Nc1ccccn1 9251850 LBUTVSWQPUNYSY-UHFFFAOYSA-N 299.355 2.667 0 1 CFAF CC1([C@H](OC(=O)c2cccc3ccccc23)C(N)=O)CC1 26483741 UCAGODNPUSGAFK-CQSZACIVSA-N 283.327 2.651 0 1 CFAF CCOC(=O)Cc1cc2c(c(OC)c1)OC(C)(C)C=C2 102065523 CFBAQDOQTXZQCT-UHFFFAOYSA-N 276.332 2.985 0 1 CFAF CC(=O)O[C@@H]1[C@H](C(C)C)CC[C@]2(C)[C@H](O)CC[C@](C)(O)[C@@H]12 2356598416 PGMDYJUEXIFZJG-URRYWWILSA-N 298.423 2.512 0 1 CFAF COc1ccccc1C=CC[C@@]1(O)CCC(=O)C[C@@H]1OC 2356615308 DIAHBGYCNSEZBL-DLBZAZTESA-N 290.359 2.598 0 1 CFAF CCOC(=O)c1cc2n(c1)CN(C)c1ccccc1-2 29232486 JBKIKKAURODQBF-UHFFFAOYSA-N 256.305 2.739 0 1 CFAF Cc1ccc2oc(=O)n(Cc3ccc(O)cc3)c2c1 64539513 VPQOGPFNVJKOEY-UHFFFAOYSA-N 255.273 2.657 0 1 CFAF O=C1C[C@@H](c2ccccc2)Oc2cc(CO)cc(O)c21 70455190 AZTAQMQWFPLFOG-AWEZNQCLSA-N 270.284 2.591 0 1 CFAF biogenic,in-vitro CN1CCO[C@@](O)(c2ccc(-c3ccccc3F)cc2)C1 40422190 AOWQDBSTURJZNA-QGZVFWFLSA-N 287.334 2.600 0 1 CFAF O=C(CCc1ccccc1O)C[C@H](O)Cc1ccccc1 49784663 ONOSEXZPOUPBRP-QGZVFWFLSA-N 284.355 2.888 0 1 CFAF CC1=CC2=NC(=S)NC(=O)[C@@H]2[C@H](c2ccccc2)C1 45286115 ODEPXFGQOIVDAS-WCQYABFASA-N 270.357 2.592 0 1 CFAF CC(C)[C@@H](O)[C@@H](O)C[C@H](C)CCC(=O)c1ccoc1 256069558 PRLJTIPWGNRUNG-BYCMXARLSA-N 268.353 2.647 0 1 CFAF endogenous,in-man COc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1 299858922 FEAWTGQMIYZZOD-GUYCJALGSA-N 299.370 2.649 0 1 CFAF Cc1cc(CC(=O)n2nc3cc2Oc2ccc(F)cc2-3)n[nH]1 587876288 QFBTZVLXKOIQBJ-UHFFFAOYSA-N 298.277 2.709 0 1 CFAF c1ccc2c(c1)CC[C@]21C[C@H]1c1nc2ncc[nH]c-2n1 586892903 XXUUNKKLCQIARR-LRDDRELGSA-N 262.316 2.676 0 1 CFAF O=C(/C=C\c1nc2cccnc2[nH]1)Nc1ccc(F)cc1 587166714 HETMSVFYFFKZNO-FPLPWBNLSA-N 282.278 2.749 0 1 CFAF CC[C@@]1(C)C[C@H]1c1nc2ccc(C(=O)OC)nc2[nH]1 586893872 ZAVDQXJIPKIPIA-RTHLEPHNSA-N 259.309 2.648 0 1 CFAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccccn1 587638217 DBJNLRHVKRTDQW-UHFFFAOYSA-N 280.283 2.801 0 1 CFAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc[nH]c(=N)c2[nH]1 587195479 KRTAUKIBTBFGBT-JTQLQIEISA-N 281.363 2.588 0 1 CFAF C[C@H](O)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587824412 BQTHKEDCUSSORR-LTMDPNIMSA-N 288.160 2.544 0 1 CFAF CCO[C@@H](C)c1nc(C)c(-c2nc3cnncc3[nH]2)s1 587013931 CYUSHHKQHBZWMT-QMMMGPOBSA-N 289.364 2.882 0 1 CFAF O=C(O)C[C@@H]1CCc2c1nc1cccc3c1c2CC3 587215301 KYTKNSFWYRYJPO-JTQLQIEISA-N 253.301 2.838 0 1 CFAF CCOc1ccc(-c2nc(C[C@@H](N)N=O)c(C)o2)cc1 957756857 VFNSZXHJZXXQDL-ZDUSSCGKSA-N 275.308 2.642 0 1 CFAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(CNC)N1 962952730 VPMLEWWBJLIOKR-ZBEGNZNMSA-N 257.381 2.527 0 1 CFAF CCO/C=C/[C@H](C)[C@@]1(C(=O)OCC)CCCCC1=O 5812308 CDIRTRKWIBIRGG-HAGUTBJNSA-N 268.353 2.865 0 1 CFAF CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@H]3N 13806920 DAKGDRVNCPHAPY-RDTXWAMCSA-N 262.356 2.800 0 1 CFAF CCC/C=C1\OC(=O)C2=C1CC[C@@H](C(=O)CCC)[C@H]2O 14695959 RWIPTYNGENPFSY-MKYGOAKWSA-N 278.348 2.664 0 1 CFAF COc1cc(-c2ccc3c(c2)OCO3)cc(C=O)c1O 169699568 LLNBSICRHFTRDT-UHFFFAOYSA-N 272.256 2.609 0 1 CFAF CCCN1C(=O)c2cccnc2Oc2ncccc21 13719 LXJULTKPRNREKW-UHFFFAOYSA-N 255.277 2.639 0 1 CFAF CCc1ccc(C(=O)CC(=O)C2CCOCC2)cc1 101099394 PFMSLDOXKXKSHV-UHFFFAOYSA-N 260.333 2.818 0 1 CFAF CC[C@@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c(C)nc3n2)C1 58978557 LAZNUJPQOBCGAF-ZYHUDNBSSA-N 286.379 2.641 0 1 CFAF O=C(NC/C=C/Cn1ccnc1)c1ccc(Cl)cc1 27620390 WICIZJLFIPVNNS-OWOJBTEDSA-N 275.739 2.523 0 1 CFAF CNc1ccc(N2CCC(Cc3c[nH]cn3)CC2)cc1 53294876 NBMDOIDXQULZMB-UHFFFAOYSA-N 270.380 2.911 0 1 CFAF COc1nn([C@H](C)c2ccc(CC(C)C)cc2)c(=O)o1 103287211 UOGPGTWNUJZRGE-LLVKDONJSA-N 276.336 2.653 0 1 CFAF CC1=CC[C@@]2(CO)CO[C@@H](c3ccc(O)c(F)c3)[C@@H]1C2 28136021 DIPQTUAUGROOHV-UHOFOFEASA-N 278.323 2.938 0 1 CFAF CN1CCC[C@H](COc2cc(-c3ccccc3)[nH]n2)C1 28010929 CNAXYDHQUIYMGF-ZDUSSCGKSA-N 271.364 2.797 0 1 CFAF O=C1Oc2cc(O)ccc2C1=Cc1ccc(O)cc1 2356508242 DJGNNZVFOBIPMK-UHFFFAOYSA-N 254.241 2.557 0 1 CFAF CC(=O)O[C@@H]1[C@@H]2[C@H](C(C)C)CC[C@H](C)[C@]2(O)CC[C@]1(C)O 2356596298 FNTLZZCGECJXCR-MCBDXXDLSA-N 298.423 2.512 0 1 CFAF COc1ccc2cccc(CCNC(=O)C(F)F)c2c1 82157000 UTLRQLQDJLNKNY-UHFFFAOYSA-N 279.286 2.772 0 1 CFAF in-vitro c1ccc(Cn2nncc2-c2ccc3[nH]ncc3c2)cc1 147884259 POVLUYABXIQDKB-UHFFFAOYSA-N 275.315 2.870 0 1 CFAF c1cc2c(cc1CN[C@H]1[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]1[C@@H]6C[C@H]53)OCO2 261177819 VGYQUDBPYFLBLJ-ITKDESHASA-N 295.382 2.651 0 1 CFAF Sc1ncn(Cc2ccc(Cl)cc2Cl)n1 653799293 AXZCQTZEDXREJP-UHFFFAOYSA-N 260.149 2.922 0 1 CFAF N=c1cc(-c2nc3cccc(O)c3[nH]2)c2ccccc2[nH]1 587253278 FQLOOOKOQUAVNI-UHFFFAOYSA-N 276.299 2.896 0 1 CFAF Cc1ncsc1CCc1nc2ccc(O)cc2[nH]1 587028350 SZMHIAHFUQTAHX-UHFFFAOYSA-N 259.334 2.819 0 1 CFAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cccnc2[nH]1 587164588 XBRGZUUGHGTLDJ-CYBMUJFWSA-N 270.311 2.748 0 1 CFAF Cc1[nH]c2cc(Cl)c(F)cc2c1N(C)CCO 587630608 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HJBHYEXHWUUVQS-SFHVURJKSA-N 277.374 2.636 0 1 CFAF Cc1noc([C@H]2CNCC[C@@H]2c2ccc(Cl)cc2)n1 13475001 MHDRABCQAWNSIK-OLZOCXBDSA-N 277.755 2.892 0 1 CFAF Cn1c2c(c3ccccc31)[C@@H](CNC(=O)C1CC1)CC2 13777855 NJPHIBYCXDQNBP-GFCCVEGCSA-N 268.360 2.734 0 1 CFAF CCOC(=O)[C@H]1C(C)=NC(=S)N[C@H]1c1ccc(C)cc1 169700218 HLVSTRRTAQUYKT-STQMWFEESA-N 290.388 2.564 0 1 CFAF C[C@@H]1[C@@H]2CCCC(=O)N3CCC[C@@]23CC[C@H]1N(C)C 205712763 SSPDNLNXJNMPPI-HLPPOEQASA-N 264.413 2.508 0 3 CFAF Cn1nnc2cc(-c3noc(-c4ccccc4)n3)ccc21 107877309 MCTWMFHUAOKWQJ-UHFFFAOYSA-N 277.287 2.685 0 1 CFAF CCOC(=O)[C@@]1(C)CCCN(C(=O)c2cc(C)oc2C)C1 61926205 ZRMMUNLWHNNTKC-INIZCTEOSA-N 293.363 2.702 0 3 CFAF Cc1sc2ncnc(SCC(=O)O)c2c1Cl 113833043 XEVLMTSZUBIPOS-UHFFFAOYSA-N 274.754 2.830 0 1 CFAF CC1=CCCC(CO)=CC[C@@H]2[C@H](C1)OC(=O)[C@H]2C 2356643120 ILIOGIMGVJEQEZ-UBHSHLNASA-N 250.338 2.603 0 1 CFAF Cc1c(O)cc(C=C2C=CC[C@@H](C)O2)c(C=O)c1O 2356711780 YUNYOSJRYNLHEN-SECBINFHSA-N 260.289 2.925 0 1 CFAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc2cccnc2c1 28134334 OCPHXKBVXMHLTL-CRJCFHLZSA-N 290.322 2.546 0 1 CFAF O=C1O[C@H](c2ccc(O)cc2)C(c2ccc(O)cc2)=C1O 45498199 CKNUMDUUOHUEKF-OAHLLOKOSA-N 284.267 2.665 0 1 CFAF COc1ccc([C@@H](O)[C@@H]2c3ccc(OC)cc3CN2C)cc1 238789556 YFIREVBFRVUNCE-ZWKOTPCHSA-N 299.370 2.924 0 1 CFAF COc1ccc2[nH]cc(C(=O)COc3ccncc3)c2c1 299856098 HQZXFUGUFAFHSU-UHFFFAOYSA-N 282.299 2.833 0 1 CFAF CNCc1cncc(OCc2ccc3ccc(N)nc3c2)c1 653751502 CCVIETYDINGXSM-UHFFFAOYSA-N 294.358 2.510 0 1 CFAF CC(C)(C)c1cccc2nc([C@H]3CSCC(=O)N3)[nH]c12 587042275 CHJYIAZFYVSBOP-LLVKDONJSA-N 289.404 2.765 0 1 CFAF CCn1nc(C)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432530 QFFZSEDZIMQSQC-SJKOYZFVSA-N 298.342 2.709 0 1 CFAF Fc1cccc([C@@H]2C[C@H]2c2nc3ncc[nH]c-3n2)c1F 587149781 BDZPICZYYKSGDO-DTWKUNHWSA-N 272.258 2.854 0 1 CFAF COc1cc2c3c(c1)O[C@@H](CC[C@H]1CCCO1)[C@@H](C2)C3=O 587455832 QLVXYQPHUVQGMF-BNOWGMLFSA-N 288.343 2.770 0 1 CFAF COc1ccc(Cc2nc3ccc(CO)cc3[nH]2)c(F)c1 587149363 RDWWJYQPAJKYSK-UHFFFAOYSA-N 286.306 2.794 0 1 CFAF CSc1ccc2nc([C@H](O)C3CCOCC3)[nH]c2c1 586916923 PMJXXTKUWZOADV-CYBMUJFWSA-N 278.377 2.745 0 1 CFAF NC[C@H]1Cc2ccc(F)cc2[C@H](c2ccccc2)O1 11680173 AFYFIUCXBSVQSE-ZBFHGGJFSA-N 257.308 2.815 0 1 CFAF CCN1c2ncccc2C(=O)Nc2c(C)cc(C)nc21 5842107 UDDMNBYVRLYNKY-UHFFFAOYSA-N 268.320 2.817 0 1 CFAF CC(C)[C@@H]1Cc2n[nH]c(=O)c3cccc4[nH]c(c2c43)C1 150203610 WELSPTLZWKCYMB-VIFPVBQESA-N 267.332 2.775 0 1 CFAF Cc1nn(CCCN(C)C)c2nc3ccccc3cc12 169325974 YDAOIFLKFANADI-UHFFFAOYSA-N 268.364 2.845 0 1 CFAF CC/C(=C\c1ccc(OCC(=O)O)cc1Cl)[N+](=O)[O-] 169340543 LHUYGPKVSFUIDU-WEVVVXLNSA-N 285.683 2.831 0 1 CFAF OC[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1cccs1 169342438 MUJMCJPASLGZMK-LLFMOCPASA-N 261.390 2.607 0 1 CFAF C[C@]12CC[C@@]3(CO)CO[C@@H](c4ccccc4O1)[C@@H]2C3 169364050 JPABUXDNLBKOTH-ARLBYUKCSA-N 260.333 2.688 0 1 CFAF CN(C)C[C@H](c1ccc(N)cc1)C1(O)CCCCC1 26742535 JCGKDKLOBKOKQH-OAHLLOKOSA-N 262.397 2.609 0 1 CFAF Cc1cc(C)cc(NC(=O)COC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)c1 6787564 OVHYQYHJQLHVFR-IJEWVQPXSA-N 299.370 2.997 0 1 CFAF CC1=C(c2ccc(F)cc2)S(=O)(=O)N=C1NC(C)(C)C 20977125 JOTZNWPNWOUYEA-UHFFFAOYSA-N 296.367 2.687 0 1 CFAF C[C@@H](O)c1onc(-c2ccccc2)c1C(=O)NC1CCC1 2356290275 NQRPKIHGOYUVJW-SNVBAGLBSA-N 286.331 2.677 0 1 CFAF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)CCc1ccccc1)C2 103230655 DKIGFMGFYCZXBZ-ZSHCYNCHSA-N 273.376 2.788 0 1 CFAF O=C(Cc1ccccc1)Nc1ccc([C@@H]2CCNC2)cc1 117729387 RZQDZWVRMZKIOE-MRXNPFEDSA-N 280.371 2.945 0 1 CFAF C[C@@](O)(CN1CC=NC1)c1ccc2c(c1)Cc1ccccc1-2 28013254 NARIZFADPCLJEO-LJQANCHMSA-N 292.382 2.809 0 1 CFAF O=C(Nc1ccc(O)cc1)C(=O)c1c[nH]c2ccccc12 27559795 VMPQBUGJRFCFFH-UHFFFAOYSA-N 280.283 2.695 0 1 CFAF Nc1nnc(CCC(=O)c2ccc(Cl)cc2)s1 66102775 WXAHVDHENCJMOQ-UHFFFAOYSA-N 267.741 2.589 0 1 CFAF Cc1cn(CCCNC(=O)c2cccc(Cl)c2)cn1 27562980 HBPIMYXKRMPNHJ-UHFFFAOYSA-N 277.755 2.665 0 1 CFAF CN(C)CC(=O)NN1c2ccccc2Sc2ccccc21 68196769 GEHFMOURDWWNQT-UHFFFAOYSA-N 299.399 2.882 0 1 CFAF O=C1CCc2cc(Cc3cccnc3)cc3c2N1CC3 95593290 MRAMDCYJSHLAPU-UHFFFAOYSA-N 264.328 2.508 0 1 CFAF CCc1ccc2oc(C(=O)N=c3nc[nH]s3)c(C)c2c1 621485878 RCAJFORTXITHPJ-UHFFFAOYSA-N 287.344 2.829 0 1 CFAF CC12C[C@H]3CC(NCC(N)=O)(C[C@@H](C1)c1ccccc13)C2 299832604 JXQHXYROXIOBNQ-NLKGSNSHSA-N 284.403 2.665 0 1 CFAF COc1cccc2nc(C[C@@H]3CCC(=O)[C@H]3C)[nH]c12 587963005 LDGCOUKXRKEASR-UWVGGRQHSA-N 258.321 2.729 0 1 CFAF COc1cccc2nc(-c3cc(C(F)(F)F)nn3C)[nH]c12 587119126 YMFGKSXIBVIMDZ-UHFFFAOYSA-N 296.252 2.991 0 1 CFAF CC(=O)N[C@@H](Cc1nc2cnccc2[nH]1)c1ccc(C)cc1 587216631 IEGCSDCAKAXCCD-HNNXBMFYSA-N 294.358 2.686 0 1 CFAF COc1cc2nc(-c3cc(N)c(N)cc3F)[nH]c2cc1F 587137137 PLIHGJVFPGKLRB-UHFFFAOYSA-N 290.273 2.681 0 1 CFAF COC(=O)c1ccc2nc(C(C)(C)Cl)[nH]c2c1 587008229 MFRSCFARHCPSAQ-UHFFFAOYSA-N 252.701 2.823 0 1 CFAF Cc1cncc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c12 586904476 UKLQEIOZYZCAMZ-JSGCOSHPSA-N 265.316 2.835 0 1 CFAF O=C(O)c1cc(F)cc2nc(-c3cnc(Cl)nc3)[nH]c12 587086096 RVMHYEJNICLADJ-UHFFFAOYSA-N 292.657 2.511 0 1 CFAF N=c1cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c[nH]1 587079755 GNJJYDGRWYPSQA-GFCCVEGCSA-N 286.722 2.700 0 1 CFAF CCCC/C=C\c1nc2cc(C(=O)OC)ncc2[nH]1 587965273 IYVPXPZYRWHTAT-SREVYHEPSA-N 259.309 2.948 0 1 CFAF CN(C)c1cc(N2CCc3ccccc3C2)ccn1 1772652636 DCLVFKOVJPMUOW-UHFFFAOYSA-N 253.349 2.710 0 1 CFAF O=c1cc(-c2ccco2)[nH]c2cc3c(cc12)OCO3 5581227 BBSBPOLEPQRKSF-UHFFFAOYSA-N 255.229 2.517 0 1 CFAF O=C(NC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@H](O)CC1 101140273 YHZXOUHNBSOYQD-PIYFJZFMSA-N 292.423 2.558 0 1 CFAF in-vivo CC(=O)c1ccc([C@@H](c2ccccc2)N2CCNCC2)cc1 22939729 MHGGTVKXBSNPEQ-LJQANCHMSA-N 294.398 2.884 0 1 CFAF COCCNc1ncnc2ccc(-c3cccnc3)cc12 4258329 IKFPELYWEBHNHN-UHFFFAOYSA-N 280.331 2.750 0 1 CFAF O=C(Nc1nnc(-c2cccnc2)o1)C1CCCCC1 4264987 BAHVQEQTFTVCAA-UHFFFAOYSA-N 272.308 2.650 0 1 CFAF C[C@@]12C[C@@H]3C([C@@H]1n1cnc4c(Cl)ncnc41)[C@@H]3C2 102094744 KIWDUNMWYRIGDM-JWDOWJTFSA-N 260.728 2.697 0 1 CFAF CCNCCCNCCCNCC1CCCCCC1 26577129 BARPIBGVXNIVSG-UHFFFAOYSA-N 269.477 2.526 0 1 CFAF [O-][n+]1onc2ccc(/C=C/c3ccccc3F)cc21 66251382 CSIUEQHLPFNHFP-FNORWQNLSA-N 256.236 2.771 0 1 CFAF CN(C)C[C@H]1C[C@H]2c3cccnc3Cc3ccccc3N2O1 27104300 VPZDYZMLWKUTOB-KDOFPFPSSA-N 295.386 2.799 0 1 CFAF C/C=C(\NC(=O)c1c(Cl)cccc1Cl)C(=O)O 26024657 SIVIAOGPALSPDB-WAPJZHGLSA-N 274.103 2.712 0 1 CFAF CC(C)(C)c1cc2c(cc1O)OC[C@@H](n1ccnc1)C2=O 27332417 HVOQEIJQLZWQQU-GFCCVEGCSA-N 286.331 2.703 0 1 CFAF CNC(=O)c1cncc(/C=C\c2ccccc2C)c1 73129075 IDHOIXYTISLBFT-FPLPWBNLSA-N 252.317 2.920 0 1 CFAF CN(C)CCOC(=O)c1csc(-c2ccccc2)n1 82074981 VLKYHUHNZZNQQJ-UHFFFAOYSA-N 276.361 2.529 0 1 CFAF CCC[C@@H](O)CC(=O)CCc1ccc(N(C)C)cc1 1911578967 CAXSPBGDMVHEHQ-OAHLLOKOSA-N 263.381 2.805 0 1 CFAF O=C1NCCCn2c1cc1cc(F)cc(-c3ccncc3)c12 143581833 WGMVDBWTEDWTQD-UHFFFAOYSA-N 295.317 2.976 0 1 CFAF CN(C[C@H](O)c1ccccc1)C(=O)/C=C\c1ccccc1 90188576 GKTAUUQOAMJBMH-QOHRORDFSA-N 281.355 2.892 0 1 CFAF C[C@@H]1O[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 586917449 QKPQNLRZULODEO-CLTAVNFZSA-N 288.532 2.834 0 1 CFAF COC(=O)Nc1ccc(-c2nc3ccc(O)cc3[nH]2)cn1 587245089 NUIJKOSNHSAEFV-UHFFFAOYSA-N 284.275 2.509 0 1 CFAF CC(=O)c1ccc2nc(C[C@@H]3CCC(=O)[C@@H]3C)[nH]c2c1 587961971 HMXCCZQUIHPYMP-KOLCDFICSA-N 270.332 2.923 0 1 CFAF C[C@@H](Sc1ncccn1)c1nc2cc(F)cnc2[nH]1 586960900 DCSVWGZOJUUOCB-SSDOTTSWSA-N 275.312 2.740 0 1 CFAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(F)cnc2[nH]1 587089197 ZOYWQDRPCOHPNC-QMMMGPOBSA-N 282.269 2.847 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(F)nc1)[C@@H](C2)C3=O 587429356 ULHPVYVUAZPOTF-SJCJKPOMSA-N 299.301 2.892 0 1 CFAF O=C(O)c1ccnc(-c2cn(Cc3ccccc3)cn2)c1 225933778 YMTUVGRFKLITAS-UHFFFAOYSA-N 279.299 2.692 0 1 CFAF Cc1ccc2[nH]c(=O)c3nc(-c4ccccc4)nn3c2c1 13677403 UHNRDJJAKHPQMI-UHFFFAOYSA-N 276.299 2.546 0 1 CFAF C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 169325053 DOFRSNSWULWZJS-UQYCDBTLSA-N 289.419 2.645 0 1 CFAF CN1CCN([C@H]2Cn3cccc3Sc3ccccc32)CC1 22778664 PUSGNVOFKAPWQM-HNNXBMFYSA-N 299.443 2.941 0 1 CFAF Cc1ncc2cc(-c3ccccc3F)c(N)nc2n1 27300637 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OMQYELRKBALQJF-TZMCWYRMSA-N 265.378 2.650 0 1 CFAF O[C@H]1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1 13860529 JUTRRVUBIZHCRH-SFHVURJKSA-N 297.398 2.723 0 1 CFAF COC(=O)C1=CC[C@H]([C@]2(C)CC[C@@H](C(C)(C)O)O2)CC1 15161582 MNYYSFOYZDIGLV-XEZPLFJOSA-N 282.380 2.595 0 1 CFAF CN1C(=O)CC[C@@H]2[C@@H]1CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 169310065 SQCYNKYOQAZHHL-FINPUMMZSA-N 291.435 2.821 0 1 CFAF CCC[C@H](/C=C/C(=O)OC(C)(C)C)NC(=O)C(F)(F)F 206037177 WFYOMTCQMRIQLB-FCZSHJHJSA-N 295.301 2.732 0 3 CFAF CCCN1[C@H]2CC[C@H]1CC(O)(c1ccccc1OC)C2 1857651664 AJDYZCHUPHTSPY-KBPBESRZSA-N 275.392 2.920 0 1 CFAF CC(=O)NCC[C@@H]1CCCc2ccc3c(c21)CCCO3 13781786 IHUJPHWOKWPNKM-AWEZNQCLSA-N 273.376 2.958 0 1 CFAF CCSc1nn2c(Cc3ccccc3)nnc2s1 6411589 RTRPLGDFQSRVPC-UHFFFAOYSA-N 276.390 2.889 0 1 CFAF CC1(C)Oc2ccc(F)cc2[C@@H](N2CCCCC2)[C@@H]1O 29348176 HQVPXBVVYUVRTG-CABCVRRESA-N 279.355 2.885 0 1 CFAF Cc1cccc(C)c1NC(=O)[C@](C)(O)C(F)(F)F 26382387 AGFDQPMAVDQFSS-NSHDSACASA-N 261.243 2.555 0 1 CFAF CC1=CC[C@@H]2[C@](C)(C(=O)O)CCC[C@@]2(C)[C@H]1C(=O)O 2356497118 AYUMAVFCZFWXOW-RBDSIQFVSA-N 266.337 2.935 0 1 CFAF CN1[C@H]2CC[C@H]1CC(OC(=O)C=Cc1ccccc1)C2 2356590634 WTIWQHQPUWFUPX-GJZGRUSLSA-N 271.360 2.868 0 1 CFAF C[C@H](C(=O)O)[C@H]1CC[C@@H](C)[C@@H]2CCC(CO)=C[C@@H]12 2356632330 JTUOWRWJSXCKMC-JPKGWIMLSA-N 252.354 2.698 0 1 CFAF Cc1c2c(c(C)n1CC1CC1)[C@@](C)(C(N)=O)CC2(C)C 39215404 NETVNSSISGOCFR-KRWDZBQOSA-N 274.408 2.939 0 1 CFAF C[C@@H](CNS(C)(=O)=O)c1ccc(C(C)(C)C)cc1 33962866 IMGWNMAKEWLAFL-NSHDSACASA-N 269.410 2.637 0 1 CFAF O[C@]1(Cn2cncn2)CCC[C@H]1Cc1ccc(Cl)cc1 34202720 QEEHVPIONMGPLD-ZFWWWQNUSA-N 291.782 2.705 0 1 CFAF COc1c2c(cc(C=O)c1-c1ccccc1)OCO2 40379137 SNVRSUNQEDGGCY-UHFFFAOYSA-N 256.257 2.903 0 1 CFAF CC1CCN(c2ccc3[nH]c(=O)c(C(C)C)nc3n2)CC1 82231749 GFJPIGWZVZCZFU-UHFFFAOYSA-N 286.379 2.678 0 1 CFAF C[C@H]1CC[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@H]13 40460532 HFSORQLYAOTILI-XQKNVLJRSA-N 285.387 2.697 0 1 CFAF Nc1nc2ccccc2n2c(-c3cccc(O)c3)cnc12 653741276 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O=C(NCCc1c[nH]c2ccc(O)cc12)c1ccccc1 2379548 LEVVVSCHUXPJJR-UHFFFAOYSA-N 280.327 2.846 0 1 CFAF Cc1ccsc1CC/N=c1/c(-c2ccccc2)c(O)c1=O 103535470 LJJKEFKKWBJIFX-SDXDJHTJSA-N 297.379 2.808 0 1 CFAF CC(=O)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccc(C)cc1 100984307 QJWPKQVLJGKTAQ-IRXDYDNUSA-N 272.392 2.627 0 1 CFAF COc1ccc2c(c1)O[C@@H]1C[C@@]1(c1ccccc1OC)C2=O 100068759 NITQIVCVKLRJDP-AEFFLSMTSA-N 296.322 2.989 0 1 CFAF in-vitro C[C@@]1(O)CCC[C@]2(C)Cc3c(O)ccc(O)c3C[C@@H]12 29042010 SIHKZQDGUPOURP-BZUAXINKSA-N 262.349 2.754 0 1 CFAF CNC(=O)N(C)[C@H]1c2ccccc2Oc2ccncc21 28017990 BPNJFIPRXWDNIO-AWEZNQCLSA-N 269.304 2.548 0 1 CFAF CC=C1[C@H]2CCN3C[C@@]4(c5ccccc5N(C(C)=O)[C@@H]4C2)[C@@H]13 2356519740 OFTFANZUEOWVIA-CJODITQLSA-N 294.398 2.714 0 1 CFAF CC1(C)C[C@@H]2C3=C(C(=O)O)CC[C@]3(C)[C@@H](O)[C@H]2C1 2356721710 MRCMXACVBWPPKX-OUCVZQCGSA-N 250.338 2.595 0 1 CFAF O=C(O)Cc1ccc2c(c1)Cc1ccccc1CO2 39207937 YLKRAIPVHHJEHJ-UHFFFAOYSA-N 254.285 2.797 0 1 CFAF C/C1=C\C[C@H](O)/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 31158787 RLHPCSSGTQNSJN-FOMNRLOISA-N 250.338 2.602 0 1 CFAF O=C1Cc2ccccc2N1CCN1CCc2ccccc2C1 45497032 UZPCTHGHFJIDPM-UHFFFAOYSA-N 292.382 2.634 0 1 CFAF COc1ccccc1/N=c1\c(-c2ccccc2)c(O)c1=O 618016604 IZEMURWKSSQYAW-OBGWFSINSA-N 279.295 2.536 0 1 CFAF COc1cc2nc(C[C@@H]3CCC(=O)[C@@H]3C)[nH]c2cc1OC 587960759 BJACWKOKBUWWER-ZJUUUORDSA-N 288.347 2.738 0 1 CFAF OCC12CCC(c3nc4cnccc4[nH]3)(CC1)CC2 586895788 ZCJFLYMCPVQKQR-UHFFFAOYSA-N 257.337 2.542 0 1 CFAF CC(C)(C)[C@H](N)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587257505 CORYAXVFYATLMW-SNVBAGLBSA-N 283.278 2.930 0 1 CFAF Oc1ccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2c1 587176724 PWGRKFKFCUSPPO-UHFFFAOYSA-N 268.251 2.951 0 1 CFAF CCOc1ccc(O)n1-c1n[nH]c(-c2ccccc2F)n1 587945062 HOKYNCHBDLAWHS-UHFFFAOYSA-N 288.282 2.506 0 1 CFAF Cc1ccccc1C(C)(C)c1nc2c(O)ncnc2[nH]1 587955022 ILTCZXOEQDPBEN-UHFFFAOYSA-N 268.320 2.693 0 1 CFAF Cc1ccc2nc(-c3cc(N)c(N)cc3F)[nH]c2c1 587136502 FZWHMQCOZHVJOM-UHFFFAOYSA-N 256.284 2.842 0 1 CFAF O=C(c1ccnc(Cl)n1)c1c(F)cc(F)cc1F 1772596340 XHPDBEVUTHRBQN-UHFFFAOYSA-N 272.613 2.778 0 1 CFAF C[C@@]12COc3c(Br)cccc3[C@@H]1CCN2 1857564178 GKALLXNUCAXRAR-JOYOIKCWSA-N 268.154 2.677 0 1 CFAF Cn1c2c(c3ccccc31)[C@@H](CNC(=O)C(F)(F)F)CC2 13777934 VCEFEFAHJDMVGY-SECBINFHSA-N 296.292 2.887 0 1 CFAF CC1(C)CC(n2ncc(O)cc2=O)CC(C)(C)C1 118641281 AOBAKHFTDPMYBS-UHFFFAOYSA-N 250.342 2.726 0 1 CFAF COC(=O)/C(O)=C1/C(=O)N(c2ccccc2)c2ccccc21 101528580 SDXYEGNVVCKOFJ-PFONDFGASA-N 295.294 2.807 0 1 CFAF CCCN(CCC)c1ccc2c(c1)C[C@](N)(C(=O)O)CC2 25990163 NIIJXIGTDIKAGO-KRWDZBQOSA-N 290.407 2.584 0 1 CFAF Oc1ccc2ncn(-c3ccccc3Br)c2n1 118272062 CXEUIIDIUVDLRZ-UHFFFAOYSA-N 290.120 2.889 0 1 CFAF CC(C)CNC(=O)CCC=Cc1ccc2c(c1)OCO2 2356709883 ZECKKAHILSTZLB-UHFFFAOYSA-N 275.348 2.981 0 1 CFAF O=C(C[C@@H]1CC(c2ccc(O)cc2)=NO1)Oc1ccccc1 37858806 AAXRYJXUKOFPON-HNNXBMFYSA-N 297.310 2.881 0 1 CFAF CC1(C)Oc2cc(-c3ccc(O)cc3)cc(O)c2C[C@@H]1O 199514214 YOCBNPPKRGNBJK-INIZCTEOSA-N 286.327 2.839 0 1 CFAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2ccnc(Cl)c2[nH]1 587961157 DJSGKXGLMVYBIC-HTQZYQBOSA-N 263.728 2.769 0 1 CFAF CN[C@@H](c1cccnc1)c1nc2cc(F)c(F)c(F)c2[nH]1 587223560 OCSHRCVJELJSBH-LBPRGKRZSA-N 292.264 2.684 0 1 CFAF CC[C@H]1OCCC[C@H]1c1nc2ccc(CO)cc2[nH]1 586914529 WGLXSLLCPYVJCM-BXUZGUMPSA-N 260.337 2.728 0 1 CFAF COc1ccc([C@@H](O)[C@H](C)c2nc3cccnc3[nH]2)cc1 587935903 JUYSXNURBBKTBI-HZMBPMFUSA-N 283.331 2.804 0 1 CFAF COc1cccc(Cc2nc3cncc(OC)c3[nH]2)c1 587929958 BDKKEXCKISKRER-UHFFFAOYSA-N 269.304 2.566 0 1 CFAF COc1cc2c3c(c1)OC1(C[C@@H]4CC(=O)C[C@H]4C1)[C@@H](C2)C3=O 587447396 RJDADFCLZWXOLA-MJVIPROJSA-N 298.338 2.571 0 1 CFAF Cc1cccc(-c2nc3nc(O)nc(O)c3cc2C)c1 587560905 INDIGLPFCUAUCK-UHFFFAOYSA-N 267.288 2.720 0 1 CFAF O=C1c2cc(O)ccc2[C@H]2C[C@@H]1c1ccc(O)cc1C2=O 13588099 YIXGODOYVHIXIJ-HUUCEWRRSA-N 280.279 2.748 0 1 CFAF Cc1coc2c1[C@@H](O)[C@@]1(C)[C@H](CC[C@H](O)[C@@H]1C)C2 15220385 JWKRZHJQYDUUNQ-GLRJYAJPSA-N 250.338 2.591 0 1 CFAF Cc1ccc2nc(CO[C@@H]3CN(C(C)C)C[C@@H]3F)[nH]c2c1 2356301739 DCOJTAJYKJTYMI-SWLSCSKDSA-N 291.370 2.819 0 1 CFAF CC[C@@H]1O[C@]2(C)C[C@H](S(=O)(=O)c3ccccc3)C[C@@H]1O2 102920609 KYUURSSCXNRXMX-QPSCCSFWSA-N 296.388 2.533 0 1 CFAF Cc1cc(C)nc(NC(=N)NCCc2ccccc2)c1 28384766 BTEULRKVWLCTIO-UHFFFAOYSA-N 268.364 2.877 0 1 CFAF CC(C)(C)C(=O)CSc1nc(O)c2c(n1)CCCC2 100898624 PUSCPKKXPYKROH-UHFFFAOYSA-N 280.393 2.768 0 1 CFAF COc1cc(C(=CCl)COC(C)=O)c(O)cc1C 2356545492 KOIBCYNJHMILKK-UHFFFAOYSA-N 270.712 2.852 0 1 CFAF O=c1[nH]c(Nc2ccccc2O)cc2ccccc12 136836495 HNQMDWNLNQXXEB-UHFFFAOYSA-N 252.273 2.977 0 1 CFAF Cc1ccc(S(=O)(=O)N2CC3=C(C2)[C@@H]2C[C@]2(C)C3)cc1 95567123 NYRJAMPXVAQGLH-HOTGVXAUSA-N 289.400 2.726 0 3 CFAF Cc1cc(N2C(=O)[C@@H]3CCCN3[C@@H]2c2cccs2)no1 618006790 ASOCAEHGWMUEFW-GWCFXTLKSA-N 289.360 2.554 0 1 CFAF CNC(=O)c1ccc(-c2cc(Cl)ccc2Cl)c(=N)[nH]1 473124130 WFPQNYAVINGECJ-UHFFFAOYSA-N 296.157 2.828 0 1 CFAF C[C@H](Cc1ccc([Si](C)(C)C)cc1)CN1CCOCC1 653767618 HWEWNCNOTFQPRK-OAHLLOKOSA-N 291.511 2.743 0 1 CFAF Nc1ccc(/C=C/c2nc3cc(F)cnc3[nH]2)cc1 587251780 NRYKAIKYPZUDPG-ZZXKWVIFSA-N 254.268 2.850 0 1 CFAF CC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)CO1 587530065 ATSNWVITUMLTPJ-GOSISDBHSA-N 298.338 2.773 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(O)ccc1O)O2 587403664 KBBUFOZNLWMGFQ-OAHLLOKOSA-N 285.299 2.695 0 1 CFAF CC[C@H](C)c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 587956246 OZKJKNCTUAFEDD-QMMMGPOBSA-N 262.309 2.872 0 1 CFAF CC(C)=CCC/C(C)=C\c1nc2c(O)nc(O)nc2[nH]1 587967226 IWGSLUOHGLCFMF-CLFYSBASSA-N 274.324 2.914 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCCN(C)C)O2 587387111 NEXNQGQDHYHOHH-MRXNPFEDSA-N 276.380 2.643 0 1 CFAF O[C@@H]1C[C@H](c2nc3c(Cl)ncnc3[nH]2)c2ccccc21 586901337 GZKWHNVBUJSWGL-VHSXEESVSA-N 286.722 2.575 0 1 CFAF CC(C)(O)CCC[C@](C)(O)c1ccc(C(=O)O)cc1 1857604662 SUKCYURWDIHIHE-HNNXBMFYSA-N 266.337 2.534 0 1 CFAF O=C(Cn1cc2c(n1)CCCC2)N1CCCc2ccccc21 5146752 XBDYGWYLASLBQM-UHFFFAOYSA-N 295.386 2.741 0 3 CFAF CCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1 13745605 RLCMLPDHGFXRGC-UHFFFAOYSA-N 260.337 2.587 0 1 CFAF Cc1cc(NC(=O)C(C)C)ncc1NC(=O)c1ccccn1 1358445 PQLRCHMTYUUYBL-UHFFFAOYSA-N 298.346 2.632 0 3 CFAF CCCCC/C=C(/NC(=O)[C@H]1CC1(C)C)C(=O)O 26021683 WIESNNVNXBYTFK-MXBGMFSPSA-N 253.342 2.698 0 1 CFAF CN1CCCC[C@@H]1Cc1nc(Cc2cccc(F)c2)no1 20855560 WGJSRTNYGDRREC-CQSZACIVSA-N 289.354 2.826 0 1 CFAF Cn1[nH]cc2nc(-c3ccc(C(F)(F)F)cc3)nc1-2 103594453 GGVFLMZPGJCQLQ-UHFFFAOYSA-N 266.226 2.934 0 1 CFAF CCc1ccc(OC[C@H](O)[C@H](C)NC(C)(C)C)cc1 28227097 ILFYZXRVILFBCR-WFASDCNBSA-N 265.397 2.765 0 1 CFAF CCCCNc1nc(N2C[C@@H](C)O[C@H](C)C2)ncc1C 82202926 MNULHYZDELNFGF-CHWSQXEVSA-N 278.400 2.611 0 1 CFAF CC(C)[C@@]1(C)SC(N[C@@H]2C[C@H]3CC[C@@H]2C3)=NC1=O 49793151 YCNCXQNUXCHRRX-ICUOPCATSA-N 266.410 2.809 0 1 CFAF Cn1nnnc1C(=O)CCCCCCc1ccccc1 40835619 QWDQJDGAUYZMOU-UHFFFAOYSA-N 272.352 2.586 0 1 CFAF Cc1cccc([C@@H]2N(c3nccs3)C(=O)[C@@H]3CCCN32)c1 253977887 TWVRKYZBBYRSFS-KBPBESRZSA-N 299.399 2.961 0 3 CFAF Oc1ccc(-c2nc3ccnc(O)c3[nH]2)c(Cl)c1 587053251 APLGEVDPXAKXSF-UHFFFAOYSA-N 261.668 2.690 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOC(C)(C)C1)O2 587415072 YKWJCSPLZIHYTQ-INIZCTEOSA-N 275.348 2.870 0 1 CFAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)C(F)F 587638245 UNJPOWJWXZVKGH-UHFFFAOYSA-N 253.204 2.622 0 1 CFAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cccnc2[nH]1 586907916 OTYVYCRFYNWJRM-SECBINFHSA-N 267.288 2.539 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H]1CCCO1)O2 587413962 UPOUXINWAFXHLE-ZBEGNZNMSA-N 275.348 2.870 0 1 CFAF CSCC(C)(C)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586969739 XBPMUHKXHTVQHQ-UHFFFAOYSA-N 291.376 2.534 0 1 CFAF CC(=O)CCC[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587403393 LQPYZAWEOKJVQA-LLVKDONJSA-N 261.321 2.670 0 1 CFAF C=C1C=C(C(F)(F)C(F)(F)F)n2nc(C(=O)O)cc2N1 957614069 GBLCMNOPUNUFFX-UHFFFAOYSA-N 295.167 2.559 0 1 CFAF COc1cccc2cc3c(nc12)[C@H](CC[C@H]1CCO1)NCC3 963059770 UPCFJUKMGRHVPN-GJZGRUSLSA-N 298.386 2.999 0 1 CFAF CNC(=O)c1cncc(C=Cc2ccccc2C)c1 1857623374 IDHOIXYTISLBFT-UHFFFAOYSA-N 252.317 2.920 0 1 CFAF O=C1N[S@](=O)(=Nc2ccccc2)c2ccccc21 1772579251 HXSJWIVDPMQIMK-GOSISDBHSA-N 258.302 2.504 0 1 CFAF COc1c(N[C@H](C)CCN)cc(OC)c2c(C)ccnc12 169322721 LGYVGGURFORDSZ-LLVKDONJSA-N 289.379 2.710 0 1 CFAF Oc1cccc(OCCN2CCN(c3ccccc3)CC2)c1 169332657 OSDSOWLSXBYFHE-UHFFFAOYSA-N 298.386 2.593 0 1 CFAF O=C(c1ccncc1)N1N=CC[C@@H]1c1ccccc1 33901019 NCNSWABPPPVHPQ-CQSZACIVSA-N 251.289 2.655 0 1 CFAF CCNc1ccc2c(n1)N(CC)c1ncccc1C(=O)N2C 6385380 DPXBRUSUWOSCSF-UHFFFAOYSA-N 297.362 2.656 0 1 CFAF Cc1nc2ccccc2c2c1C(=O)N(CC(C)C)C2=O 8661217 QRBQZGVXOGIFBB-UHFFFAOYSA-N 268.316 2.795 0 1 CFAF CC(C)Nc1nc2ccc(Cl)cc2n2cnnc12 26296950 XZXVDBBPURDNMY-UHFFFAOYSA-N 261.716 2.751 0 1 CFAF O=C1CSc2cc(Cl)ccc2N1C[C@H]1CCCO1 103174409 QIVJTIAKUFWTCD-SNVBAGLBSA-N 283.780 2.958 0 1 CFAF COc1ccc2c(c1)[C@H](c1ccc(C(C)=O)o1)OC2=O 29310336 KTVRYSLCSNORPS-CQSZACIVSA-N 272.256 2.751 0 1 CFAF O=C(Nc1ccccc1N1CCCCC1)c1ccno1 29039423 WXDDTTSLPVVQOT-UHFFFAOYSA-N 271.320 2.917 0 1 CFAF COc1ccc(CN[C@@H](C)c2onc(C)c2C(=O)O)cc1 2356479990 LFVVSRISUUZJBA-JTQLQIEISA-N 290.319 2.541 0 1 CFAF CC=C1CN2CC[C@@]34C(=Nc5ccccc53)[C@H]2C[C@H]1[C@H]4CO 2356539444 OPQGQQPUILZXAQ-LRCYWBKYSA-N 294.398 2.673 0 1 CFAF CO[C@@H]1OCC2=C3CC(C)(C)[C@H](O)[C@@H]3[C@H](C)CC[C@H]21 2356813272 CFFMFQWHVUGANZ-NUQSWYPYSA-N 266.381 2.739 0 1 CFAF CC(C)C[C@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(=O)O 33626079 INCRGCAIRMMQQJ-ILXRZTDVSA-N 285.428 2.782 0 1 CFAF in-vivo C/C1=C\CC[C@@H](C)[C@@H](C)OC(=O)CC[C@](C)(O)/C=C\[C@H]1O 83924151 YFBAYNVMPAOPKZ-GBZQKANISA-N 296.407 2.743 0 1 CFAF in-vitro CCOC(=O)c1cc2cc(C(=O)OC)ccc2s1 49070769 QKAXVUHMSRWDEO-UHFFFAOYSA-N 264.302 2.865 0 1 CFAF CN(Cc1ccon1)C[C@@H]1CCOc2ccccc2C1 95525113 NMWACOAVONDNCK-CYBMUJFWSA-N 272.348 2.748 0 1 CFAF CCOP(=O)(CCC(=O)Nc1nccs1)OCC 96907995 ZCPZXBCUEJJTLI-UHFFFAOYSA-N 292.297 2.738 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1cnsc1)[C@@H](C2)C3=O 587452965 OMZNQXHYOQCUHS-IINYFYTJSA-N 273.313 2.640 0 1 CFAF Clc1ccccc1CCc1nc2cnncc2[nH]1 587059050 MCKIHJIKJCJCLK-UHFFFAOYSA-N 258.712 2.792 0 1 CFAF Oc1ncnc2[nH]c(/C=C/c3ccc(F)cc3F)nc12 587152156 ZULABRWPNQXSMK-DUXPYHPUSA-N 274.230 2.507 0 1 CFAF CC[C@@]1(C)C[C@@H]1c1nc2ccc(C(=O)OC)nc2[nH]1 586893870 ZAVDQXJIPKIPIA-CLAHSXSESA-N 259.309 2.648 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)[C@@H](C1CCCC1)CC3 587561721 KAFXWUHIHODEFH-SNVBAGLBSA-N 271.320 2.656 0 1 CFAF CN[C@H](c1cccnc1)c1nc2cc(F)c(F)cc2[nH]1 587220456 CBFCRPVAGQXLGX-CYBMUJFWSA-N 274.274 2.545 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](CC1COC1)CC2=O 587491246 ODWANPMSDJJNPU-LLVKDONJSA-N 276.332 2.715 0 1 CFAF COc1ncc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)s1 587414270 STJXLKCUMQAKMN-NSHDSACASA-N 290.344 2.749 0 1 CFAF CCCCCCNC(=O)N1C(=O)c2ccccc2C1=O 1772573565 AABQABNKAIQJFE-UHFFFAOYSA-N 274.320 2.573 0 1 CFAF C/C1=C/C[C@H](O)[C@@H](C)C[C@@H]2OC(=O)[C@@H](C)[C@@H]2CC1 14453717 LAOQYXNUSDEVJK-OUTBJTCXSA-N 252.354 2.681 0 1 CFAF in-man CC(C)(C)C(=O)Nc1ccnc(-c2ccncc2)n1 27899393 IVPWAAKUEPYXPV-UHFFFAOYSA-N 256.309 2.523 0 1 CFAF COc1cc(C)c2c(O)c3c(cc2c1)[C@H](O)CCC3=O 2356325736 ZQENMXXRMQUJJM-GFCCVEGCSA-N 272.300 2.872 0 1 CFAF O=c1cc(C(F)(F)F)nc(CCc2ccccc2)[nH]1 28377521 YOCQIPVDBZLADD-UHFFFAOYSA-N 268.238 2.574 0 1 CFAF C[C@@H](N/C(=C\[N+](=O)[O-])Nc1ccncc1)C(C)(C)C 100028744 HROMFWYXZZRCFJ-QSARLWQPSA-N 264.329 2.593 0 1 CFAF CSc1nc2ccc(O)nc2n1-c1ccccc1 118267929 MZUUYJVFYBWZOS-UHFFFAOYSA-N 257.318 2.848 0 1 CFAF O[C@@H]1c2cc(Cl)ccc2S[C@@H]1Cn1ccnc1 27415721 RJHFKKKOUBPXBG-VXGBXAGGSA-N 266.753 2.744 0 1 CFAF OCC1=CCc2cc(O)ccc2-c2cc3c(cc21)OCO3 2356736817 RPUVYFYELDVVAE-UHFFFAOYSA-N 282.295 2.720 0 1 CFAF COC(=O)C1=C[C@@H]2[C@H](O)C(C)(C)C[C@]23[C@@H](C)CC[C@@H]13 2356748162 ZOFNLFXDQSATBP-SXBWXJKFSA-N 264.365 2.539 0 1 CFAF C[C@@H]1CC[C@]2(C)C(C)(C)[C@H]3C[C@@]12[C@H](O)C=C3C(=O)O 2356752756 OHVOURKKOMEQPG-ROGCUXJCSA-N 264.365 2.841 0 1 CFAF CC[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1ccccc1 2356810148 AWWFFQQKMRFNDL-DZKIICNBSA-N 287.407 2.929 0 1 CFAF c1cncc(-c2noc(CCc3cn4ccccc4n3)n2)c1 32587167 RZWNLTLLLXRGNR-UHFFFAOYSA-N 291.314 2.565 0 1 CFAF CCNC(=O)Nc1cn2ccc(-c3cccnc3)cc2n1 38303885 PYZMEDIQNNYNLN-UHFFFAOYSA-N 281.319 2.538 0 1 CFAF OCc1cccc(-c2nnc(-c3ccc(O)cc3)o2)c1 49112028 FWWGCZKNDQEYKX-UHFFFAOYSA-N 268.272 2.602 0 1 CFAF CC1=C2C[C@]3(C)[C@@H](C)CCC[C@]3(O)C[C@H]2OC1=O 85848417 MVFHOCUIRUKOFG-FFFUXKDYSA-N 250.338 2.580 0 1 CFAF CCC[C@H]1OC(=O)[C@@H](Sc2ccccc2)[C@@H]1CC(=O)O 40834695 YEEDVGAXWQCIRV-BZPMIXESSA-N 294.372 2.964 0 1 CFAF CCCCc1nc2nc(N3CCC[C@@H]3C)ccc2[nH]c1=O 82231354 HDZIPEAKHKRKAG-NSHDSACASA-N 286.379 2.649 0 1 CFAF O=P(O)(O)Oc1cccc(Nc2ccccc2)c1 96931993 YAHVCPPEVJLABR-UHFFFAOYSA-N 265.205 2.902 0 1 CFAF CC[C@H](C)[C@@H]1CCCc2cc3c(O)nc(O)nc3nc21 587562426 ZZDKDHOCBLOBJW-WPRPVWTQSA-N 273.336 2.902 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(=O)O)cc1)O2 587406051 DHUVFOGJZZPDHN-OAHLLOKOSA-N 297.310 2.982 0 1 CFAF COc1cccc([C@H](C)Cc2nc3ncc[nH]c-3n2)c1 587933209 ZCYRDATUAJDXKP-SNVBAGLBSA-N 268.320 2.659 0 1 CFAF Fc1cccc([C@H]2C[C@H]2c2nc3ncc[nH]c-3n2)c1 587161441 OENKBEMQVPYZOT-GHMZBOCLSA-N 254.268 2.715 0 1 CFAF O=C(O)[C@@H]1CCCc2nc3cccc4c3c(c21)CC4 587215592 QUTGFDCXXTUFMA-LLVKDONJSA-N 253.301 2.838 0 1 CFAF Cc1c(Br)cc2nc(C[C@H](C)O)[nH]c2c1C 586893304 XKXGZOZMQRQGIU-LURJTMIESA-N 283.169 2.866 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C1CCOCC1)O2 587412134 MBQLSDDZMCRNNA-INIZCTEOSA-N 275.348 2.728 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCCC[C@H](C)O)O2 587403046 DKPIWKKBWAYGNU-RYUDHWBXSA-N 277.364 2.852 0 1 CFAF COC(=O)C[C@H](C)Cc1nc2ccc(C)c(C)c2[nH]1 587786934 TXZVDWDBYIVMPG-SECBINFHSA-N 260.337 2.921 0 1 CFAF COC(=O)[C@H](N=O)c1[nH]c2cc(F)ccc2c1C 587635046 GNSQSQSAAKZYBN-LLVKDONJSA-N 250.229 2.596 0 1 CFAF O=C1c2cccc3c2N(CC3)C(=O)[C@@H]1c1ccccc1 957743261 OFNJAJVUWUUXFG-CQSZACIVSA-N 263.296 2.556 0 1 CFAF Cc1cccc(-c2cc3ncnc(NN)c3s2)c1 958064354 IFSYBUCZAIXAOI-UHFFFAOYSA-N 256.334 2.952 0 1 CFAF Cc1cc2c(cc1F)[C@]1(CCNc3ncccc31)NCC2 962146447 OCEVSVMPPJOILB-QGZVFWFLSA-N 283.350 2.734 0 1 CFAF COP(=O)(OC)[C@@](C)(CO)N[C@@H](C)c1ccccc1 1857597684 YMIIVIOFEQNNQN-AAEUAGOBSA-N 287.296 2.532 0 1 CFAF CO[C@]12CCC(=O)N1C=Cc1c2[nH]c2ccccc12 5882519 RTFHEMDXAFYHIT-HNNXBMFYSA-N 254.289 2.574 0 1 CFAF O=C1CCC[C@H]2O[C@@H](COCc3ccccc3)C[C@@H]12 5922640 FQJMYRXJHSNLLJ-IJEWVQPXSA-N 260.333 2.730 0 1 CFAF Oc1ccc2c(c1)CC[C@@H]1Oc3cc(O)ccc3N=C21 12353751 YVCCFKDKQAZFTM-AWEZNQCLSA-N 267.284 2.926 0 1 CFAF COc1ccc2c(c1)C(=O)c1nccc3ccnc-2c13 14690476 RAQONDJMSQGXFF-UHFFFAOYSA-N 262.268 2.850 0 1 CFAF O[C@]12[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@@H]1[C@H]6[C@@H]([C@@H]35)N2Cc1cccc(Cl)c1 169295984 QSSZMHMBGVJKCS-MPBJDUKMSA-N 299.801 2.601 0 1 CFAF COC(=O)[C@H]1[C@@H](c2ccccc2)C[C@@H]2CCC[C@@H]1N2C 169326138 BKQAVNYMOZGBMJ-FZKCQIBNSA-N 273.376 2.816 0 1 CFAF Nc1nc(-c2ccc(Cl)cc2)c2ccnc(O)c2n1 169327243 UROVWJAOYGYPRP-UHFFFAOYSA-N 272.695 2.633 0 1 CFAF CCC[C@H]1[C@@H](O)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205712893 VYELOBOLAFKFNH-ORIJERBGSA-N 265.397 2.719 0 3 CFAF C[C@H](CO)[C@H]1CCc2coc3cc(C(=O)O)cc1c23 1857567918 NJYGTKDUQVRJAI-LDYMZIIASA-N 260.289 2.789 0 1 CFAF CCCc1c(O)c(C=O)c(C=O)c(O)c1CCC 27704132 LSILKXADLWXMRZ-UHFFFAOYSA-N 250.294 2.628 0 1 CFAF CCc1cnc(CSc2cnc(NC(C)=O)s2)o1 23682 NRCIGJZLDFFIDD-UHFFFAOYSA-N 283.378 2.944 0 1 CFAF CN(C)Cc1ccccc1-c1cc(NC2CC2)ncn1 4267753 OCFVWDLBFQUDKL-UHFFFAOYSA-N 268.364 2.780 0 1 CFAF CN1[C@@H]2CC[C@@H]1[C@@H](/C=C/CO)[C@@H](c1ccccc1)C2 100913511 BAROFIYZXNPKFU-QAZZUBQKSA-N 257.377 2.801 0 1 CFAF COc1cc(CCc2ccccc2O)c(O)c(OC)c1 28643942 SOQFHAYSPCFCHG-UHFFFAOYSA-N 274.316 2.900 0 1 CFAF C[C@H](C(=O)O)[C@@H]1CC[C@@H]2[C@H]3CCC(=O)NC3=CC[C@]12C 2356438774 RXYKCVVRCSCETH-OOPIDFETSA-N 277.364 2.553 0 1 CFAF CC(=O)O[C@@H]1CC(C)=C2CC=C(C)[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@@H]21 2356471458 XNQSEZFWFNDBST-IRHMCKRBSA-N 290.359 2.782 0 1 CFAF C[C@@H](CC1=C(CO)COC1=O)C1=CCC(C)(C)C1 34084081 ASKJTZIKSPCIKT-JTQLQIEISA-N 250.338 2.605 0 1 CFAF endogenous,in-man CC(C)(C)N1O[C@@H]2C[C@H]1c1nc3ccccc3n1C2 36373844 NPCGQMDRXCHFDL-MFKMUULPSA-N 257.337 2.895 0 1 CFAF Cc1n[nH]cc1-c1csc(Nc2ccccn2)n1 72121411 YDOWIMXOKOTLRG-UHFFFAOYSA-N 257.322 2.980 0 1 CFAF NC(=O)c1cc2c(-c3ccc4c(c3)OCO4)cncc2s1 220553089 LWQUSFIODNCWKU-UHFFFAOYSA-N 298.323 2.791 0 1 CFAF CC(=O)c1cc[n+](CCCN2C=CC(=CN=O)C=C2)cc1 199111251 ZWWBGLSTYRLCEX-UHFFFAOYSA-N 284.339 2.560 0 1 CFAF COc1ccc2c(cnn2-c2cncc(C(C)(C)O)c2)c1 221342601 GLFDAEVWJHXGPL-UHFFFAOYSA-N 283.331 2.657 0 1 CFAF S=C1N[C@H](c2ccc(Cl)cc2)N2CCCCN12 96282416 IMEAXYQKJAAMFM-NSHDSACASA-N 267.785 2.540 0 1 CFAF Oc1ccc2[nH]c3ncnc(N[C@H]4CC[C@H](O)CC4)c3c2c1 653628370 YHUDUKUWOCBPBX-MGCOHNPYSA-N 298.346 2.532 0 1 CFAF Oc1ccc2scc(-c3nc4cnncc4[nH]3)c2c1 587032655 LTWOTHYPBAWCDN-UHFFFAOYSA-N 268.301 2.940 0 1 CFAF Cc1ccnc2[nH]c([C@@H](C)n3cc(Cl)cn3)nc12 587082797 WUJJDQGBAFYLEW-MRVPVSSYSA-N 261.716 2.726 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccnc1C)O2 587393706 KKAOJYNNLPULOV-OAHLLOKOSA-N 268.316 2.987 0 1 CFAF CC1(C)c2nc3nc(O)nc(O)c3cc2[C@@H]1c1ccccc1 587561232 FZUJEPBNWUZFBH-LBPRGKRZSA-N 293.326 2.859 0 1 CFAF Oc1nccc2[nH]c(-c3cc4c(s3)CCC4)nc12 587037725 XLIZDADDUVMCAH-UHFFFAOYSA-N 257.318 2.881 0 1 CFAF FC(F)COc1cccc(-c2nc3ncccc3[nH]2)n1 587129955 OXGKREUODXLLCL-UHFFFAOYSA-N 276.246 2.664 0 1 CFAF Oc1ccc2scc(-c3nc4cnnc(O)c4[nH]3)c2c1 587033055 QGLLZDJABNFFJN-UHFFFAOYSA-N 284.300 2.646 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1csnc1C)[C@@H](C2)C3=O 587451795 KRURBPWJHCNOJT-ZUZCIYMTSA-N 287.340 2.949 0 1 CFAF CCC[C@H]1[C@@H](N)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205712940 HDKFZOAJLIYWJK-ORIJERBGSA-N 264.413 2.685 0 3 CFAF C#Cc1ccc(C(=O)Nc2ccc([C@@H]3CCNC3)cc2)cc1 117718294 YGLXTJSLKBZUKF-QGZVFWFLSA-N 290.366 2.997 0 1 CFAF O[C@@H]1c2[nH]c3ccccc3c2CCN2CCCC[C@@H]12 1655833 LOTZCVIDSNBKKE-HOCLYGCPSA-N 256.349 2.612 0 1 CFAF COc1cc([S@](C)=O)c(OC)c2ccccc12 2356325462 XSMOSYUKLPYTRX-KRWDZBQOSA-N 250.319 2.594 0 1 CFAF CNC(=O)/C(=C/c1ccccc1O)c1ccccc1 103272782 ZDNXATPRHOZMRS-SDNWHVSQSA-N 253.301 2.679 0 1 CFAF CCC(=O)N(c1ccccc1)[C@@H]1CCC[C@@H]1N(C)C 28236418 NFXVAHYPHHWBBD-LSDHHAIUSA-N 260.381 2.912 0 1 CFAF Cc1ccc(-c2cc3nc4c(c(=O)n3[nH]2)CCCC4)cc1 103895389 CNYNFUIRBROHOU-UHFFFAOYSA-N 279.343 2.877 0 3 CFAF Cc1cc([C@@H](c2ccccc2)N2CCN(C)CC2)sn1 28244343 CZJZTCYIQXDFDQ-MRXNPFEDSA-N 287.432 2.788 0 1 CFAF c1ccc(CN2CCN(c3cccc4[nH]cnc34)CC2)cc1 26579141 ZNBOBGDGUIWKPE-UHFFFAOYSA-N 292.386 2.885 0 1 CFAF in-vivo COc1cc([C@H]2COc3ccccc3[C@@H]2O)ccc1O 66074694 MOQNWTYYZUVPQT-WBMJQRKESA-N 272.300 2.610 0 1 CFAF Oc1ccc(CNc2cccnc2)c2cccnc12 36381416 YEXMKBTXTVUONI-UHFFFAOYSA-N 251.289 2.948 0 3 CFAF COC[C@]1(O)[C@@]2(C)C[C@@H]3CCC[C@@]2(C)[C@@H]3[C@@]12CCC[C@@H]2O 85545597 SWDAGTBJDSMABM-AYBFGTKDSA-N 294.435 2.741 0 1 CFAF biogenic,in-vitro CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1C 40380100 YIEXSVBTWQZEGZ-ZWKOTPCHSA-N 283.371 2.622 0 1 CFAF Cc1ccc2c(=O)[nH]c(-c3ccccc3CO)cc2c1 40934232 BKCKGXKVXNMAJW-UHFFFAOYSA-N 265.312 2.996 0 1 CFAF c1ccc(CCN2CCCN(c3cccnc3)CC2)cc1 473089100 QVPDKBPMFZEUOG-UHFFFAOYSA-N 281.403 2.836 0 1 CFAF Nc1ccnc2[nH]c(COC/C=C\c3ccccc3)nc12 587781388 UTMQNZYTEXOKAC-DAXSKMNVSA-N 280.331 2.770 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(CCCC[C@H]1OC)[C@@H](C2)C3=O 587441358 GIJQMZVFQXNQGD-QEORTHHSSA-N 288.343 2.770 0 1 CFAF COc1cc2nc(C[C@H]3CCC(=O)[C@@H]3C)[nH]c2cc1OC 587960756 BJACWKOKBUWWER-NXEZZACHSA-N 288.347 2.738 0 1 CFAF CSCC[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587409036 JTDZJLHNTAWBND-SECBINFHSA-N 251.351 2.664 0 1 CFAF Fc1cccc([C@@H]2C[C@H]2c2nc3cnncc3[nH]2)c1 587161654 PDFRWDXMSZAUJV-WDEREUQCSA-N 254.268 2.763 0 1 CFAF COc1cnc(-c2nc3ncnc(Cl)c3[nH]2)cc1Cl 587064221 FGAUMVFHNYZMSH-UHFFFAOYSA-N 296.117 2.730 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C3CC3)[nH]n1)O2 587397573 XNKTYFIMLPXXRW-OAHLLOKOSA-N 283.331 2.884 0 1 CFAF CSCC(C)(C)c1nc2cnc(C(F)(F)F)[nH]c-2n1 586969682 VOVSNRIGWSNELY-UHFFFAOYSA-N 290.314 2.964 0 1 CFAF Nc1c(F)c(F)cc(-c2nc3cccc(O)c3[nH]2)c1F 587137258 WEQGFOMCPMLTDD-UHFFFAOYSA-N 279.221 2.935 0 1 CFAF COc1ccc(O)n1[C@@H](COc1cc(F)cc(F)c1)N=O 587945769 QPIFBVHHJXEJII-NSHDSACASA-N 298.245 2.825 0 1 CFAF Cc1cc(Cl)cc2nc(/C=C\S(C)(=O)=O)[nH]c12 586923834 XMZAICLSQSCIPS-ARJAWSKDSA-N 270.741 2.540 0 1 CFAF CC(=O)c1ccc([C@@H]2NCCc3c(C)ccnc32)cc1 963071384 ROTYVYXBQMXZRK-INIZCTEOSA-N 266.344 2.828 0 1 CFAF O=C(Nc1n[nH]c2cc(-c3ccncc3)ccc12)C1CC1 1772657525 RPAPUMCSIIWVIG-UHFFFAOYSA-N 278.315 2.973 0 1 CFAF COc1ccc(C)c2c1CC[C@H](CN1CCCC1)C2=O 169319271 OEFAIOYMNCSRSW-CYBMUJFWSA-N 273.376 2.845 0 1 CFAF Clc1cccc2nc3n(c12)C[C@@]1(CN2CCC1CC2)O3 1857756139 YGWLMJHGCHZIHA-OAHLLOKOSA-N 289.766 2.547 0 1 CFAF COc1cc(C(=O)c2ccccc2O)cc(OC)c1OC 26575649 VPMCTXXNPNXEPJ-UHFFFAOYSA-N 288.299 2.649 0 1 CFAF COC(=O)[C@@H]1[C@H](Cc2ccccc2)C[C@H]2CC[C@H]1N2C 100803178 YHWZJYKIOUHJGH-KLHDSHLOSA-N 273.376 2.501 0 1 CFAF CC(C)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21 8581900 MJALZBJFTIQSSR-UHFFFAOYSA-N 287.298 2.501 0 1 CFAF O[C@@](c1ccccc1)(c1cncnc1)c1cccs1 28768422 PLFWOOFJYROEPE-HNNXBMFYSA-N 268.341 2.822 0 1 CFAF C[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)c(Cl)c1 117253503 VLQMJAVPQYTEKB-YUMQZZPRSA-N 289.162 2.864 0 1 CFAF CC(C)[C@@]1(C)OC(N[C@H](C)c2ccccc2)=NC1=O 28824013 ULVBIABWEWJWQK-IAQYHMDHSA-N 260.337 2.665 0 1 CFAF O=C(O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1cccc(Cl)c1 101556134 COXGMHOTCMIWCZ-PNZRWIHMSA-N 291.734 2.801 0 1 CFAF c1ccc(CCN2c3ccccc3C[C@@H]2C2=NCCN2)cc1 29340423 MUVWVPJRKPGWFG-GOSISDBHSA-N 291.398 2.662 0 1 CFAF CNC(=O)Oc1cccc2c1SC[C@@H]1CCN(C)[C@@H]21 28467622 HDQBOOHWHLECAC-JOYOIKCWSA-N 278.377 2.503 0 1 CFAF CCOC(=O)CCCNc1ccc(C(=O)OCC)cc1 29214387 ZKUAGHSOFDQWDX-UHFFFAOYSA-N 279.336 2.619 0 1 CFAF COc1cc[nH]c1/C=C1/C(=O)Nc2ccc(F)cc21 28017103 BDXDLMWAHSTBQF-JXMROGBWSA-N 258.252 2.655 0 1 CFAF c1cn(-c2ccc(N3CCC(NC4CC4)CC3)cc2)cn1 63834693 QFHDSCWSJYSSMZ-UHFFFAOYSA-N 282.391 2.593 0 1 CFAF CCc1c(C)[nH]c2cc(OCCCO)c(Cl)cc2c1=O 73240168 GDSYIFBWCKEHNL-UHFFFAOYSA-N 295.766 2.814 0 1 CFAF Cc1cccc(Nc2nnc(-c3ccncc3)n2C)c1 72116225 YSIAERDJQFCTKQ-UHFFFAOYSA-N 265.320 2.929 0 1 CFAF CCOC(=O)c1cc(COc2ccc3cc[nH]c3c2)on1 45373738 IPILEHJCOXYAOD-UHFFFAOYSA-N 286.287 2.912 0 1 CFAF NC/C=C(/F)COc1ccc(C(=O)NC2CCCC2)cc1 43205416 XJTLIUXAOFUPSH-UKTHLTGXSA-N 292.354 2.550 0 1 CFAF C[C@H](N)CCCCNc1cc(O)cc2cccnc12 40414125 SPPDUFUXVAOVQC-NSHDSACASA-N 259.353 2.870 0 1 CFAF CCO[P@@](=O)(NC(C)C)Oc1cc(C)ccn1 96927527 XRNBRNCNYHMBRI-KRWDZBQOSA-N 258.258 2.911 0 1 CFAF CCCCCCOc1nc(-c2ccncc2)cc(=O)n1C 146508598 CUTVEPHNALKITM-UHFFFAOYSA-N 287.363 2.801 0 1 CFAF FC(F)(F)[C@](F)(Cl)c1nc2c(Cl)ncnc2[nH]1 587090723 WOHIDAUXTQMVPX-LURJTMIESA-N 289.019 2.930 0 1 CFAF Fc1nc(Cl)ccc1-c1nc2nc(Cl)c[nH]c-2n1 587177187 BRZVFFWFQAAWTO-UHFFFAOYSA-N 284.081 2.812 0 1 CFAF COc1cccc2nc(C(C)(C)SCC(=O)O)[nH]c12 586959414 NNTDROKNGHBIPV-UHFFFAOYSA-N 280.349 2.624 0 1 CFAF Cn1ncnc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587516250 BGNCUPXBFFIBGC-QGZVFWFLSA-N 297.358 2.575 0 1 CFAF Nc1c(F)c(F)cc(-c2nc3cnc(Cl)[nH]c-3n2)c1F 587136736 LEZHTDSHZWPISO-UHFFFAOYSA-N 299.643 2.624 0 1 CFAF CC(=O)Nc1ccc(Cl)c(-c2nc3cnncc3[nH]2)c1 587050522 OSRBTEDNUPAHEJ-UHFFFAOYSA-N 287.710 2.632 0 1 CFAF CCC[C@]1(Cc2ccco2)c2c(cnn2C)CCN1C 963954188 HLZFBQZHWSFEAN-INIZCTEOSA-N 273.380 2.739 0 1 CFAF CCOC(=O)c1ccc(-c2ccc(OCC)nn2)cc1 1857561085 VKTYOJZXEBBUQV-UHFFFAOYSA-N 272.304 2.719 0 1 CFAF CC(=O)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1 1772589500 SAESCKVBNMDQJG-ZDUSSCGKSA-N 264.712 2.841 0 1 CFAF c1ccc([C@@H]2COCCN2c2ccnc3[nH]ncc23)cc1 1772648806 SHOIDMMLBCSHEP-HNNXBMFYSA-N 280.331 2.536 0 1 CFAF Cc1ccc(CNC(=O)n2c(N)nc3ccccc32)cc1 1772648925 ZXTXFWDTWHDSNX-UHFFFAOYSA-N 280.331 2.685 0 1 CFAF O=C(Nc1ccc2snnc2c1)NC1CCCC1 5152158 AFDSXTVYIHPPJD-UHFFFAOYSA-N 262.338 2.755 0 1 CFAF c1cncc(-c2cc3c(N4CCCC4)n[nH]c3cn2)c1 205246732 LMIYAVYXPFQFDS-UHFFFAOYSA-N 265.320 2.620 0 1 CFAF C=Cc1oc2ccccc2c(=O)c1CN(C)/C=C/C(=O)OC 1857650338 XXGUTUFLGHMCMA-MDZDMXLPSA-N 299.326 2.555 0 1 CFAF COC(=O)C1=C[C@@H]2[C@H]([C@H](C)CO)CC[C@H](C)[C@H]2CC1 2356430046 CFSREXCFEGBBPB-LWOQNUMLSA-N 266.381 2.787 0 1 CFAF Cc1cc(C[n+]2ccsc2N)c2ncccc2c1 3171989 ZDWXUWWTIMZCGG-UHFFFAOYSA-O 256.354 2.523 0 3 CFAF CCC[C@H](C)n1[nH]cc2nc(-c3cncn3CC)nc1-2 20601564 SLLDYCQGCWLMSG-JTQLQIEISA-N 272.356 2.956 0 1 CFAF CC(C)=CCc1ccc(O)c2c1[C@H](O)C[C@@H]([C@@H](C)O)OC2 2356598043 DAAIXDKHKPEZLL-LYRGGWFBSA-N 292.375 2.604 0 1 CFAF O=C(CCCCc1ccc2c(c1)OCO2)N1CCCC1 38921643 SUUYFWPFLGFWRW-UHFFFAOYSA-N 275.348 2.751 0 1 CFAF biogenic,in-vitro COc1ccc(S(=O)(=O)n2ccc3ccccc32)cc1 40917189 TVTFKGKDSMJQEF-UHFFFAOYSA-N 287.340 2.887 0 1 CFAF COC(=O)c1cc(CCc2cccc(OC)c2)ccc1O 40847984 MVWUKQXEYCMVFQ-UHFFFAOYSA-N 286.327 2.973 0 1 CFAF COc1ccc(Oc2nn(-c3ccccc3)c(=O)o2)cc1 140440085 JHXGRECHVPNGQK-UHFFFAOYSA-N 284.271 2.626 0 1 CFAF CC(C)n1cnc2c(Nc3ccncn3)nc(Cl)nc21 95596414 YNYDUIJKRGDDNZ-UHFFFAOYSA-N 289.730 2.594 0 1 CFAF CC(=O)[C@H]1[C@H](c2ccc(F)cc2)C[C@H]2CC[C@H]1N2C 253636804 VFHWZFOARRJNNR-QXSJWSMHSA-N 261.340 2.981 0 1 CFAF Cc1cc2[nH]c(-c3cnc([C@H](C)O)s3)nc2c(C)n1 587022019 NBFJKGLJAPFUEK-QMMMGPOBSA-N 274.349 2.752 0 1 CFAF Oc1nc(O)c2ccc([C@H]3C[C@H]4C=C[C@H]3CC4)nc2n1 587561801 LTNUTNWXOMZTFL-QXEWZRGKSA-N 269.304 2.506 0 1 CFAF Cc1ccc(CCc2nc3nc(Cl)c[nH]c-3n2)cc1N 587250082 GLBZNEANKMRPRS-UHFFFAOYSA-N 287.754 2.634 0 1 CFAF Oc1ccccc1C1(c2nc3cc(F)cnc3[nH]2)CC1 586896611 FXHJVFSTLWKWGQ-UHFFFAOYSA-N 269.279 2.883 0 1 CFAF CSCC(C)(C)c1nc2ccc(CO)cc2[nH]1 586969385 QZSWCUKMDGSOEZ-UHFFFAOYSA-N 250.367 2.696 0 1 CFAF CCCCCCc1cc2c(O)nc(O)nc2nc1C 587562016 XBHRKQYJTQNUPJ-UHFFFAOYSA-N 261.325 2.867 0 1 CFAF CCCSc1nc2cc(C)c(C)cc2n1C[C@@H](O)CO 12523804 DSFZODDJZGXQPJ-GFCCVEGCSA-N 294.420 2.508 0 3 CFAF COc1c(N[C@@H](C)CCN)cc(OC)c2c(C)ccnc12 169322720 LGYVGGURFORDSZ-NSHDSACASA-N 289.379 2.710 0 1 CFAF CN[C@H](Cc1ccccc1)Cc1ccc2c(c1)OCO2 169326699 PIRYYIVTDIXSMQ-OAHLLOKOSA-N 269.344 2.789 0 1 CFAF CCOC(=O)[C@@H]1C(C)=NC(=S)N[C@H]1c1ccc(C)cc1 169700217 HLVSTRRTAQUYKT-OLZOCXBDSA-N 290.388 2.564 0 1 CFAF CCCN(CCC)CCc1ccc(O)c(NC=O)c1 28006539 MNMMJEUIMVXRJX-UHFFFAOYSA-N 264.369 2.625 0 1 CFAF Cc1ccccc1-n1nnc2c(=O)oc3ccccc3c21 211802 KJQORRCKEQRHKP-UHFFFAOYSA-N 277.283 2.835 0 3 CFAF O=C(O)[C@@H]1CCCCN1CCc1c[nH]c2ccccc12 6004821 BHHZUKSUOKMHHL-HNNXBMFYSA-N 272.348 2.650 0 1 CFAF Nc1ncnc2c1c(-c1ccc(F)c(O)c1)nn2C1CCC1 8581914 KUMLEJXITHSWSP-UHFFFAOYSA-N 299.309 2.645 0 1 CFAF CC(=O)N1[C@H]2CC[C@@H]1[C@@H](c1ccc(Cl)nc1)C2 29551125 PNXFGWLSNKMJSP-QJPTWQEYSA-N 250.729 2.602 0 1 CFAF OC[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccccc1 100854106 WUYUVKDBOCFGRF-YIVQKJEISA-N 255.361 2.545 0 1 CFAF Cc1ccccc1-c1nnc(NC2=NC(C)(C)CN2)s1 27998175 LUKPZKVKFYRQPP-UHFFFAOYSA-N 287.392 2.663 0 1 CFAF O=c1[nH]c(-c2ccc3c(c2)OCO3)cc2ccccc12 27522463 REBBEBMIHXXSMZ-UHFFFAOYSA-N 265.268 2.924 0 1 CFAF O=C(O)[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)O 39298324 UUTKSMWBUAJELT-HOTGVXAUSA-N 298.338 2.873 0 1 CFAF CN[C@@]1(c2ccc(OC)cc2Cl)CCCCC1=O 71316976 DBPZQEYKKFGMMD-CQSZACIVSA-N 267.756 2.906 0 1 CFAF CCCCOC(=O)C[C@H]1CC(c2ccc(OC)cc2)=NO1 82155641 CJGLWLOVYFANBN-CQSZACIVSA-N 291.347 2.922 0 1 CFAF CCC(=O)N(c1ccccc1)[C@H]1C[C@@H]2CC[C@H](C1)N2 299820338 LXDOXTWIMJXBEB-AGGWBTHJSA-N 258.365 2.713 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(CCC[C@H](C)C1=O)[C@@H](C2)C3=O 587447793 VMCJUZNSVPLXOP-OVSFNBESSA-N 286.327 2.571 0 1 CFAF N[C@@H](Cc1ccccc1Cl)c1nc2cc(F)cnc2[nH]1 587059784 WLBRGKRPXPIUGZ-NSHDSACASA-N 290.729 2.993 0 1 CFAF Cc1cc(Br)c2[nH]c([C@H]3CC[C@@H]3N)nc2c1 587246123 DDEQYEYQCGFTBA-CBAPKCEASA-N 280.169 2.839 0 1 CFAF COC(=O)Nc1ccc(-c2nc3cc(C)cnc3[nH]2)cn1 587244367 DEKQPGWUTWKGLL-UHFFFAOYSA-N 283.291 2.507 0 1 CFAF Nc1ccnc2[nH]c([C@@H]3SCCc4sccc43)nc12 587036497 CVNVLVXOQFFBJL-LLVKDONJSA-N 288.401 2.980 0 1 CFAF O=C(O)COCc1nc2ccc(Oc3ccccc3)cc2[nH]1 587562996 KUIQEGBZNQJGMQ-UHFFFAOYSA-N 298.298 2.956 0 1 CFAF Oc1cccc2nc(Cc3csc4nccn34)[nH]c12 587039938 GZKRZCYFMUUEPC-UHFFFAOYSA-N 270.317 2.569 0 1 CFAF COc1ccc(OC)c(-c2nc3cc(C)cnc3[nH]2)c1OC 587926013 FYONABOXEZITQF-UHFFFAOYSA-N 299.330 2.959 0 1 CFAF Cc1cc2[nH]c(-c3cccc(CN)c3)nc2c(C)n1 587246133 DMFNIKQTFVWADW-UHFFFAOYSA-N 252.321 2.700 0 1 CFAF Cc1cccc2[nH]c(-c3ccc(N(C)C)cn3)nc12 587194222 AZSSFWYQZWJBII-UHFFFAOYSA-N 252.321 2.999 0 1 CFAF CCN1c2ccccc2N(C)C(=O)c2ccc(F)nc21 5843117 CHJTZZANMQPXIY-UHFFFAOYSA-N 271.295 2.969 0 1 CFAF O=c1oc2cc(O)ccc2cc1-c1cc2ccccn2n1 13861869 SMIXUQPTRQSJSE-UHFFFAOYSA-N 278.267 2.813 0 1 CFAF Oc1ccc(C[C@@H]2COc3c(ccc4c3OCO4)C2)cc1 14811000 MYSCAVCZMPXPHD-LBPRGKRZSA-N 284.311 2.915 0 1 CFAF CN1C(=O)CC[C@H]2[C@@H]1CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 169310064 SQCYNKYOQAZHHL-LRTNIKQMSA-N 291.435 2.821 0 1 CFAF Cc1c(OCC(=O)O)cc2c(c1C)C(=O)[C@@H](C(C)C)C2 169343368 QUDUOTMBPBERLA-GFCCVEGCSA-N 276.332 2.778 0 1 CFAF CCOC(=O)[C@@H](C(C)C)[C@@H](N)Cc1ccc(F)cc1 2944923 UTBUMZRCKSPAIC-KBPBESRZSA-N 267.344 2.531 0 3 CFAF Cn1cc(-c2csc([C@H](O)c3ccc(F)cc3)n2)cn1 61908339 COZAQIWUQFDKBR-CYBMUJFWSA-N 289.335 2.764 0 3 CFAF CCc1c(CN2CCN(CC)CC2)csc1C 20514435 OMYRGHUKLDCCRA-UHFFFAOYSA-N 252.427 2.756 0 1 CFAF COc1cc2oc(=O)ccc2c(OC)c1CCC(C)(C)O 2356614064 GKODSUXRTAOEBB-UHFFFAOYSA-N 292.331 2.514 0 1 CFAF C[C@@H]1[C@@H](OC(=O)[C@@H](O)c2ccccc2)CCC(C)(C)N1C 3201939 SXLHPJQSZRLJAE-SNPRPXQTSA-N 291.391 2.525 0 1 CFAF biogenic CCOC(=O)[C@H](C)[C@H]1NCCc2c1[nH]c1ccccc21 95556933 MGNUTJXZFFVDDU-QMTHXVAHSA-N 272.348 2.554 0 1 CFAF COc1cc2nc(C[C@H](C)CCC(=O)O)[nH]c2cc1OC 587962689 IPKCGFCKGAIYJQ-SECBINFHSA-N 292.335 2.624 0 1 CFAF COC(=O)c1cc2nc(-c3cnc(Cl)s3)[nH]c2cn1 587022902 DONKQCKMFMFSNR-UHFFFAOYSA-N 294.723 2.521 0 1 CFAF COC(=O)[C@@]1(CC(C)C)CC(=O)c2cc(C)cc(N)c2O1 587399294 JXKLJDJLYORUQU-MRXNPFEDSA-N 291.347 2.500 0 1 CFAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cccnc2[nH]1 587164589 XBRGZUUGHGTLDJ-ZDUSSCGKSA-N 270.311 2.748 0 1 CFAF COc1cc2nc([C@](C)(O)C(C)C)[nH]c2cc1F 586889846 NSFFOVQGWBDLSL-CYBMUJFWSA-N 252.289 2.574 0 1 CFAF C=C(NC(C)=O)c1nc2cc(C)cc(Br)c2[nH]1 587202777 HOSSBHOAETWSCL-UHFFFAOYSA-N 294.152 2.741 0 1 CFAF FC1(F)Oc2cc3nc(CC4CC4)[nH]c3cc2O1 587959295 MDUPMYCQTRIXBL-UHFFFAOYSA-N 252.220 2.837 0 1 CFAF Cc1ccc([C@@]23CC(=O)C(=O)N2c2ccccc2N3)cc1 957743275 SPENTTYPSJFWNM-QGZVFWFLSA-N 278.311 2.579 0 1 CFAF CC1([C@]2(C)NCCc3c(C(=O)O)cccc32)CCOCC1 963128051 ZKFMMMNALZFSAL-QGZVFWFLSA-N 289.375 2.562 0 1 CFAF Cc1cccc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c1 962898858 MPWQYXPNJVVQJR-GOEBONIOSA-N 285.318 2.822 0 1 CFAF CCCCCCNc1nc(O)nc(O)c1Br 1857557018 KSXRNGOXQIEUOJ-UHFFFAOYSA-N 290.161 2.643 0 1 CFAF Oc1ccc([C@@]23CCN[C@@H](Cc4ccc(O)cc42)C3)cc1 169320505 FQNKFEUMOCQLHG-KSSFIOAISA-N 281.355 2.692 0 1 CFAF C[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)cc4[C@@]2(CCN3C)CC1=O 100783339 GJEVWFOGJRBNKF-TWUUUVDRSA-N 285.387 2.505 0 1 CFAF Cc1cc(CC(=O)O)c(N)c(C(=O)c2ccc(F)cc2)c1 28771882 UJHCATOJRKRCLV-UHFFFAOYSA-N 287.290 2.574 0 1 CFAF CN(C)C(=O)c1ccc(-n2sc3ccccc3c2=O)cc1 64700505 ZRWXXJMBGSOSSR-UHFFFAOYSA-N 298.367 2.754 0 1 CFAF C[C@@H]1C[C@H](O)C=C(C(=O)O)CC[C@@H]2[C@@H]1CC2(C)C 2356555358 RZADSQOICCRUDN-GWNIPJSYSA-N 252.354 2.841 0 1 CFAF c1cc(NC[C@H]2CCCN2)nc(-c2cnc3ccccn23)c1 29043938 AZERFJSJERMSDV-CYBMUJFWSA-N 293.374 2.560 0 1 CFAF CC(C)=C[C@@H]1C[C@@H](CC(=O)c2cc(O)ccc2O)C(=O)O1 2356728667 QRWTVFKEWNICIM-CMPLNLGQSA-N 290.315 2.569 0 1 CFAF CCOC(=O)[C@]1(C)CCCCCN1C(=O)c1ccco1 61902836 PFZZHXKJFTWEKD-HNNXBMFYSA-N 279.336 2.618 0 3 CFAF CO[C@]12C(=O)CC[C@@]1(CO)[C@@H]2[C@@H](C)CCC=C(C)C 40567596 JPGKNTGSYJQPOQ-HNKHHVNMSA-N 266.381 2.726 0 1 CFAF COc1cc2c(cc1O)[C@H](C(C)C)N(C(C)=O)CC2 40845073 MYOQMNQKSOIRMP-HNNXBMFYSA-N 263.337 2.503 0 1 CFAF Fc1ccc(/C=C/c2nc3ccccc3n3nnnc23)cc1 40899393 ZXNSWFMIQUEQAR-JXMROGBWSA-N 291.289 2.982 0 1 CFAF CC(=O)O[C@H]1C[C@H]2[C@H](C)C[C@@H]3OC(=O)C(C)=C3[C@H]2C=C1C 238753060 ARFAWNXJYKFWKI-MQQITINDSA-N 290.359 2.782 0 1 CFAF c1ccc(Cc2nsc([C@@H]3CN4CC[C@H]3C4)n2)cc1 95542214 UKDKFBQSHARSBJ-QWHCGFSZSA-N 271.389 2.548 0 1 CFAF COc1ccc2c(c1)CN(Cc1ccco1)C(=O)CCN2 299852171 OMXYFWVSFMMKAL-UHFFFAOYSA-N 286.331 2.633 0 1 CFAF COc1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)n1 587394486 WFDYUOCEBZFTJS-KRWDZBQOSA-N 298.342 2.861 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H]1CCOC1)O2 587408002 GGXIQTYJDPZVPP-ZBEGNZNMSA-N 275.348 2.728 0 1 CFAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cccc(F)c2[nH]1 587094189 MGEKYMCRTCIATP-ZCFIWIBFSA-N 289.232 2.832 0 1 CFAF COc1c(F)ccc(F)c1-c1nc2cnc(Cl)[nH]c-2n1 587132327 AZQIIMMMJFALAF-UHFFFAOYSA-N 296.664 2.912 0 1 CFAF Cc1ccc([C@@]2(CO)CC(=O)c3cc(C)cc(N)c3O2)cc1 587404413 PUYWKAGMQZHMBL-SFHVURJKSA-N 297.354 2.739 0 1 CFAF CCOC(=O)c1ccc2nc([C@@](C)(O)C(C)C)[nH]c2c1 586886814 GVCLDEAVZKUVKW-HNNXBMFYSA-N 276.336 2.603 0 1 CFAF COc1cc(F)ccc1[C@H]1NCCc2nc3ccccn3c21 962984606 NEWLKWHZZLJOIP-MRXNPFEDSA-N 297.333 2.717 0 1 CFAF C[C@@H](N=O)[C@@]1(c2ccccc2)NCCc2ccc(O)cc21 963352622 MQDWWYYGDUUDDM-PXAZEXFGSA-N 282.343 2.936 0 1 CFAF O=C1Nc2ccc(OCc3ccc(F)cc3)cc2C1=O 1857567525 LXSPQCBMRKHBMQ-UHFFFAOYSA-N 271.247 2.540 0 1 CFAF COc1ccc2oc(=O)c(-c3ccc(Cl)nn3)cc2c1 1857640803 NBKYJMDVRSXEOW-UHFFFAOYSA-N 288.690 2.912 0 1 CFAF COCO[C@@H]1C=CCCCCC(=O)[C@@H](C)C#CC1 1636340 MZBINVXLODRUGH-UONOGXRCSA-N 250.338 2.704 0 1 CFAF CCC(CC)n1c(O)nc2ncc(C(F)(F)F)nc21 114952770 TUPQQYNBJJLKFQ-UHFFFAOYSA-N 274.246 2.912 0 1 CFAF CC(C)(O)c1cncc(-n2ncc3cc(F)ccc32)c1 1772588069 OHSOVCDFCFAJFE-UHFFFAOYSA-N 271.295 2.787 0 1 CFAF CCc1cc(NCc2ccccc2F)c(=O)[nH]c1C 5887277 CVRFXFQKHFJKTF-UHFFFAOYSA-N 260.312 2.997 0 1 CFAF O=C1C[C@@H](c2ccc(O)cc2O)Oc2cc(O)ccc21 14806202 JBQATDIMBVLPRB-HNNXBMFYSA-N 272.256 2.510 0 1 CFAF O=C(O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@H]2OCC[C@@H]12 15952394 IDLFKXPQOUGXNN-SWPVVBRQSA-N 287.237 2.662 0 1 CFAF Cc1cc2ccccc2n1CCNC(=O)c1ccc(N)cc1 169351777 ZGWDCBVRJUILFO-UHFFFAOYSA-N 293.370 2.962 0 1 CFAF O=C1N=C2c3ccccc3C(=O)[C@H]2[C@@H](c2ccccc2)N1 169687878 HMIKVFWMLSWMFQ-UONOGXRCSA-N 276.295 2.753 0 1 CFAF C/C1=C\[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C/C(C)=C/CC1 165688960 TXSIFZZILWRCIY-QMPNBSENSA-N 250.338 2.602 0 1 CFAF Oc1ccc(CNC[C@@H]2CCc3ccc(O)cc3O2)cc1 13775975 COAJRUUAHDYFLT-INIZCTEOSA-N 285.343 2.581 0 1 CFAF CCOC(=O)C1(c2ccccc2)CCN(CC(F)F)CC1 28093870 BJXVQWRHXIMRJD-UHFFFAOYSA-N 297.345 2.848 0 1 CFAF Cc1ccc2c(c1)NC[C@H](C(=O)NC1CCCCC1)O2 261370 RSVYCYKAQDJDOD-OAHLLOKOSA-N 274.364 2.617 0 3 CFAF CCCOc1ccccc1-c1nc2cnccc2c(=O)[nH]1 3800960 LBHWDADZGQNNLF-UHFFFAOYSA-N 281.315 2.774 0 1 CFAF C[n+]1ccc2c(c1)[nH]c1cc(Br)c(O)cc12 3870825 VAXRKCUOOXJMND-UHFFFAOYSA-O 278.129 2.614 0 1 CFAF CC[C@H](C)NC(=O)c1nn(C)c2c1COc1ccccc1-2 6817452 UXVRTIJGMGVCDL-JTQLQIEISA-N 285.347 2.508 0 1 CFAF COc1ccc2c(c1)O[C@@H](c1ccccn1)CC2=O 103175445 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MKGXZIOEJFINAD-UHFFFAOYSA-N 290.326 2.960 0 1 CFAF COc1ccc(C(=O)Nc2ccncc2)c2cccnc12 22966 PSQNNZKJTGBRKR-UHFFFAOYSA-N 279.299 2.891 0 1 CFAF C[C@@H](C(=O)O)c1ccc2c(c1)C(=O)c1ccccc1CO2 2002427 BUQVRUQZFSMMIL-SNVBAGLBSA-N 282.295 2.998 0 1 CFAF CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)c1ccc(Cl)nc1)C2 100075352 BYQOCFCSNFKBIX-ZSBIGDGJSA-N 280.755 2.517 0 1 CFAF COC(=O)C[C@@H]1[C@H](Cc2ccccc2)C[C@H]2CC[C@H]1N2C 100800656 ANHMPRQCQIOCSZ-QBPKDAKJSA-N 287.403 2.891 0 1 CFAF C[C@H](CN1CCCC1)Oc1cccc2ccc(N)nc12 28390406 VYWGUEOIYCTONK-GFCCVEGCSA-N 271.364 2.680 0 1 CFAF COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc2occc2c1 114426943 PQPZOEGINCGGLI-CYBMUJFWSA-N 289.331 2.750 0 1 CFAF CCCCCC=C[C@@H](C)CCOS(=O)(=O)O 2356852166 QNUMXENJPAUAPZ-LLVKDONJSA-N 250.360 2.969 0 1 CFAF NCC[C@H]1COC(c2ccccc2)(c2ccccc2)O1 38877731 IOXXSJVNYGNFLD-INIZCTEOSA-N 269.344 2.652 0 1 CFAF CC(=O)c1c(NNc2ccccc2)cc(C)oc1=O 82152219 ISTSGWCCNRBFNF-UHFFFAOYSA-N 258.277 2.590 0 1 CFAF CC(C)N1CCCC[C@H]1c1nc2c(C(N)=O)cccc2[nH]1 40980943 PMXTWIFCBHVUJP-ZDUSSCGKSA-N 286.379 2.597 0 1 CFAF CN1CC[C@@H]2CN[C@H](c3ccccc3Br)C[C@@H]21 95599985 OYDHKFCTNSZUCX-SWHYSGLUSA-N 295.224 2.804 0 3 CFAF Cc1cccc(Nc2ncnc3cc4c(cc23)OCCO4)n1 96914122 CMCZZLOOJOILAO-UHFFFAOYSA-N 294.314 2.848 0 1 CFAF CC[C@H](C)CNc1nc(N2C[C@H](C)O[C@@H](C)C2)ncc1C 299876723 GEKUNPCPDHDKGG-UBHSHLNASA-N 292.427 2.857 0 1 CFAF CCC[C@@H]1CN(CC(C)C)C(=O)c2cccnc2O1 299852729 WTLWWADJOAIJDZ-GFCCVEGCSA-N 262.353 2.741 0 1 CFAF COc1nccc2nc(/C=C\c3ccccc3C(=O)O)[nH]c12 586880508 QWXQYOCCJDRBKE-SREVYHEPSA-N 295.298 2.835 0 1 CFAF COc1ccc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c2c1 587249913 RVJOOWKRCMJPLQ-UHFFFAOYSA-N 283.287 2.519 0 1 CFAF Cc1nccc2[nH]c(CSc3nnc(S)s3)nc12 587026043 UCNQPXFYMUBGGC-UHFFFAOYSA-N 295.418 2.699 0 1 CFAF Cc1cncc2nc(C[C@H]3CCc4occc4C3=O)[nH]c12 586907006 IMJZQCYDGYAJDA-SNVBAGLBSA-N 281.315 2.847 0 1 CFAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cnccc2[nH]1 587163341 KNDAHNCXCSKZMR-AWEZNQCLSA-N 270.311 2.748 0 1 CFAF C=Cn1ncc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587433190 WCGSPOBFDLHUGP-SJKOYZFVSA-N 296.326 2.789 0 1 CFAF NC(=O)N1CCCc2cc(-c3cncc(C4CC4)c3)cnc21 1772576394 RXEUYAAESVUAEH-UHFFFAOYSA-N 294.358 2.852 0 1 CFAF Cc1cc2nc(N3CCNCC3)c3cccn3c2cc1C 13801462 IDBBARVASJLGSI-UHFFFAOYSA-N 280.375 2.514 0 1 CFAF Cc1c(O)ccc2oc(=O)c3c(c12)O[C@@H](C)C3(C)C 15257724 SWHQTQFJVVJCQA-QMMMGPOBSA-N 260.289 2.866 0 1 CFAF CN1[C@H](c2ccccc2)CC(=O)[C@@H](N)[C@@H]1c1ccccc1 19364848 HPNXAOJGCPUSLE-JQHSSLGASA-N 280.371 2.701 0 1 CFAF CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ccnc21 13821000 JZTWTHJFDIWAKD-YPMHNXCESA-N 276.384 2.906 0 1 CFAF COc1cc(CCC2=NC(=S)N=N2)cc(OC)c1OC 103202012 RWYFBWSJPRTGIN-UHFFFAOYSA-N 293.348 2.794 0 1 CFAF C[C@H]1CNC(=O)c2[nH]c3ccc(Br)cc3c21 28901794 LDWIDZHFSJLHDY-LURJTMIESA-N 279.137 2.777 0 1 CFAF O=C(NCc1cccc(F)c1)c1cc2cc(O)ccc2[nH]1 27527300 AVZMFSNJXNXKRU-UHFFFAOYSA-N 284.290 2.943 0 1 CFAF Cn1nc(-c2cc3ccccc3s2)c2c(N)ncnc21 64479816 XWPGTERWQLQPCG-UHFFFAOYSA-N 281.344 2.827 0 1 CFAF O=C1NN=C(c2ccc(-n3ccnc3)cc2)[C@@H]2CCCC[C@H]12 29210493 FXPSDQOKDIWBGU-CABCVRRESA-N 294.358 2.513 0 1 CFAF COc1cc(O)c(C(=O)[C@H](C)c2ccc(O)cc2)cc1O 64573074 OGDNZXXXJSBGRM-SECBINFHSA-N 288.299 2.798 0 1 CFAF C[C@@H]1NC(NCC(F)F)=Nc2cccc(Cl)c21 29130610 JDPGHZDOBUGUDU-LURJTMIESA-N 259.687 2.846 0 1 CFAF COc1nc2c(Cl)ncnc2n1[C@@H]1C[C@H]2CC[C@@H]1C2 72110918 RUYRJVSQYXMJTD-DJLDLDEBSA-N 278.743 2.849 0 1 CFAF O=C(O)CNC(=O)CCCCCCCc1ccccc1 40873053 FQDMHYQDQDZJLR-UHFFFAOYSA-N 277.364 2.771 0 1 CFAF CC[C@H](C)Nc1nc(N2C[C@H](C)O[C@H](C)C2)ncc1C 82202918 GKZNSXCMUFMPLV-RWMBFGLXSA-N 278.400 2.609 0 1 CFAF Cc1[nH]nc2c1[C@H](c1cccc(C(F)(F)F)c1)NC2=O 199731543 JNMXEMDDDIRWJJ-JTQLQIEISA-N 281.237 2.570 0 3 CFAF CCOP(=O)(CC(=O)Nc1cccc(O)c1)OCC 96907969 RAYYAQPAZGFTIR-UHFFFAOYSA-N 287.252 2.597 0 1 CFAF COc1ccc(CN2C(=O)c3ccc(C)cc3C2=O)cc1 299867058 PTCDANKRMHTDCO-UHFFFAOYSA-N 281.311 2.800 0 1 CFAF Cc1cccc(N2C(=O)N/C(=C\c3ccc(O)cc3)C2=O)c1 653804905 JXXOHDMPYCNLJL-GDNBJRDFSA-N 294.310 2.798 0 1 CFAF Nc1ncnc2[nH]c(C3(Cc4ccc(Cl)cc4)CC3)nc12 587073460 JGESKGOJRSXOGM-UHFFFAOYSA-N 299.765 2.863 0 1 CFAF Cc1nccc2[nH]c([C@H](C)n3cc(Cl)cn3)nc12 587081578 CPNHLGYUPRUYLJ-QMMMGPOBSA-N 261.716 2.726 0 1 CFAF C[C@]1(c2nc3cccnc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173776 JCTJPTSBGNXCBW-MRXNPFEDSA-N 297.289 2.725 0 1 CFAF Clc1ncc(-c2nc3cncc(Cl)c3[nH]2)cn1 587085689 AZYBROVZUUXOLP-UHFFFAOYSA-N 266.091 2.722 0 1 CFAF N[C@H](Cc1cscn1)c1nc2ccc(F)c(F)c2[nH]1 587029190 KOOXFLKPRKDTRB-MRVPVSSYSA-N 280.303 2.540 0 1 CFAF CC(C)(C)c1ccc2nc(Cc3ccc(=N)[nH]c3)[nH]c2n1 587255120 YMHUDIRLNKJVCP-UHFFFAOYSA-N 281.363 2.654 0 1 CFAF CCOCCOCc1nc2cc(F)c(F)c(F)c2[nH]1 587777792 CMDWRSLJVPGAFT-UHFFFAOYSA-N 274.242 2.533 0 1 CFAF N=c1cc(-c2nc3c(Cl)ncnc3[nH]2)c2ccccc2[nH]1 587253131 AFAKEQVMIYYJIS-UHFFFAOYSA-N 296.721 2.634 0 1 CFAF Cc1cc2[nH]c(-c3cnc(Cl)nc3)nc2c(C)n1 587086144 UMGUJIVTMIXXAH-UHFFFAOYSA-N 259.700 2.685 0 1 CFAF CCCCCc1cc2c(O)nc(O)nc2nc1CC 587560556 DMLIIBFMUQLXSD-UHFFFAOYSA-N 261.325 2.731 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cn1cccn1)(C(C)C)O2 587390709 HUSOOENNJPYWES-KRWDZBQOSA-N 299.374 2.834 0 1 CFAF COC(C)(OC)[C@H]1NCCc2c1sc(C)c2C 963007279 HUFYOSGMCXZGIE-LBPRGKRZSA-N 255.383 2.561 0 1 CFAF CCOC(=O)c1c(-c2ccncc2)nn2ccccc12 1772572459 ZOXIXPNXCNHVID-UHFFFAOYSA-N 267.288 2.573 0 1 CFAF O[C@]1(c2cccc(Cl)c2)c2ccccc2C2=NCCCN21 13760571 ZTSMFSRRQVVDJN-QGZVFWFLSA-N 298.773 2.999 0 1 CFAF CCOC1=N/C(=C(\C)Cl)c2ccccc2[C@@H](C(=O)O)N1 13763381 IMVHJSFNICKILG-OBIHZWKSSA-N 294.738 2.735 0 3 CFAF C[C@@H]1Cc2nc(S)nc(O)c2[C@H](c2ccc(F)cc2)O1 169303243 VRLWNVRYZPMCNG-KRTXAFLBSA-N 292.335 2.661 0 3 CFAF C[C@H]1C[C@]23CCN(C)[C@H](Cc4ccccc42)[C@@]3(C)O1 169316857 XAGLFILTPKTXGZ-WBQNTZJQSA-N 257.377 2.752 0 1 CFAF COc1ccccc1[C@H]1CC(c2ccccc2)=NN1C(=N)N 1857761626 LJLLTQNLWPDNNO-OAHLLOKOSA-N 294.358 2.740 0 1 CFAF CC(=O)c1cccc2c1S(=O)(=O)c1ccccc1O2 16263 UALGAWZECPBKOD-UHFFFAOYSA-N 274.297 2.828 0 1 CFAF Nc1nc(Nc2cc(Cl)cc(Cl)c2)nc2[nH]cnc12 3590296 QAYWNNKVCPTPMF-UHFFFAOYSA-N 295.133 2.986 0 1 CFAF C[C@@H]1C=C(c2ccc(Br)cc2)C(=O)O1 3654469 RRKMOJGORKNBGP-SSDOTTSWSA-N 253.095 2.778 0 1 CFAF COC(=O)[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccsc1 100969854 SLCCHPKEJRCPRS-QFGBMDHOSA-N 289.400 2.787 0 1 CFAF O=C1OC[C@H]2CCN(CC3CC3)Cc3ccc(F)cc3N12 2356290157 KOCHIDJGKSMNDH-CQSZACIVSA-N 290.338 2.767 0 1 CFAF CN1CC[C@@]2(C1)Oc1ccccc1[C@@H]2n1cccc1 29315451 WMBAOQGKEFYPIH-HOTGVXAUSA-N 254.333 2.544 0 1 CFAF C[C@@H](CC1=C(C(=O)O)COC1=O)C1=CCC(C)(C)C1 2356640103 OZQQHYHARGIDIF-VIFPVBQESA-N 264.321 2.697 0 1 CFAF CCNC[C@H]1COC2(CCC(C(C)(C)C)CC2)O1 2356810032 AUYSPPNVFQBFHX-OWYJLGKBSA-N 255.402 2.944 0 1 CFAF CC(C)Cc1cc(CC2(NCc3ccco3)COC2)no1 67898217 IRPVEXUWBCUCSZ-UHFFFAOYSA-N 290.363 2.567 0 1 CFAF CC(C)[C@H]1CC(=O)c2cc([C@H](C)C(=O)O)ccc2O1 72283566 IMEPSBLHFMECET-LKFCYVNXSA-N 262.305 2.865 0 1 CFAF CCc1cc(Cn2nc(C(=O)O)cc2-c2ccccc2)on1 36384175 DOTQEWZMWSSHNR-UHFFFAOYSA-N 297.314 2.847 0 3 CFAF CC(C)C[C@]1(C)C(=O)N=C(N)N1Cc1cccc(Cl)c1 45259597 DISHKUFACYEJAW-OAHLLOKOSA-N 293.798 2.802 0 1 CFAF CC(C)Oc1cccc(NC(=O)c2ccn3ccnc3n2)c1 82083966 UVEUSSKBZKLXLG-UHFFFAOYSA-N 296.330 2.769 0 1 CFAF CC(C)=C[C@H]1[C@@H](COC(=O)[C@H](O)C(C)C)C1(C)C 230854093 LMUFVISGPNZNCI-YNEHKIRRSA-N 254.370 2.785 0 1 CFAF O=C(Nc1nc2ccc(O)cc2s1)c1cccc(O)c1 95553390 XGCKLYXJNJVNJZ-UHFFFAOYSA-N 286.312 2.960 0 1 CFAF OCCCNCc1ccc2[nH]c3c(c2c1)CCCC3 621477659 GJYTWGSKLPEYAZ-UHFFFAOYSA-N 258.365 2.519 0 1 CFAF CCOC(=O)c1c2nc3ccccc3c-2c(OC)cn1C 377407362 PBAMKUWXFCLEPW-UHFFFAOYSA-N 284.315 2.863 0 1 CFAF CNc1nc2cc(C)ccc2n2c(Br)cnc12 653739218 CRFGWSWCYHURHB-UHFFFAOYSA-N 291.152 2.995 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cccc(N)c31)O2 587388583 FAUXTYBXZTUNHS-GOSISDBHSA-N 294.354 2.966 0 1 CFAF Cc1ccnc2[nH]c([C@@]3(N)C[C@@H]3c3ccccc3F)nc12 587154661 FVUWKXXEBRSZSD-BDJLRTHQSA-N 282.322 2.747 0 1 CFAF C[C@@H](O)Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586890622 LGGUSNBTYVNEMR-RXMQYKEDSA-N 262.206 2.644 0 1 CFAF CC[C@]1([C@@H]2CCCNC2)CC(=O)c2cc(C)cc(N)c2O1 587399351 IKFVNJMVUMHRCI-SJKOYZFVSA-N 288.391 2.691 0 1 CFAF CC(C)Oc1ccc2nc([C@@H](N)[C@H](C)F)[nH]c2c1 587122539 FBWUNFXFJVMPCW-UFBFGSQYSA-N 251.305 2.708 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1[nH]nc3ncccc13)O2 587396379 JYIKRRIPZZRALI-CYBMUJFWSA-N 294.314 2.555 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc3[nH]cncc1-3)O2 587396897 QZGUSHGUIDTUAL-AWEZNQCLSA-N 294.314 2.507 0 1 CFAF COc1cc2ncc(OC3CCCC3)nc2cc1OC 13538800 CSLYLUOENYVUID-UHFFFAOYSA-N 274.320 2.968 0 1 CFAF C[C@@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)NCC[C@@]43C)[C@@H]1CC[C@@H]2O 169311228 HSMQDJJGFZMMRG-DVFWUTNRSA-N 291.435 2.726 0 1 CFAF NCc1cc(=O)c2cccc(OCc3ccccc3)c2o1 1857562518 CKFVOCQESJABIV-UHFFFAOYSA-N 281.311 2.831 0 1 CFAF CCCCC(=O)[C@@H]1CCCN1C(=O)C(=O)C(C)(C)CC 13475357 OASVPLXLSUCYOV-LBPRGKRZSA-N 281.396 2.742 0 1 CFAF COc1ccc(-c2ccncc2)c2ccc(=O)[nH]c12 26481852 ACHYFYBARVXMQE-UHFFFAOYSA-N 252.273 2.599 0 1 CFAF C[C@]12CC[C@@H]3c4ccccc4CC[C@H]3[C@@H]1C[C@@H](O)[C@H]2O 26740438 RPVGDPSDDWBUMB-PNVOZDDCSA-N 272.388 2.874 0 1 CFAF COC(=O)Oc1c(Br)c(=O)oc2ccccc12 270858 MNIXGMBBZGJXPJ-UHFFFAOYSA-N 299.076 2.701 0 3 CFAF CCO[C@@H](C)c1c(OC)cc2c(c1O)C(=O)CC[C@H]2O 2356596482 LZCGYNOACMSXSZ-WCBMZHEXSA-N 280.320 2.508 0 1 CFAF COc1ccc2c(c1)O[C@@H]1[C@@H]3C=C[C@H](OC)C=C3OC[C@H]21 2356653052 YVFBXUBMCJCKQZ-NBCLGQJJSA-N 286.327 2.655 0 1 CFAF CC[C@@H]1C=C(C(=O)NCC(C)C)[C@H]2CCC(=O)[C@H]2C1 2356827774 IPJCJXBAPHPSRU-AVGNSLFASA-N 263.381 2.710 0 1 CFAF CCCN[C@@H]1Cc2c[nH]nc2C[C@H]1CCCSC 26404791 UMPBUWZXRKUTFZ-DGCLKSJQSA-N 267.442 2.636 0 1 CFAF CN1CCc2cc3c(c4c2[C@@H]1[C@@H](O)c1ccccc1-4)OCO3 1866278 NVMGTUCOAQKLLO-SJORKVTESA-N 295.338 2.658 0 1 CFAF biogenic O=C1N[C@@H]2CCCC[C@@H]2[C@@H](c2ccccc2)[C@H]1n1ccnc1 618016531 WIRBMZKFZWCBIC-YLFCFFPRSA-N 295.386 2.897 0 1 CFAF CS(=O)(=O)c1cc(-c2ccccc2)c2cn[nH]c2c1 653847554 WSQQTUKKGLYHCD-UHFFFAOYSA-N 272.329 2.633 0 1 CFAF CCCc1c(O)ccc2c1O[C@]1(CCNC[C@@H]1C)CC2=O 587485630 PTQZSZJTJBGFAH-APPDUMDISA-N 289.375 2.678 0 1 CFAF COc1c(F)ccc(F)c1-c1nc2cc(N)c(N)cc2[nH]1 587132701 JTIIQYOUUXMCKL-UHFFFAOYSA-N 290.273 2.681 0 1 CFAF OCCc1ccc2nc(CCc3cccc(O)c3)[nH]c2c1 586896331 PXNFVCUZYXTZLS-UHFFFAOYSA-N 282.343 2.589 0 1 CFAF c1ccc(C[C@H]2N[C@@H](c3nc4cnccc4[nH]3)CS2)cc1 587040503 HPTARBGKCVBNIK-CABCVRRESA-N 296.399 2.904 0 1 CFAF C[C@@H]1CC(C)(C)Cc2nc3nc(O)nc(O)c3cc21 587561765 KQUILFKZRQWGDL-SSDOTTSWSA-N 259.309 2.512 0 1 CFAF CC(=O)N[C@H]1CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587511689 MXSLDFXVCQQBLS-FUHWJXTLSA-N 299.370 2.568 0 1 CFAF C=C1Nc2scc(-c3ccc(C)cc3)c2C(=O)N1N 958054826 GANHWKMKCYNXHJ-UHFFFAOYSA-N 271.345 2.936 0 1 CFAF O=C(O)c1nccc(-c2ccc(F)c(C(F)(F)F)c2)n1 1772617574 HQLQDFCZUHBOTF-UHFFFAOYSA-N 286.184 3.000 0 1 CFAF CSc1n[nH]c(N)c1-c1nc2ccccc2s1 5687054 ZSBIPVAWJYVRQH-UHFFFAOYSA-N 262.363 2.991 0 1 CFAF CCCCCC[C@@]1(O)OC(=O)c2c(O)cccc21 5820515 VZZYFXFREWNSCJ-CQSZACIVSA-N 250.294 2.678 0 1 CFAF C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O 11592605 PROQIPRRNZUXQM-OXODIDRGSA-N 288.387 2.580 0 1 CFAF CC(=O)O[C@H]1[C@@H]2CC[C@H](N3CCCCC3)[C@H]1CC2 12655492 WAAWXHBKTWLHRM-XGUBFFRZSA-N 251.370 2.593 0 1 CFAF CN1C=C(c2ccccc2)[C@H](c2ccccc2)[C@H](O)C1=O 13461652 INMHUVDZWKKAOF-IRXDYDNUSA-N 279.339 2.644 0 1 CFAF endogenous,in-man c1ccc2c3c(c(OCC4CCNCC4)nc2c1)CCCN3 13492883 MVNLXXVXACJIPN-UHFFFAOYSA-N 297.402 2.971 0 1 CFAF Cc1n[nH]c(C)c1CCN(C)CC1(C(F)(F)F)CC1 19811701 IPZGYLAMNGFRPQ-UHFFFAOYSA-N 275.318 2.843 0 1 CFAF COc1ccc2c(c1)[C@@H]1C[C@@H](OC)C=C3CCN(CC2)[C@H]31 306120833 UYXQAPQPXZLQHR-RYQLBKOJSA-N 285.387 2.754 0 1 CFAF CCCN(CCCOC)[C@@H]1CCc2c(O)cccc2C1 27998095 KXTQRCSQTQPYMU-OAHLLOKOSA-N 277.408 2.998 0 1 CFAF CCN(CC)c1nc(N(C)C)c2ccc(OC)cc2n1 1865048 CGANYSBFNIVCGY-UHFFFAOYSA-N 274.368 2.551 0 1 CFAF Oc1ccc(Cl)cc1C1=CC(C(F)(F)F)=NCCN1 2474902 OSXYXGGDABXXFJ-UHFFFAOYSA-N 290.672 2.993 0 1 CFAF O=c1cc(-c2ccncc2)nc(CCc2ccccc2)[nH]1 103245682 WODDOSVIBKSJFC-UHFFFAOYSA-N 277.327 2.617 0 1 CFAF N=c1oc2c(O)cccc2cc1C(=O)Nc1ccccc1O 26492016 WIYFOXUBRAXFFZ-UHFFFAOYSA-N 296.282 2.576 0 1 CFAF O=P(O)(O)C(F)(F)c1cc(O)c2ccccc2c1 27103237 OXRCHIORMFIMPY-UHFFFAOYSA-N 274.159 2.772 0 1 CFAF CCc1ccc([C@@H]2C[C@@H]3CC[C@@H]([C@@H]2C(=O)OC)N3C)cc1 100779795 UAMCGXVVAUEEEU-LUKYLMHMSA-N 287.403 2.988 0 1 CFAF CCOC(=O)[C@@H](NC(=O)/C=C/c1ccccc1)[C@@H](C)CC 103194690 YTLDYJJQHDWADP-XPMIASGBSA-N 289.375 2.794 0 1 CFAF C[C@@]12N[C@H](Cc3ccc(CO)cc31)c1ccccc12 100649121 MGHQMHINCTWWNB-SJORKVTESA-N 251.329 2.643 0 1 CFAF CC=C[C@@H]1Nn2c(nnc2-c2ccc(OC)cc2)S1 2356442394 AOVNSEPYBQUMEN-LLVKDONJSA-N 274.349 2.505 0 1 CFAF CCC1=C[C@](CC)(C[C@H](CC)[C@@H](O)[C@H](O)CC)OC1=O 2356524370 BDLUQCFNXXOLMR-DCDXPUDHSA-N 284.396 2.577 0 1 CFAF CCCN1CCC[C@@H]2Cc3c(O)cc(O)cc3C[C@H]21 29565913 YQYXIWQWHQVJME-IAQYHMDHSA-N 261.365 2.687 0 1 CFAF Cn1nc2c3ccccc3n(Cc3ccccc3)cc-2c1=O 26578875 WEDAYNHQXDYPAC-UHFFFAOYSA-N 289.338 2.888 0 1 CFAF CC1=CCCC(CO)=C[C@@H]2OC(=O)[C@H](C)[C@@H]2CC1 2356745194 JWJOVYZAXACWBK-XBFCOCLRSA-N 250.338 2.603 0 1 CFAF Cc1cc(Nc2cc(F)c(F)cc2F)n2ncnc2n1 40380088 QVZLDGQCTHYKHH-UHFFFAOYSA-N 279.225 2.594 0 1 CFAF CCOCCn1c([C@@H]2CCCN(C)C2)nc2ccccc21 49071915 VWKIIEUSSJXADS-CQSZACIVSA-N 287.407 2.882 0 1 CFAF COc1ccc(C2=[N+]([O-])c3ccc(OC)cc3C2=O)c(C)c1 45261703 AVQXNBOSNNWRBA-UHFFFAOYSA-N 297.310 2.840 0 1 CFAF COc1cccc2[nH]c(-c3ccc4c(c3)OCO4)cc(=O)c12 49055750 RPFMBGZWLUNCHW-UHFFFAOYSA-N 295.294 2.932 0 1 CFAF COc1cc([C@@H](C)N2CCCC2)ccc1OC(=O)N(C)C 299834563 ZAKCDAWJOGMECL-GFCCVEGCSA-N 292.379 2.912 0 1 CFAF C[C@]1([C@@H]2CCNC2)CC(=O)c2ccc3c(c2O1)CCCC3 587523221 HLVBJVLNVFJBQN-FZKQIMNGSA-N 285.387 2.899 0 1 CFAF N[C@@H](c1ccsc1)c1nc2cncc(Cl)c2[nH]1 587026064 UGXNXUIIGHBHIV-VIFPVBQESA-N 264.741 2.721 0 1 CFAF CCCc1c(O)ccc2c1OC1(CCN(C)CC1)CC2=O 587474322 GHPSCRZAXYNHOE-UHFFFAOYSA-N 289.375 2.774 0 1 CFAF COc1cc2nc(CC[C@@H](C)CC(=O)O)[nH]c2cc1C 587963383 UUAZXHSHBJJNLJ-SECBINFHSA-N 276.336 2.923 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3cncn13)O2 587394271 SILYBKCVOBUYLD-INIZCTEOSA-N 293.326 2.931 0 1 CFAF N=C(N)c1ccc2nc(C3(c4ccccc4O)CC3)[nH]c2c1 586897257 XBKJUXAFDNDJJO-UHFFFAOYSA-N 292.342 2.632 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C)[C@@H](C)C1=O)O2 587405967 OPKABLJHIRDGBN-LYGAQUJYSA-N 273.332 2.526 0 1 CFAF O=C1C[C@H](c2ccc(O)nn2)Oc2c1ccc1c2CCCC1 587525037 LRTXQEIQRONMNC-OAHLLOKOSA-N 296.326 2.768 0 1 CFAF COc1cc(OC)c2[nH]c(CC(C)(C)CC(=O)O)nc2c1 587954924 DKFYWHOIRRUGGZ-UHFFFAOYSA-N 292.335 2.624 0 1 CFAF C[C@H](F)[C@H](N)c1nc2ccc(Br)cc2[nH]1 587122146 BKFKAHCGVHXXIN-CDUCUWFYSA-N 272.121 2.683 0 1 CFAF COc1ccc(C=O)c2cc(-c3nc4ncc[nH]c-4n3)oc12 586902627 AVGPWEGTMHKXGM-UHFFFAOYSA-N 294.270 2.539 0 1 CFAF Cc1ccc(CNc2ncnc(Cl)c2/C=N/O)cc1 205645055 DUDTWMFZGFSWJB-CNHKJKLMSA-N 276.727 2.859 0 1 CFAF Cc1ccc(NC(=O)N2CCCc3ccc(C=O)nc32)nc1 1772578812 SKSSJUPWCRCSHD-UHFFFAOYSA-N 296.330 2.582 0 1 CFAF COc1cccc2ccn(SC(=S)N(C)C)c12 1857574722 MMCPRQNYFGPHFU-UHFFFAOYSA-N 266.391 2.993 0 1 CFAF Oc1cccc(CCc2cc(O)c3c(c2)OCO3)c1 14505358 CGYGMPSQQYLQJF-UHFFFAOYSA-N 258.273 2.612 0 1 CFAF COC(=O)[C@H]1[C@@H](Cc2ccccc2)C[C@@H]2CC[C@@H]1N2C 169340216 YHWZJYKIOUHJGH-VGWMRTNUSA-N 273.376 2.501 0 1 CFAF Oc1cc(O)n2ncc(-c3cccc4ccccc34)c2n1 169345697 ROYOHVTXBIPYES-UHFFFAOYSA-N 277.283 2.961 0 1 CFAF CN(Cc1ccco1)c1ncncc1-c1cccnc1 4258349 FDQXCHAYMWVCHH-UHFFFAOYSA-N 266.304 2.768 0 1 CFAF O=C1NN=C(c2ccc(-n3ccnc3)cc2)[C@@H]2CCCC[C@@H]12 29210503 FXPSDQOKDIWBGU-HUUCEWRRSA-N 294.358 2.513 0 1 CFAF NC1=N[C@H](c2ccc(F)cc2)Cc2ccc(F)cc21 25976297 BPKYXHOIZZBKMI-AWEZNQCLSA-N 258.271 2.968 0 1 CFAF COc1cc(=O)oc(C(C)=CC(C)=C[C@@H](C)CO)c1C 2356311425 PZUWFORRPJJCHO-LLVKDONJSA-N 278.348 2.935 0 1 CFAF CC(C)N[C@@H](C)[C@H](O)COc1cccc2occc12 28767711 ZFBWVIDHCPKVMH-WCQYABFASA-N 263.337 2.559 0 1 CFAF CCCCN(Cc1ccccc1)C(=O)c1cnc(N)o1 62242009 YTOMDNAKMPAGJB-UHFFFAOYSA-N 273.336 2.699 0 1 CFAF CC(=O)Cc1c(C=O)c(O)c(C)c(O)c1CC=C(C)C 2356718507 XQUNLROLQMPMOK-UHFFFAOYSA-N 276.332 2.859 0 1 CFAF Cc1ccc(-c2cn3c(n2)CO[C@H](CNC2CCC2)C3)cc1 2356770651 DBTCIBPBCMEOOT-MRXNPFEDSA-N 297.402 2.899 0 1 CFAF CC1=CCC[C@H](C)[C@@]1(C)CCC1=C[C@H](O)OC1=O 2356808191 YOABPNKAIQIASF-LNSITVRQSA-N 250.338 2.951 0 1 CFAF CN(C)[C@H](c1ccc(Cl)cc1)C1COCOC1 39215591 VXEPPUIMWUMTBF-CYBMUJFWSA-N 255.745 2.563 0 1 CFAF CSC1=N/C(=C/c2ccccc2)C(C)(C)C(=O)N1 33836659 RIFGLRPLDVBMPO-PKNBQFBNSA-N 260.362 2.903 0 1 CFAF Fc1ccc(O[C@@H](c2ccccc2)[C@@H]2CNCCO2)cc1 34619546 YHKBQPFPSDCUBA-IRXDYDNUSA-N 287.334 2.934 0 1 CFAF CC(C)CC[C@@H](C)NC(=O)OCCCc1c[nH]cn1 36442415 AIPXZCQJTXUFHL-GFCCVEGCSA-N 267.373 2.893 0 1 CFAF Fc1cccc(F)c1O[C@H](C1=CCCC1)[C@@H]1CNCCO1 40423704 UKCDLIWPLWMDCP-LSDHHAIUSA-N 295.329 2.811 0 1 CFAF CN1C(=O)CC[C@]2(C)c3c(c4cc(O)ccc4n3C)CC[C@@H]12 40564390 GCSABMRAHKPUAM-QAPCUYQASA-N 298.386 2.709 0 1 CFAF O=C1NC[C@H]2c3c(cccc31)CCN2Cc1ccccc1 45347794 AKZIIMCENGVIGG-INIZCTEOSA-N 278.355 2.529 0 1 CFAF COc1cc2[nH]c3c(C(C)=O)nccc3c2cc1OC 143616139 OQEYOGZVRDPHBQ-UHFFFAOYSA-N 270.288 2.936 0 1 CFAF COC(=O)C[C@@H]1[C@@H](Cc2ccccc2)C[C@H]2CC[C@H]1N2C 253643293 ANHMPRQCQIOCSZ-YLFCFFPRSA-N 287.403 2.891 0 1 CFAF C[C@@H]1Cc2cnc3[nH]nc(N)c3c2-c2ccccc21 299822759 BPVHKHPROMKWBQ-MRVPVSSYSA-N 250.305 2.867 0 1 CFAF CC(C)(C)c1cccc2nc(/C=C\S(C)(=O)=O)[nH]c12 586925096 FHFHIPKRBSDNEX-HJWRWDBZSA-N 278.377 2.876 0 1 CFAF Fc1cccc([C@@H]2C[C@@H]2c2nc3ncc[nH]c-3n2)c1 587161443 OENKBEMQVPYZOT-QWRGUYRKSA-N 254.268 2.715 0 1 CFAF Cn1cc(-c2nc3cccnc3[nH]2)c(C(F)(F)F)c1 587115604 REEVFFJDYGJCKY-UHFFFAOYSA-N 266.226 2.982 0 1 CFAF Cc1cnc2[nH]c(Cc3csc4nccn34)nc2c1 587041280 XRHUQJVWPRFGPO-UHFFFAOYSA-N 269.333 2.566 0 1 CFAF COc1cccc(C)c1-c1nc2cncc(OC)c2[nH]1 587787527 WYEWCGJNXFVIDV-UHFFFAOYSA-N 269.304 2.951 0 1 CFAF OCc1ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2c1 587087164 BKMQULHRMVRWGB-SNVBAGLBSA-N 293.317 2.805 0 1 CFAF N=C(N)c1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1 587031839 MUWXYEOEMSGFQN-UHFFFAOYSA-N 298.371 2.648 0 1 CFAF c1ncc2nc([C@H]3SCCc4sccc43)[nH]c2n1 587036904 PGCNLLQWNYUKNI-JTQLQIEISA-N 274.374 2.793 0 1 CFAF COc1cc2c(cc1C)NC(=O)/C2=C\c1cccnc1 5930836 SXDBOMRCCADVJU-QPEQYQDCSA-N 266.300 2.891 0 1 CFAF c1ccc(-c2cc(OCCCN3CCCC3)n[nH]2)cc1 13861434 APQJKPQOMASQNC-UHFFFAOYSA-N 271.364 2.941 0 1 CFAF NC1=NC[C@H](C23C[C@H]4C[C@@H](CC(c5ccccc5)(C4)C2)C3)N1 169328303 YLHMKWBHRWCNHL-YCOSEZTOSA-N 295.430 2.811 0 1 CFAF O=C(O)Cc1ccc2c(c1)[C@@H](O)Cc1cc(F)ccc1O2 26013510 IKYSNGAOZDJLNL-ZDUSSCGKSA-N 288.274 2.835 0 1 CFAF OC(c1ccco1)(c1ccco1)[C@@H]1CC2CCN1CC2 29544607 MNBVYCWQRSWSND-ZDUSSCGKSA-N 273.332 2.593 0 1 CFAF COC1=CC(=O)O[C@@H](C=Cc2ccc(OC)c(OC)c2)C1 2356429690 FISBBPCLKKQWQA-LBPRGKRZSA-N 290.315 2.563 0 1 CFAF Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1C[C@@H]2CC[C@@H]1C2 100314507 RFRGJYWVOFZOFJ-JHJVBQTASA-N 297.395 2.849 0 1 CFAF O[C@H](c1nnc(-c2ccccc2)[nH]1)[C@H]1CC=CCC1 103176429 ZUFOXHZCDSGQOI-AAEUAGOBSA-N 255.321 2.861 0 1 CFAF O=c1[nH]c2cc(CN3CCCCC3)ccc2c2c1CCCN2 118734756 SBEAUKVVGMSIBV-UHFFFAOYSA-N 297.402 2.872 0 1 CFAF O=C(Nc1c(-c2ccccc2)nc2ncccn12)C1CC1 108697032 NPXHEQOKUTYYLG-UHFFFAOYSA-N 278.315 2.745 0 3 CFAF CCCCCNc1nc(SC)nc(CCO)c1Cl 28653462 JSYODQHHCJKDLX-UHFFFAOYSA-N 289.832 2.989 0 1 CFAF CN1[C@H]2CCC[C@@H]1CC(NC(=O)N1CCc3ccccc31)C2 29558143 PFTQIGIQPHJEPV-MQVJKMGUSA-N 299.418 2.774 0 1 CFAF C[C@@]12Cc3ccccc3[C@@H](O)[C@@H](CN1)c1ccccc12 28759781 ZGIBCONJMIEMPL-JQHSSLGASA-N 265.356 2.878 0 1 CFAF NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1 63539665 XNWKXXIGSPPPBH-UHFFFAOYSA-N 287.754 2.649 0 1 CFAF CCC(NC(=O)N(C)C)(C(F)(F)F)C(F)(F)F 3189040 PPVVQAUBOUOYLF-UHFFFAOYSA-N 266.185 2.531 0 1 CFAF biogenic CC(=O)[C@@]12C[C@@]3(C)CCCN(C(=O)N[C@@H]1c1ccccc1)[C@H]23 72136055 ONTKFHSXUVMCCB-ATLSCFEFSA-N 298.386 2.901 0 1 CFAF COc1cc(COC(=O)c2ccco2)cc(OC)c1OC 84670773 UKFVHQUTABEUAQ-UHFFFAOYSA-N 292.287 2.662 0 1 CFAF COc1ccc(F)c(F)c1[C@H]1NCCc2ccc(O)cc21 96813569 HMCPQXYQNGEMQG-INIZCTEOSA-N 291.297 2.914 0 1 CFAF CCCCOc1cccc([C@H](F)CNCC(=O)N(C)C)c1 148922179 KSCUKCRDTBCWIF-OAHLLOKOSA-N 296.386 2.554 0 1 CFAF CC(/C=C/C=C(\C)[C@H](O)[C@@H](C)C(=O)O)=C\c1coc(C)n1 238761559 RVJCGWFQEPVLGJ-TWAHFNHRSA-N 291.347 2.970 0 1 CFAF CN(C)C[C@H]1Cc2c(cccc2C(F)(F)F)C1=O 299830303 WBIGJUNQJJQPOM-MRVPVSSYSA-N 257.255 2.622 0 1 CFAF COc1ccccc1-c1ccc(-n2nc(C)cc2C)nn1 653786713 UGNAXOASOOSMIV-UHFFFAOYSA-N 280.331 2.955 0 1 CFAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3nc(Cl)c[nH]c-3n1)C2 586888858 YYOGGSWKJUZELV-CIUDSAMLSA-N 288.738 2.597 0 1 CFAF O=C(O)/C=C/c1ccccc1-c1nc2cccnc2[nH]1 586880882 UEZWWMZQIGTWHN-BQYQJAHWSA-N 265.272 2.723 0 1 CFAF Oc1nc(O)c2ccc(-c3ccc(Cl)c(F)c3)nc2n1 587368212 JYFKXYNYJNFWOI-UHFFFAOYSA-N 291.669 2.896 0 1 CFAF CC[C@]1(C)C[C@H]1c1nc2c(C(=O)OC)ccnc2[nH]1 586887393 GOVISIZIDRWRQZ-LKFCYVNXSA-N 259.309 2.648 0 1 CFAF CCO/C=C(\C)[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444515 ZYWBYQVNGWJMHG-KEVMOQNWSA-N 274.316 2.752 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccn(C)c1)O2 587388943 BZBRAMMOVSCWSZ-AWEZNQCLSA-N 256.305 2.622 0 1 CFAF COc1cc2c3c(c1)O[C@@H](CCc1ccccn1)[C@@H](C2)C3=O 587436269 PCXXEDNXJNLIJH-CABCVRRESA-N 295.338 2.839 0 1 CFAF CCOC(=O)C1=CCO[C@H]1c1ccccc1Cl 1772627668 FIANBVRDXSIKAR-LBPRGKRZSA-N 252.697 2.901 0 1 CFAF CCc1cc(NCc2cc3cnccc3o2)c(=O)[nH]c1C 5847467 XQOGJKUWINKDLB-UHFFFAOYSA-N 283.331 2.999 0 1 CFAF COC(C/C=C\[C@@H](O)[C@H](C)OCc1ccccc1)OC 12477937 VQFCTNUGJJZSHM-SROOCWBTSA-N 280.364 2.518 0 3 CFAF Cc1cc2c(Nc3ccc(C)c(O)c3)ncnn2c1 13581408 BNJHLXRPLVJJDL-UHFFFAOYSA-N 254.293 2.795 0 1 CFAF NC(=O)N(O)Cc1cc(Oc2ccccc2)cs1 13762925 AAZVFXQWZITMOB-UHFFFAOYSA-N 264.306 2.810 0 1 CFAF CN1CCO[C@@](O)(c2ccc(/C=C/c3ccccc3)cc2)C1 1857750257 BNMKCGBRCPCKRC-IHHMQQGQSA-N 295.382 2.964 0 1 CFAF CCC(=O)NC1CCN(Cc2c[nH]c3ccccc23)CC1 1204043009 JVNZLYBPUGHQRD-UHFFFAOYSA-N 285.391 2.659 0 1 CFAF Cc1cc2n[nH]c(=O)n2c2cc(-c3ccco3)ccc12 58582645 PZXXJIFQPOXWJV-UHFFFAOYSA-N 265.272 2.744 0 1 CFAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccsc1)CN32 100969846 SLCCHPKEJRCPRS-XCTFSCKZSA-N 289.400 2.787 0 1 CFAF OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1 63298151 FONINLXADYUZFI-UHFFFAOYSA-N 294.358 2.586 0 1 CFAF O=C1[C@H]2CCCC[C@H]2C(=O)N1Nc1ccc(Cl)cc1 101691955 KCYHMOORWZPAGJ-TXEJJXNPSA-N 278.739 2.842 0 1 CFAF COc1ccccc1-c1cccn(Cc2[nH]cnc2C)c1=O 26991914 KNBPKPSPONVFFN-UHFFFAOYSA-N 295.342 2.604 0 1 CFAF Cn1c2c(c3ccccc31)C(=O)[C@@H](CNc1ncc[nH]1)CC2 27736518 YEZCYJKJRTTXHY-LLVKDONJSA-N 294.358 2.759 0 1 CFAF Nc1ncc([S@@](=O)c2ccc3cc(F)ccc3n2)s1 26500506 YDTQJYDDVSKIPK-LJQANCHMSA-N 293.348 2.579 0 1 CFAF COc1ccc(/C=C/c2cccc(=O)o2)cc1OC 215057508 GYNVRGRZFIAZGF-SOFGYWHQSA-N 258.273 2.827 0 1 CFAF COc1ccc2oc3c(O)nc([C@@H]4CCCN4)nc3c2c1 84668616 PSJHTNRKPOXZIN-JTQLQIEISA-N 285.303 2.515 0 1 CFAF CC(=O)c1ccc(-n2sc(Cl)cc2=O)cc1 45245989 POLSTWHTYLJSEY-UHFFFAOYSA-N 253.710 2.755 0 1 CFAF O=C1[C@@H](CCO)[C@@H](c2ccccc2)N1c1ccccc1 49036838 VIFVGEQLIJMMLU-JKSUJKDBSA-N 267.328 2.773 0 1 CFAF Cc1cc(O)c2c(c1)C[C@H]1C=C(O)C=C(O)[C@H]1C2=O 85504873 YHUOZCXVROYNPG-XPTSAGLGSA-N 258.273 2.569 0 1 CFAF biogenic,in-vitro Cc1cc2cc[nH]c2c(C(=O)Nc2ccccn2)n1 95580553 QTONKIXQNOYSPZ-UHFFFAOYSA-N 252.277 2.519 0 1 CFAF [O-][n+]1ccccc1SCc1nc2cc(Cl)ncc2[nH]1 586969921 QMKQJLFUQWMADL-UHFFFAOYSA-N 292.751 2.537 0 1 CFAF COc1ccc([C@H](O)[C@H](C)c2nc3cccnc3[nH]2)cc1 587935905 JUYSXNURBBKTBI-IINYFYTJSA-N 283.331 2.804 0 1 CFAF c1cnc2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1 587035552 SKOYMSRRORXOIS-LLVKDONJSA-N 271.345 2.876 0 1 CFAF COc1cccc2nc(-c3cnc(Cl)nc3)[nH]c12 587085736 DTESMUHUZYBROH-UHFFFAOYSA-N 260.684 2.682 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccnc(OC)c1)[C@@H](C2)C3=O 587436261 OZXQISYGLBOQHN-SJCJKPOMSA-N 297.310 2.588 0 1 CFAF CCOC(=O)c1c(-c2ccn(C)n2)[nH]c2cc(F)ccc12 587635056 CSBODYRVHGLGNJ-UHFFFAOYSA-N 287.294 2.884 0 1 CFAF CC1(C)CCC(Cc2nc3c(O)nc(O)nc3[nH]2)CC1 587959843 BCTRTSSTDFAPHZ-UHFFFAOYSA-N 276.340 2.523 0 1 CFAF CC[C@]1(c2cccc(N)c2)NCCc2c1c(C(C)C)nn2C 962918986 JLPPBHYUMJKBLY-GOSISDBHSA-N 298.434 2.925 0 1 CFAF N=[S@]1(=O)c2ccccc2C(=O)N1Cc1ccccc1 1772646287 VZOQTKQBUAJNHS-LJQANCHMSA-N 272.329 2.663 0 1 CFAF c1ccc2c(c1)CCN=C(NCc1ccc3c(c1)OCO3)N2 1772648984 GWQQAPMSNKFDFF-UHFFFAOYSA-N 295.342 2.529 0 1 CFAF Cc1nc[nH]c1CN1CCN(c2ccc(Cl)cc2)C1=O 13765783 ORQBSIDCJDMYEF-UHFFFAOYSA-N 290.754 2.814 0 1 CFAF CC(=O)O[C@@H]1CC=C(C)[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@]21C 5881428 NESWKHBGLOAXDL-YSZIICFESA-N 292.375 2.862 0 1 CFAF CC1(C)O[C@@](C)(c2nc3ccccc3[nH]2)CC[C@H]1CO 13215363 IRCXCKNENYJVPV-MEDUHNTESA-N 274.364 2.976 0 1 CFAF Cc1ccc(-c2ccccc2NCC2=NCCN2)o1 13438381 XLGXOZAAAMQPIO-UHFFFAOYSA-N 255.321 2.669 0 1 CFAF C[C@@H](Oc1ccccc1-c1cccc(N)c1)C1=NCCN1 13585600 YVSAGYHRJDVYHG-GFCCVEGCSA-N 281.359 2.705 0 1 CFAF CN(C)c1cc(-c2ccc(F)cc2)sc1C(N)=O 13686721 GPPHGSWSUHHEAN-UHFFFAOYSA-N 264.325 2.719 0 1 CFAF Cc1ccccc1-c1cnnc(NC[C@H]2CCCCO2)n1 14966427 ZUEWTDIYXLQCME-CYBMUJFWSA-N 284.363 2.828 0 1 CFAF CC1(C)CN=C(c2cccc(Cc3c[nH]cn3)c2)OC1 14979095 ZPBNADIRZNHTBQ-UHFFFAOYSA-N 269.348 2.804 0 1 CFAF CC/C(=C\c1cc(Cl)ccc1OCC(=O)O)[N+](=O)[O-] 169340558 AMWKZMZIXDDMNG-UXBLZVDNSA-N 285.683 2.831 0 1 CFAF CC(C)(C)c1cc(NC(N)=O)n(-c2ccccc2)n1 13474642 RDJZUHCXQSKIBK-UHFFFAOYSA-N 258.325 2.660 0 1 CFAF Nc1c(C(=O)CCC(=O)O)cccc1C(=O)c1ccccc1 9767 OWQAYSXAWAAZBH-UHFFFAOYSA-N 297.310 2.547 0 1 CFAF COc1cc([S@@](C)=O)c(OC)c2ccccc12 2356325468 XSMOSYUKLPYTRX-QGZVFWFLSA-N 250.319 2.594 0 1 CFAF CC(C)[C@@H]1CC[C@H](CO)c2c(O)cc(C(=O)O)cc21 2356326563 YJDRZMWDCQFTOS-KOLCDFICSA-N 264.321 2.700 0 1 CFAF COC(=O)c1ccc2c(c1)S[C@@H]1C(=O)CCCC1=N2 6492381 YDPBCQQIPGCGPO-ZDUSSCGKSA-N 275.329 2.773 0 1 CFAF O=C1Oc2ccc(O)cc2C1=Cc1ccc(O)cc1 2356377868 OBAXSLNBFZJCNP-UHFFFAOYSA-N 254.241 2.557 0 1 CFAF CCCCC[C@@]1(c2ccc(N)cc2)CCC(=O)NC1=O 28766102 VFLOMQQDKBQIOE-INIZCTEOSA-N 274.364 2.524 0 1 CFAF in-vivo CC(C)N(C)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3 118734148 BDUYHHKYVSSNJH-UHFFFAOYSA-N 285.391 2.726 0 1 CFAF CNC(=S)N1N=C(c2ccco2)C[C@@H]1c1ccco1 28707051 SPYJCABEVGEHKF-SNVBAGLBSA-N 275.333 2.528 0 1 CFAF C=C=CCOc1ccc(/C=C/C(=O)OC)cc1OC 28705309 IHEOIJMPDMHWKQ-VQHVLOKHSA-N 260.289 2.601 0 1 CFAF CC(=O)[C@]12C[C@]3(C)CCCN(C(=O)N[C@H]1c1ccccc1)[C@H]32 38142397 ONTKFHSXUVMCCB-CIRFHOKZSA-N 298.386 2.901 0 1 CFAF O=N/C=C1/C=CC=CN1COCN1C=CC=C/C1=C\N=O 38895125 WZAFHMORPYBDOA-ZKLMZBBOSA-N 286.291 2.905 0 1 CFAF CCN1C(=O)N(C)[C@H](c2ccccc2)C(C(=O)OC)=C1C 72101869 ASDBNIZMIJSXBD-CQSZACIVSA-N 288.347 2.562 0 1 CFAF Oc1ccc(Cc2nnc3ccc(-c4ccco4)nn23)cc1 40428783 DBJXJFMUTHNNGW-UHFFFAOYSA-N 292.298 2.681 0 1 CFAF COC(=O)c1cc(Cc2ccccc2Cl)c(=O)[nH]c1C 84713018 LTXMSEHUTHUSAU-UHFFFAOYSA-N 291.734 2.714 0 1 CFAF CCOC(=O)[C@@H](C)[C@H]1NCCc2c1[nH]c1ccccc21 95556932 MGNUTJXZFFVDDU-IINYFYTJSA-N 272.348 2.554 0 1 CFAF Cc1ccc(C[C@@H]2COc3ccccc3C2)c(N)n1 91964947 HXISAGFDLLLBES-GFCCVEGCSA-N 254.333 2.766 0 1 CFAF OC[C@H]1[C@H]2c3ccccc3NC[C@H]2N1CC1CCCCC1 95894093 NRWYCJXZGYCIFM-SQNIBIBYSA-N 286.419 2.821 0 1 CFAF O=C(Oc1cccc2oc(=O)[nH]c12)c1cccc(Cl)c1 95603311 OFQRCQXYCPGQNQ-UHFFFAOYSA-N 289.674 2.994 0 1 CFAF OCc1ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 586900782 DKRREQWCYMQRPM-XJKSGUPXSA-N 280.327 2.624 0 1 CFAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(N)c(N)cc3[nH]2)cc1 586889617 MHQWBGSJRZQUMW-QFYYESIMSA-N 296.374 2.873 0 1 CFAF CC(C)(CO)[C@@H](O)c1nc2cccc(C(F)(F)F)c2[nH]1 586901501 QWUCAVZXZHXXQU-JTQLQIEISA-N 288.269 2.634 0 1 CFAF COc1cc2c3c(c1)O[C@@H]([C@@H]1CCC=CO1)[C@@H](C2)C3=O 587452583 FIZOKADSMDALQX-MQIPJXDCSA-N 272.300 2.504 0 1 CFAF C[C@H]1CCc2sc(-c3nc4c(O)ncnc4[nH]3)cc2C1 587033573 JPLJTIFHOBYQQB-ZETCQYMHSA-N 286.360 2.912 0 1 CFAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc[nH]c(=N)c2[nH]1 587169019 QGMDSTXIHDXNJH-MRVPVSSYSA-N 272.283 2.650 0 1 CFAF O=C(NC1CC1)n1nc2cc1Oc1ccc(F)cc1-2 587875623 STIUECKKRNRLKI-UHFFFAOYSA-N 259.240 2.515 0 1 CFAF N[C@@H](Cc1ccccc1Cl)c1nc2cccnc2[nH]1 587058880 KJFDESSYZCWKPV-NSHDSACASA-N 272.739 2.854 0 1 CFAF CC[C@@]1([C@@H](C)C(=O)OC)CC(=O)c2cc(C)cc(N)c2O1 587400291 QBSIAKWLVUIWTE-QFYYESIMSA-N 291.347 2.500 0 1 CFAF Cc1cc2c(cc1F)[C@](C)(c1cc(C=O)n(C)c1)NCC2 962298559 MYKPWZNNKJSALO-KRWDZBQOSA-N 286.350 2.694 0 1 CFAF Cc1ccnc2c1CCN[C@]2(C)[C@@H]1C[C@@H](N)c2ccccc21 963079034 ZUWBRVCYDKTLHK-ZHALLVOQSA-N 293.414 2.938 0 1 CFAF CCOc1ccc(/C=C/c2cc(=O)c(O)cn2C)cc1 1772650754 LKODGMBRPMBJGE-QPJJXVBHSA-N 271.316 2.660 0 1 CFAF C/C1=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2CC/C(C)=C/C[C@@H]1O 169640632 RLHPCSSGTQNSJN-YYUXVJCGSA-N 250.338 2.602 0 1 CFAF N#Cc1ccc(-c2cncc3c2CCC[C@@H]3O)cc1 205706792 CRBUYSNYWXOHBE-INIZCTEOSA-N 250.301 2.990 0 1 CFAF NCCS[C@H]1c2ccccc2Oc2ncccc21 25971043 GBJMKMNAFJXECL-ZDUSSCGKSA-N 258.346 2.969 0 1 CFAF COc1cc([C@@H](C)O)c[n+](CC[C@H]2CNc3ccccc32)c1 1630261 YZGGZETUQKBYKW-KGLIPLIRSA-N 299.394 2.635 0 1 CFAF Cc1ccc2c(c1)[C@H](CCO)CC(=O)[C@H](C)[C@@H](O)[C@@H]2C 2356347114 JMMNJTYHKKYEGC-ZHRONYKTSA-N 276.376 2.534 0 1 CFAF CC=CC=CCCCC[C@@H](O)C(=O)NCC(C)C 2356284394 ZFNHTPGNNDBTCK-CQSZACIVSA-N 253.386 2.812 0 1 CFAF Cc1ccnc(N2[C@H]3CC[C@H]2CC(O)(c2ccccc2)C3)n1 101591137 VJQMHZNBFRZRLV-HOTGVXAUSA-N 295.386 2.804 0 3 CFAF CCC(=O)NCCc1c[nH]c2c(C)cc(OC)cc12 28815136 NNMIRFWFPXYTHO-UHFFFAOYSA-N 260.337 2.554 0 1 CFAF CC(=CCC[C@]1(C)[C@H]2CC[C@@H](C2)[C@]1(C)O)C(=O)O 2356418647 QPVGQZZKAUMQSM-VIRABCJISA-N 252.354 2.985 0 1 CFAF C[C@@H]1C(=O)C[C@]23CCN(C)[C@@H](Cc4ccc(O)cc42)[C@@H]3[C@H]1C 101469739 UXGGGGCNEATCRR-DSRHSHBNSA-N 299.414 2.751 0 1 CFAF COC(=O)[C@H]1C=C[C@H](C)[C@@H](CCOc2ccccc2)O1 66139305 SJURJHVQPGUJTI-NWANDNLSSA-N 276.332 2.588 0 1 CFAF CCCC=C[C@@H]1Cc2cc(O)c(C)c(O)c2C(=O)O1 2356802561 SKCMXYCMEOCGDG-LLVKDONJSA-N 262.305 2.844 0 1 CFAF CCOC(=O)[C@@H]1CC[C@@H]2c3ccc(OC)cc3CCN2C1 1682659 GVIQKSWGRJBTDB-CZUORRHYSA-N 289.375 2.568 0 1 CFAF biogenic c1cc2c(OC3CCNCC3)nc3ccsc3n2c1 40896414 ZRAVFFAFFLWURE-UHFFFAOYSA-N 273.361 2.680 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnc(F)c1)O2 587387303 QLJLUJXSPZEAMX-CYBMUJFWSA-N 272.279 2.818 0 1 CFAF COc1ccc(C=O)c(-c2nc3c(C)cncc3[nH]2)c1OC 587786043 GHQWDYGDTXHYAQ-UHFFFAOYSA-N 297.314 2.763 0 1 CFAF CC(C)C[C@H]1CCc2cc3c(O)nc(O)nc3nc2C1 587562345 XSNAJUHDUCGBTG-SECBINFHSA-N 273.336 2.587 0 1 CFAF COc1cc(C)c(O)n1-c1c(N)cccc1Br 587936390 IMGVTGGJQJAMNT-UHFFFAOYSA-N 297.152 2.845 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)CC1(CCSCC1)O2 587414427 MGGMYVANCUSMBU-UHFFFAOYSA-N 263.362 2.808 0 1 CFAF CC[C@H]1CC[C@H](C)c2cc3c(O)nc(O)nc3nc21 587561818 MFJCIKFXPGGSAR-YUMQZZPRSA-N 259.309 2.827 0 1 CFAF CCCc1c(O)ccc2c1OC1(CSC1)CC2=O 587497512 WYGYAXRNWKUZOB-UHFFFAOYSA-N 264.346 2.796 0 1 CFAF COc1ccc2nc(C34CCC(CO)(CC3)CC4)[nH]c2n1 586899145 MTCYJVXCOXZCCF-UHFFFAOYSA-N 287.363 2.551 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H]1CCCCN1)O2 587398471 DEJCGCXYIXNTON-PXAZEXFGSA-N 288.391 2.833 0 1 CFAF CC(C)(SCc1nc2cccc(F)c2[nH]1)C(=O)O 586958406 FLZSGJVOHQBBGJ-UHFFFAOYSA-N 268.313 2.798 0 1 CFAF NC(=O)N1CCc2sccc2[C@@H]1c1ccc2nc[nH]c2c1 962720997 YOZPFUPUBREVEO-AWEZNQCLSA-N 298.371 2.651 0 1 CFAF COC(=O)C1=C[C@]2(CCC1)NCCc1c2sc(C)c1C 963005083 CMNNARYKAPDIKD-INIZCTEOSA-N 291.416 2.989 0 1 CFAF CN1CCc2cc(N)cc3c2[C@H]1Cc1ccc2c(c1-3)OCO2 5851204 GFLPGNFIZZGPRP-CQSZACIVSA-N 294.354 2.750 0 1 CFAF COC[C@@]12Cc3ccc(O)cc3[C@@](C)(CC[C@H]1N(C)C)C2 13755908 LMPYGANIBIHENG-SQNIBIBYSA-N 289.419 2.953 0 1 CFAF O=C1c2cccc(O)c2-c2c3c(cc4ccnc1c24)OCO3 14620136 DODFKQNXZYACBI-UHFFFAOYSA-N 291.262 2.881 0 1 CFAF biogenic,in-vitro C[C@@]12CO[C@]3(C(=O)Nc4nccs4)C[C@@H]1CC[C@@]32C 169689384 BTWJITAQMDZBHX-VKKKGTNTSA-N 278.377 2.677 0 1 CFAF COc1cc(-c2nccc3n[nH]c(C)c23)cc(OC)c1OC 1857614223 IVHZWMCEBSPXIZ-UHFFFAOYSA-N 299.330 2.959 0 1 CFAF CC(=O)[C@@H]1C[C@@]2(c3ccccc3)C(=O)c3ccccc3N2O1 1633313 YZWBVQPLHHHLEF-FUHWJXTLSA-N 293.322 2.878 0 1 CFAF O=C(N[C@H]1C=C[C@H](O)CCCC1)OCc1ccccc1 2356322179 AXHCDPGMGGQMOH-HUUCEWRRSA-N 275.348 2.773 0 1 CFAF COC(=O)[C@]12CC[C@H]3CC[C@H]([C@H]31)[C@H](c1ccccc1)N2 6040574 WVXFLFWPJQWNKR-ZJBDGZLFSA-N 271.360 2.679 0 1 CFAF CNC(=O)[C@H](OC)c1ccccc1COc1ccccc1 103177174 IQUNKQCFTNPUAR-MRXNPFEDSA-N 285.343 2.699 0 1 CFAF C[C@H](c1ccccc1)n1cnc2c(N(C)C)ncnc21 25977265 QWKUCITULSLMLK-LLVKDONJSA-N 267.336 2.502 0 1 CFAF COC(=O)C1=C(c2ccc(F)cc2)C[C@H]2CC[C@@H]1O2 28392087 AQYGKZKOQFVRAD-YPMHNXCESA-N 262.280 2.704 0 1 CFAF C[C@]12CC[C@@H]3[C@@H]4CC[C@H](O)C[C@@H]4C[C@H](O)[C@H]3[C@H]1CCC2=O 2356692839 MWTVKHPOHVKKET-HOSBKDKPSA-N 292.419 2.540 0 1 CFAF O=C(CC1=NCCN1)N[C@H](c1ccccc1)C1CCCCC1 26385951 ONJWFJRJPGXSCB-GOSISDBHSA-N 299.418 2.816 0 1 CFAF COc1cc2c(cc1O)[C@@H](C(C)C)N(C(C)=O)CC2 40845072 MYOQMNQKSOIRMP-OAHLLOKOSA-N 263.337 2.503 0 1 CFAF CNC[C@@H](O)[C@H](c1ccccc1)N(C)c1cccc(C)c1 40892476 CKTXYRYJADRLRV-MSOLQXFVSA-N 284.403 2.753 0 1 CFAF C[C@@H]1CC[C@@H](C(C)(C)O)[C@H]2C=C(C(=O)O)CC[C@@H]12 238735362 YVNQIXNGSFWMAR-LPTSXCQYSA-N 252.354 2.841 0 1 CFAF Oc1ccc(-c2cc(-c3c(O)cccc3O)n[nH]2)cc1 473088720 JOUCAVIYCUOZLP-UHFFFAOYSA-N 268.272 2.861 0 1 CFAF CN1CCC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587515278 ROUARTCLWQTZKG-SFHVURJKSA-N 285.387 2.995 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(C)co1)O2 587393282 DZICLIOSOQJONS-GFCCVEGCSA-N 258.277 2.580 0 1 CFAF Oc1nncc2nc(-c3cc(Cl)nc4ccccc34)[nH]c12 587084565 CGSWVIYHWABBDI-UHFFFAOYSA-N 297.705 2.927 0 1 CFAF CC[C@@H]1OCCC[C@@H]1c1nc2cncc(OC)c2[nH]1 586912771 PFEGGRYNWQTTCQ-ONGXEEELSA-N 261.325 2.639 0 1 CFAF CCc1ccccc1NC(=O)c1nc2ncccc2[nH]1 587241026 OEACHJFLWRSZMK-UHFFFAOYSA-N 266.304 2.773 0 1 CFAF CCOC(=O)c1c(-c2nccn2C)[nH]c2cccc(F)c12 587634899 BPWDBUIWGCMJPB-UHFFFAOYSA-N 287.294 2.884 0 1 CFAF COc1cc2c3c(c1)O[C@@H]([C@@H]1CCSC1)[C@@H](C2)C3=O 587449966 CRRHZMWOHQHMRH-SXKNGAHQSA-N 276.357 2.564 0 1 CFAF Cc1ccc2nc(COc3ccc(F)cc3)[nH]c2n1 587169069 RVTVFDAGCLDCNR-UHFFFAOYSA-N 257.268 2.984 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C1(O)CCCCC1)O2 587403342 GWMFZPWGSAQQHN-INIZCTEOSA-N 289.375 2.996 0 1 CFAF COc1cccc(S(=O)(=O)/C=C/c2ccccn2)c1 1857582673 IGLYNPZQRIJOBD-CSKARUKUSA-N 275.329 2.535 0 1 CFAF Oc1nc(-c2ccccn2)nc(O)c1Cc1ccccc1F 116193229 CFUQBULYPHGMBY-UHFFFAOYSA-N 297.289 2.680 0 1 CFAF COc1cc(C(=O)O)ccc1Oc1ccc(C=O)cc1O 5999174 FXAPIKRPPXOWOW-UHFFFAOYSA-N 288.255 2.704 0 1 CFAF Cc1c(C)c2c(c(C)c1N)C[C@@](C)(CCN(C)C)O2 13652129 LMYPMOBDNRKJED-MRXNPFEDSA-N 262.397 2.839 0 1 CFAF CC(=O)c1ccc(OCCCc2c[nH]cn2)cc1C 13814601 VNJQEPBLIWHTSU-UHFFFAOYSA-N 258.321 2.932 0 1 CFAF Cc1cccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2[C@H]2C[C@H]23)c1 169306393 SGZYQAYFUHQODN-IATJYDTKSA-N 297.354 2.702 0 1 CFAF Nc1c(CCO)cccc1[C@H](O)c1ccc(Cl)cc1 26398743 RNNKRPICXJIOPQ-OAHLLOKOSA-N 277.751 2.539 0 1 CFAF COC(=O)CC=C(C)C1=C(C)CC[C@@H]2[C@@H](C)C(=O)O[C@@H]12 2356474624 YVXVQMWUXKMTIT-LALPHHSUSA-N 278.348 2.784 0 1 CFAF CCCc1nc(SC)ncc1C(=O)Nc1cccnc1 20931745 USAMHBIBHNOUSF-UHFFFAOYSA-N 288.376 2.798 0 1 CFAF C[C@]1(C(=O)O)OC[C@@H](CCCCc2ccc(O)cc2)CO1 101646235 RYCKYQVASJLRMX-AKAXFMLLSA-N 294.347 2.569 0 1 CFAF CCCCCCNS(=O)(=O)NCCCCCC 66156437 MMIRODNOUWGYLL-UHFFFAOYSA-N 264.435 2.571 0 1 CFAF CCCc1nc2cccc(CCCNC(C)=O)c2o1 27213129 SWBZOOOXXAQOAZ-UHFFFAOYSA-N 260.337 2.849 0 1 CFAF O=c1[nH]c2cnc3[nH]ccc3c2n1C1CCCCC1 117901028 LIEFFTZBSWVRMX-UHFFFAOYSA-N 256.309 2.711 0 1 CFAF O=C(NCc1ccccc1)Nc1ccc2[nH]ncc2c1 28642183 CXBJSHXVWUZPRT-UHFFFAOYSA-N 266.304 2.885 0 1 CFAF Cc1c2n(c3ccccc13)CC[C@H]1[C@H]2N(C)CCN1C 27308856 YKAJDELWEFYBED-DOTOQJQBSA-N 269.392 2.640 0 1 CFAF Cc1nc2c(c(N(C)c3ccccc3)n1)C[C@H](C)N2 64448338 LYCQIHRYNIKVST-JTQLQIEISA-N 254.337 2.909 0 1 CFAF Cc1ccc([C@H](O)CNC(=O)/C=C/c2ccccc2O)cc1 73160693 FIEOHSGIPZYIJC-SXSDINLZSA-N 297.354 2.564 0 1 CFAF CC(C)CN(C(=O)c1cccc(Cl)c1)[C@@H]1CCNC1 211014224 CMNJEKBHBKVRME-CQSZACIVSA-N 280.799 2.800 0 1 CFAF in-vitro COc1ccccc1/C=C/c1cc(C(N)=O)ccc1OC 82151420 GIEIOPZFDBPMII-BQYQJAHWSA-N 283.327 2.973 0 1 CFAF Cc1ccc(C)c(NC(=S)c2c(N)noc2C)c1 82051997 PWMBYSPGVGFYGU-UHFFFAOYSA-N 261.350 2.970 0 1 CFAF COC(=O)[C@H]1CC[C@@H]2C(=O)C(C)(C)[C@@H]3CC[C@]12C3 238764281 FKDLMNVLAYZRNQ-UYUMYWFVSA-N 250.338 2.581 0 1 CFAF CN1C(=O)CC[C@H]2[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 253635766 SQCYNKYOQAZHHL-MWLXEELWSA-N 291.435 2.821 0 1 CFAF CO[C@H]1CCCn2nc(COc3ccccc3)cc21 299836846 ICSSNRVOONIPGW-HNNXBMFYSA-N 258.321 2.943 0 1 CFAF COC1(OC)C=C[C@@]2(CC1)C(C(C)C)=CC[C@@H]2CO 653810136 ZMHSZYIVEIXWKY-HIFRSBDPSA-N 266.381 2.907 0 1 CFAF COc1cncc2[nH]c(C3=Cc4cccc(O)c4OC3)nc12 586907519 GULMJLOBINJRSL-UHFFFAOYSA-N 295.298 2.605 0 1 CFAF Nc1c(F)c(F)cc(-c2nc3c(Cl)ncnc3[nH]2)c1F 587136475 IOSDEDYBNIFEPI-UHFFFAOYSA-N 299.643 2.673 0 1 CFAF Nc1ccc2oc(-c3nc4ccnc(O)c4[nH]3)cc2c1 587252417 DZVNYFVXYUDJRX-UHFFFAOYSA-N 266.260 2.659 0 1 CFAF COC(=O)C(F)(F)c1[nH]c2cc(F)ccc2c1C 587633531 FXWXNXPOFLYKJG-UHFFFAOYSA-N 257.211 2.880 0 1 CFAF CCNC(=O)CCc1nc2cc(Cl)c(Cl)cc2[nH]1 587229779 CWLPXNCFBIUVOZ-UHFFFAOYSA-N 286.162 2.938 0 1 CFAF C=C1C=C(NN)n2nc(C)c(-c3ccc(Cl)cc3)c2N1 957611446 HAGRRLVVJJGVET-UHFFFAOYSA-N 287.754 2.713 0 1 CFAF C[C@H](C(=O)O)c1ccc2cc([S@](C)=O)ccc2c1 1857571749 WSORMMUWTNPYQP-YYSFKGJASA-N 262.330 2.765 0 1 CFAF COc1c([C@@H](C)O)cc2c(c1OC)OC(C)(C)C=C2 13306072 WLLPYKPZYOAPQI-SECBINFHSA-N 264.321 2.941 0 1 CFAF O=C(N[C@H]1CCc2[nH]c3ccccc3c2C1)C(F)(F)F 13777722 JYDZPCYSHNAIFO-QMMMGPOBSA-N 282.265 2.704 0 1 CFAF COc1ccccc1[C@@H]1CC(=O)Oc2cc(O)ccc21 13814259 UYUVYYYCLDJRMF-ZDUSSCGKSA-N 270.284 2.842 0 3 CFAF CC(=O)N(C)c1ccc(C(=O)Nc2ccccc2N)cc1 209736033 LLDOKKPMONKORD-UHFFFAOYSA-N 283.331 2.504 0 1 CFAF COc1ccccc1[C@H](O)COC(=O)/C=C/c1ccccc1 1857752611 GQCXJNMZBGZDGA-LPQFERQCSA-N 298.338 2.985 0 1 CFAF COc1ccc(-c2nccc3[nH]c(=O)ccc23)cc1 13731320 WEDRUZVVMHJSPZ-UHFFFAOYSA-N 252.273 2.599 0 1 CFAF CC1=CC2=c3ccccc3=N[C@@H](c3ccccc3Cl)N2N1 104045801 KMXZRIBOUIKINU-QGZVFWFLSA-N 295.773 2.504 0 3 CFAF CCN(C)C(=O)Oc1ccc2c(c1)CN(CC1CC1)CC2 29128717 LKWDXDDXOZCSBS-UHFFFAOYSA-N 288.391 2.905 0 1 CFAF COc1ccc(C[C@@H]2OC(=O)[C@@H](CCC(C)=O)[C@@H]2C)cc1 2356705818 FQDIKVIRFICCSR-RCBQFDQVSA-N 290.359 2.785 0 1 CFAF CC(=CC[C@H](O)C(C)C)c1ccc(C(=O)O)cc1O 2356787018 BEIIQDAJVMUPKL-ZDUSSCGKSA-N 264.321 2.901 0 1 CFAF NCCNCc1cccc2ccc(-c3ccccc3)nc12 28248536 VZSSOPYLTFRRTM-UHFFFAOYSA-N 277.371 2.950 0 1 CFAF O=C(Cc1ccc(F)cc1)N[C@@H]1c2ccccc2CC[C@@H]1O 61959123 KTCHCLOYTRWNSJ-FUHWJXTLSA-N 299.345 2.533 0 3 CFAF CCC[C@H](C)Nc1nc(N2CCN(CC)CC2)ncc1C 82202016 ZFABOSORSMRLPD-AWEZNQCLSA-N 291.443 2.527 0 1 CFAF NC1CCC(N[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 149658411 GADXVPHSTSJKLA-UFDFEIGVSA-N 266.335 2.680 0 1 CFAF Cc1coc2c1[C@@H]1OC(=O)[C@H]3CCC[C@H](C2=O)[C@@]31C 238762743 DKIQWJSYQVPEGA-CCLDXYKRSA-N 260.289 2.805 0 1 CFAF Fc1ccc(-c2nc3ccncc3[nH]2)nc1Br 587155426 LPTNREKVILMFIP-UHFFFAOYSA-N 293.099 2.922 0 1 CFAF CC[C@]1(CCC(=O)O)CC(=O)c2cc(C)cc(N)c2O1 587407735 KSFITQLJBCTBJR-HNNXBMFYSA-N 277.320 2.556 0 1 CFAF CCOc1cc(-c2cccc(F)c2)nn1Cc1cnccn1 587871175 CCMXMFVSCJLGLS-UHFFFAOYSA-N 298.321 2.926 0 1 CFAF COC[C@]1(CC(C)C)CC(=O)c2cc(C)cc(N)c2O1 587400800 OVNLDKXRJAXLMA-INIZCTEOSA-N 277.364 2.974 0 1 CFAF COc1nccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c12 587174317 OELSVLKEQIECHQ-GFCCVEGCSA-N 285.278 2.782 0 1 CFAF C=CN1CC[C@H](c2cc3c4c(cccc4n2)CC3)C1=O 587213390 WAHHYALGPIMVLP-CYBMUJFWSA-N 264.328 2.793 0 1 CFAF O=C1C[C@@]2(CCC[C@H]2O)Oc2c1ccc1c2CCCC1 587529787 DMSGIMNNLSVWGL-NVXWUHKLSA-N 272.344 2.814 0 1 CFAF CC[C@@H](C)CSC(=S)NCC/C=C/[S@](C)=O 1857770152 SEEYPZXHCAHTKX-SSKBKPHLSA-N 279.496 2.923 0 1 CFAF COc1c(O)cc(O)c2c1O[C@@H](c1ccccc1)CC2=O 14807116 FKAOWOSRYSMEBS-CYBMUJFWSA-N 286.283 2.813 0 1 CFAF endogenous,in-man CC(C)=CCc1c2c(c(O)c3ccc(=O)oc13)OCO2 14814680 NUJIXGZJFZZNEJ-UHFFFAOYSA-N 274.272 2.736 0 1 CFAF O=N[C@H]1c2ccccc2O[C@@]2(C(=O)Nc3ccccn3)C[C@@H]12 169728013 BYHNFRUAWWJVKC-PJODQICGSA-N 295.298 2.679 0 1 CFAF CC[C@@H](Oc1ccc(Cl)cc1)C(=O)OCCCN(C)C 29462980 IGMBJSJEBBLGDC-CQSZACIVSA-N 299.798 2.992 0 1 CFAF CC[C@H](C)[C@@H]1[C@@H](C)[N@@]1S(=O)(=O)c1ccc(C)cc1 2356320475 KOUBNLRNADVRIY-CTHBEMJXSA-N 267.394 2.803 0 1 CFAF O=c1c2c(nc3c(-c4ccccc4)c[nH]n13)CCCC2 103896844 JJWROLUTTRTFDW-UHFFFAOYSA-N 265.316 2.568 0 3 CFAF O=C1[C@@H](Cc2ccccc2)OCCN1Cc1ccccc1 29402168 WNYDUBIOYBARFF-QGZVFWFLSA-N 281.355 2.657 0 1 CFAF C[C@]12CC[C@H]3[C@H]([C@@H](O)C[C@H]4C[C@@H](O)CC[C@H]43)[C@@H]1CCC2=O 2356692840 MWTVKHPOHVKKET-OAYXHDGISA-N 292.419 2.540 0 1 CFAF C[C@H]1[C@@H]2C3=CC=CC[C@@H]3[C@@H](Cc3ccccc32)N1CO 27526614 BKVFAIPAILCULU-HZCDGDGTSA-N 267.372 2.851 0 1 CFAF NC(=O)c1cc(-c2ccnc(N)n2)sc1-c1ccccc1 64527803 DJAMYJHJBLQPKJ-UHFFFAOYSA-N 296.355 2.553 0 1 CFAF Cc1c(NC2CC2)nc(C2CC2)nc1N1CCSCC1 34802236 XWQHYCHXAAQZQB-UHFFFAOYSA-N 290.436 2.790 0 1 CFAF OCc1cccc(-n2cnc3c(Cl)nc(Cl)nc32)c1 45287275 CEAJRHZOKCQCMN-UHFFFAOYSA-N 295.129 2.615 0 1 CFAF CCCCCOc1ccc2c(c1)SCc1n[nH]c(=O)n1-2 96929617 VVMUXMCPRSSTEI-UHFFFAOYSA-N 291.376 2.735 0 1 CFAF COC(=O)c1cccc2nc([C@H]3CCCC(=O)CC3)[nH]c12 586884954 KHEWVVNLOHYUNM-JTQLQIEISA-N 286.331 2.966 0 1 CFAF C[C@H](Sc1ncccn1)c1nc2nc(Cl)c[nH]c-2n1 586960408 BSDAXMZIENIVGI-LURJTMIESA-N 292.755 2.601 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(C)co1)O2 587393283 DZICLIOSOQJONS-LBPRGKRZSA-N 258.277 2.580 0 1 CFAF CCOC(=O)Cc1nc2cccc3c2c(c1C)CC3 587212002 NRXOHCZMRKACSQ-UHFFFAOYSA-N 255.317 2.747 0 1 CFAF Nc1ccccc1-c1[nH]c2cc(F)ccc2c1[C@@H](N)C(=O)O 587636093 QHUWGMBLNWXKCE-CQSZACIVSA-N 299.305 2.641 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1nccn1C)(C1CC1)O2 587391911 UPGNJOQKKZFXNG-QGZVFWFLSA-N 297.358 2.581 0 1 CFAF O=C1O/C(=C/c2nc3cnccc3[nH]2)c2ccccc21 586905749 ANLJWDYGUAXXGC-NTUHNPAUSA-N 263.256 2.626 0 1 CFAF COC(=O)C[C@H](C)Cc1nc2cccc(Cl)c2[nH]1 587783324 OBEHRBCBLBZWSF-MRVPVSSYSA-N 266.728 2.958 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C)on1)[C@@H](C2)C3=O 587437105 WVNNRELPPGZOFV-MEDUHNTESA-N 285.299 2.654 0 1 CFAF O=C(O)c1cccc2c1CCN[C@H]2CCC(F)(F)F 963135155 XDGPSGVLTKCUKT-NSHDSACASA-N 273.254 2.914 0 1 CFAF CNC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1 125243 NTBXNHAKKIPQJH-UHFFFAOYSA-N 289.282 2.527 0 1 CFAF CCO[C@@H]1O[C@@H](C)Cc2c(C)c(O)cc(OC)c21 13460349 CLAXJTXPHPPOCK-RMLUDKJBSA-N 252.310 2.706 0 1 CFAF Cc1ccc2oc(=O)n3nc(-c4ccccc4F)nc3c2c1 13741686 MJPMDLRAJNZSOV-UHFFFAOYSA-N 295.273 2.950 0 1 CFAF CCCCCNC(=O)[P@](=O)(O)[C@@H](N)Cc1ccccc1 28702432 FKTMGCDQOYUCQL-CYBMUJFWSA-N 298.323 2.684 0 1 CFAF C[C@H](CC(=O)C[C@@]1(C)C2C[C@@H]3[C@@H](C2)C31C)C(=O)O 100778709 PJKNORSNWWYCMC-WVSRQHTGSA-N 250.338 2.739 0 1 CFAF endogenous,in-man CCOC(=O)c1c(Cl)c2ccc(C)nc2n(CC)c1=O 26381393 MZUYYXCNONXVBK-UHFFFAOYSA-N 294.738 2.555 0 1 CFAF c1ccc2c3cc[nH]c(N4CCOCC4)c-3nc2c1 101365396 DJCHSGOCDDFQGD-UHFFFAOYSA-N 253.305 2.504 0 1 CFAF CC(C)[C@@H]1CC[C@H](C)[C@]2(O)CCC(C(=O)O)=C[C@H]12 2356651942 ISNQOHCTTZIKKK-MUYACECFSA-N 252.354 2.841 0 1 CFAF C[C@@H](NC1CCCCC1)c1nc2c(C(N)=O)cccc2[nH]1 40977241 FDVYKESEUOSJQY-SNVBAGLBSA-N 286.379 2.645 0 1 CFAF COc1ccc2c(c1)c1ccnc3c1n2C(=O)CC3 221999085 STZUJCKEHJWUNP-UHFFFAOYSA-N 252.273 2.785 0 1 CFAF CN(CCO)c1cc(Oc2ccc3ccccc3c2)ncn1 82067711 UCGYURIKFFOQDF-UHFFFAOYSA-N 295.342 2.851 0 1 CFAF O=S1(=O)C=Cc2cc(OCc3ccccc3)ccc2O1 95585195 NTJZZKMLOPYFGA-UHFFFAOYSA-N 288.324 2.959 0 1 CFAF CN(CCc1ccccn1)[C@H]1[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53 299845758 YLVXPEMITKSDOS-HUHJLJJHSA-N 280.415 2.702 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1coc(C)n1)[C@@H](C2)C3=O 587435667 IGXKDHFHKKBASU-MEDUHNTESA-N 285.299 2.654 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(N(C)C)n1)O2 587386036 GPDSVLJDFXKPFW-HNNXBMFYSA-N 297.358 2.745 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1cncc(C)c1)[C@@H](C2)C3=O 587435355 FATWSYBOCIRXSL-SUMWQHHRSA-N 281.311 2.887 0 1 CFAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2c(N)ccnc2[nH]1 587150525 LKAULCWCXSAOBS-ZETCQYMHSA-N 290.273 2.958 0 1 CFAF N[C@]1(c2nc3ccc(CO)cc3[nH]2)C[C@H]1c1ccccc1F 587154779 GYMKRYNSFZXPIY-YVEFUNNKSA-N 297.333 2.536 0 1 CFAF Cc1ccc(CCc2nc3ccc(CCO)cc3[nH]2)cc1N 587250801 PSRPBFNHPWUFGP-UHFFFAOYSA-N 295.386 2.774 0 1 CFAF COC(=O)c1cc2[nH]c(-c3ccc(CN=O)cc3)nc2cn1 587189702 FIWOQLHYZASSGH-UHFFFAOYSA-N 296.286 2.678 0 1 CFAF COc1cc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2cn1 587093734 RXOMATSQHWKSQH-WDSKDSINSA-N 257.215 2.632 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cccnc1OC)[C@@H](C2)C3=O 587435753 JIZXGRNEUDBIKP-LRDDRELGSA-N 297.310 2.588 0 1 CFAF Cc1cnc(Cl)c2[nH]c([C@H](N)Cc3cscn3)nc12 587028546 RFFGTPOAXWQZRA-MRVPVSSYSA-N 293.783 2.619 0 1 CFAF Fc1ccc(/C=C\c2nc3ncc[nH]c-3n2)c(F)c1 587151074 PVJWBSFTRXCPDA-RQOWECAXSA-N 258.231 2.753 0 1 CFAF COC(=O)c1ccc2nc([C@H](C(C)C)N(C)C)[nH]c2c1 587198712 KWARULVSONTPBK-ZDUSSCGKSA-N 275.352 2.608 0 1 CFAF CC1(C)CC[C@]12c1ccsc1CCN2C(N)=O 962701341 AOSMTGKWPPVWIQ-ZDUSSCGKSA-N 250.367 2.700 0 1 CFAF Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(CCO)C1 12455640 VRZVTCFPJBMWRA-LBPRGKRZSA-N 281.783 2.535 0 1 CFAF C[C@@H]1[C@H](OC(=O)[C@@H](O)c2ccccc2)CCC(C)(C)N1C 13298689 SXLHPJQSZRLJAE-YUELXQCFSA-N 291.391 2.525 0 1 CFAF CNc1nc(Nc2ccc(C#N)cc2OC)ncc1Cl 205925829 LBJUSKJCPFJNIK-UHFFFAOYSA-N 289.726 2.796 0 1 CFAF COc1ccc2c(OC(C)C)c(C(N)=O)sc2c1 13603725 HHSGABMWWADADO-UHFFFAOYSA-N 265.334 2.796 0 1 CFAF CC(=O)NCCc1cccc2ccc3c(c12)C[C@H](C)O3 3825343 NSYNGGKLAICNFM-NSHDSACASA-N 269.344 2.842 0 1 CFAF COc1ccccc1NC(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 102215548 YENAWCCCPDCCBY-RYUDHWBXSA-N 290.363 2.869 0 1 CFAF OCCNc1cc2cc(-c3ccncc3)ccc2cn1 63539520 IIRXSFAOXPAZJZ-UHFFFAOYSA-N 265.316 2.701 0 1 CFAF CCCn1nc(-c2ccc(Cl)cc2)n(CC)c1=O 26675482 HZBQHUZXZWRDEP-UHFFFAOYSA-N 265.744 2.795 0 1 CFAF CC1=CCC[C@H](C)[C@H](C)OC(=O)CC[C@](C)(O)C=C[C@H]1O 2356604341 YFBAYNVMPAOPKZ-MKVSYHDVSA-N 296.407 2.743 0 1 CFAF O=C1C[C@@]23C[C@@]14CCCN1CC[C@H]([C@H]2c2ccccc2N3)[C@@H]14 2356766113 KQOTZCMTYZMKDE-QSGLGXSPSA-N 294.398 2.782 0 1 CFAF COc1ccc([C@@H](c2ccccc2)[C@@H](O)CN(C)C)cc1 39245482 RWNCKDRONMTFQS-ZWKOTPCHSA-N 285.387 2.750 0 1 CFAF CC1(C)C(=O)N[C@@H](c2ccccc2N)c2ccccc21 33852864 WLCXARDBSLUIBR-OAHLLOKOSA-N 266.344 2.766 0 1 CFAF Clc1ccc(CNC[C@@H]2C[C@@H]2c2c[nH]cn2)cc1 35033865 QGRLYCYTQSXMLL-AAEUAGOBSA-N 261.756 2.956 0 1 CFAF CCCCC[C@@]1(c2ccccc2)NC(=O)N(C)C1=O 45353562 HMGDGENDRBGMOY-HNNXBMFYSA-N 260.337 2.644 0 1 CFAF CC1CCN(C(=O)Oc2nsc3ncccc23)CC1 141993556 BKZYFLXAEJOXJL-UHFFFAOYSA-N 277.349 2.922 0 1 CFAF Oc1cccc2[nH]c(-c3cccc(OCC(F)F)n3)nc12 587125594 SLZAXZVCNHBMEM-UHFFFAOYSA-N 291.257 2.974 0 1 CFAF OCC12CCC(c3nc4cccnc4[nH]3)(CC1)CC2 586900001 YWRHCLADMTVJIX-UHFFFAOYSA-N 257.337 2.542 0 1 CFAF COc1cncc2nc(C(C)(C)CSC)[nH]c12 586968457 DOZYBWHTVTULFS-UHFFFAOYSA-N 251.355 2.607 0 1 CFAF CC(C)(SCc1nc2cc3cn[nH]c3cc2[nH]1)C(=O)O 586958879 HORZYWIZNYLTKN-UHFFFAOYSA-N 290.348 2.536 0 1 CFAF Cc1cc2[nH]c(-c3c(N)cccc3C(=O)O)nc2c(C)n1 587250371 NPVSXAPMEPWFHF-UHFFFAOYSA-N 282.303 2.522 0 1 CFAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(F)cnc2[nH]1 586906339 BOZVBGYBHAKYNK-MRVPVSSYSA-N 285.278 2.678 0 1 CFAF COC(=O)/C=C(\C)c1cc2c3c(cccc3n1)CC2 587214439 PZSPXVCAHLQHPY-CSKARUKUSA-N 253.301 2.910 0 1 CFAF Fc1cccc([C@@H]2C[C@H]2c2nc3ncc[nH]c-3n2)c1 587161444 OENKBEMQVPYZOT-WDEREUQCSA-N 254.268 2.715 0 1 CFAF CC(=O)Nc1ccc(C)cc1C(F)(F)C(=O)NC(C)C 1857559853 AWQHFXBVMCKKGM-UHFFFAOYSA-N 284.306 2.570 0 1 CFAF CCCC(=O)N[C@@H](C)Cc1ccc(F)c(OC)c1 1857606981 MRLYLDICLOFISA-JTQLQIEISA-N 253.317 2.682 0 1 CFAF CCOP(=O)(OCC)[C@H]1C[N@]1Cc1ccco1 1857622860 KTPPXAYMISNBOE-RYUDHWBXSA-N 259.242 2.687 0 1 CFAF OCc1ccc2oc(C3=CN4CCC3CC4)cc2c1 13757475 KXWQFRGSVGBDNK-UHFFFAOYSA-N 255.317 2.992 0 1 CFAF Cc1nc2cccc(Sc3ccncc3)c2c(=O)[nH]1 13826151 JFKBXPBXBYWOBQ-UHFFFAOYSA-N 269.329 2.778 0 1 CFAF O=C1OC[C@H]2[C@H]3c4ccccc4[C@H](O)c4ccccc4[C@H]3[C@@H]12 17191356 KAFDISJYHBMFEQ-PNKHAZJDSA-N 292.334 2.752 0 1 CFAF CC(=O)NCCc1cccc2ccc3c(c12)C=CCO3 20591 FTZVUKIJZSOGMD-UHFFFAOYSA-N 267.328 2.924 0 1 CFAF COc1ccc2c(c1)[C@H](CCCN1CCNCC1)CCC2 22938195 KWKVXFSOYNIXLR-HNNXBMFYSA-N 288.435 2.801 0 1 CFAF N=C(N)c1ccc2c(ccn2Cc2cccc(N)c2)c1 26750418 PHWLXNIGOXPBJT-UHFFFAOYSA-N 264.332 2.556 0 1 CFAF in-vivo CC1(C)O[C@@]2(C3CCCC3)C[C@H]3CC[C@H](CO)[C@@](N)(C2)[C@H]31 2356372299 BHZOVCLUZDPBDV-ZVEIASASSA-N 293.451 2.850 0 1 CFAF Cc1cc(O)c(Cc2c(C)cc(O)cc2O)c(O)c1C=O 2356406707 DOKDJQJWWVMHLL-UHFFFAOYSA-N 288.299 2.529 0 1 CFAF Cc1nnc2sc(SCc3ccccc3)nn12 6523605 MYTXIMZXJZWJKG-UHFFFAOYSA-N 262.363 2.787 0 1 CFAF CCC(=O)C[C@@H](NC(=O)OC)c1ccc(F)cc1 7992431 FWQLSHNNXIGGMI-GFCCVEGCSA-N 253.273 2.592 0 1 CFAF CC(C)N(CCN(C(=O)N(C)C)c1ccccn1)C(C)C 27628928 JZIJHLJINQREJB-UHFFFAOYSA-N 292.427 2.688 0 1 CFAF c1ccc(OCCN[C@H]2CO[C@H](c3ccccc3)CO2)cc1 103217533 HCAVXZVADQBRJP-ZWKOTPCHSA-N 299.370 2.769 0 1 CFAF Nc1ncc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 66101207 QJXVFJLPEPBYIY-UHFFFAOYSA-N 293.326 2.909 0 1 CFAF CC1=C[C@@H]2[C@H](C[C@@H]1O)C(C)=CC[C@@H]2[C@H](C)C(=O)O 2356497968 FHZJEKGROMUBDB-ZSLBOAEBSA-N 250.338 2.617 0 1 CFAF Cc1c(O)c2ccccc2c2c1sc1[n+]2CCN1 27727814 NLOPEBLUSVLIIZ-UHFFFAOYSA-O 257.338 2.782 0 1 CFAF C[C@@H]1CC(C)(C)Nc2ccc(Cc3cnc(N)nc3N)cc21 29566055 CZIJDVCPKOMVRI-SNVBAGLBSA-N 297.406 2.930 0 1 CFAF CCCN1CCN2c3cccc4[nH]cc(c34)C[C@@H]2C1 118369239 WDTMSPNCLRUYLZ-CYBMUJFWSA-N 255.365 2.625 0 1 CFAF O=C1C[C@H](c2ccccc2)Oc2c(O)ccc(O)c21 2356830569 JJRIYFGZKRETII-CYBMUJFWSA-N 256.257 2.804 0 1 CFAF COc1ccc(-c2nn(C(C)C)c3ncnc(N)c23)cc1C 71294556 OROGNMYAIPBPKE-UHFFFAOYSA-N 297.362 2.973 0 1 CFAF c1cc[n+](CCCCCCC[n+]2ccccc2)cc1 49051528 SLZRUURKUVNJHO-UHFFFAOYSA-N 256.393 2.912 0 1 CFAF O=c1oc2c(O)cccc2cc1-c1ccc(O)cc1 71411280 HXOYIYQATHNBKZ-UHFFFAOYSA-N 254.241 2.871 0 1 CFAF O=c1ccc2cc(Oc3ccccc3O)c(O)cc2o1 83923202 ROIVNZAKYINAMF-UHFFFAOYSA-N 270.240 2.997 0 1 CFAF in-vitro Cn1c(COc2cc(Cl)cc(Cl)c2)cc(=O)n1C 95555716 DWIXLQNYTHDQHM-UHFFFAOYSA-N 287.146 2.610 0 1 CFAF O=C1C[C@@H](c2noc3ccccc23)C(=O)N1c1ccccc1 299829953 UBSRTJRIDRFKIV-ZDUSSCGKSA-N 292.294 2.875 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H]([C@H]1CCCO1)CC2=O 587494059 WTSCZQULJJNKMJ-HUUCEWRRSA-N 276.332 2.858 0 1 CFAF CC(=O)N[C@@H]1CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587511674 MXSLDFXVCQQBLS-AEFFLSMTSA-N 299.370 2.568 0 1 CFAF Cc1ccc(C)c2[nH]c([C@@H]3CC(=O)OC3(C)C)nc12 586908257 JNXQGCVQUQTJQO-JTQLQIEISA-N 258.321 2.989 0 1 CFAF CC[C@@H]1OCCC[C@@H]1c1nc2cc(OC)ncc2[nH]1 586914270 VAKMJMVVBIIZPV-CABZTGNLSA-N 261.325 2.639 0 1 CFAF N=c1cc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2c[nH]1 587161423 NSOGWSSZUCZUGA-QWRGUYRKSA-N 268.295 2.781 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CCSC1)O2 587415632 VZUNSOAAVXRVJI-TVQRCGJNSA-N 263.362 2.664 0 1 CFAF Cc1[nH]c2c(C)cc(Cl)cc2c1N(C)CCO 587624815 SXTDWYSMOKTOMO-UHFFFAOYSA-N 252.745 2.867 0 1 CFAF COc1ccc(-c2nc3ccnc(O)c3[nH]2)c(OC)c1C 587786190 DKBQBIOPLKAVNP-UHFFFAOYSA-N 285.303 2.656 0 1 CFAF Cc1cc(C)c2[nH]c(C[S@](=O)CC3CC3)nc2c1 586958382 DWZVZRPFBFAKAM-GOSISDBHSA-N 262.378 2.838 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](C)N(C3CC3)C1)O2 587396952 YAMKAKLAVNXLPN-PIGZYNQJSA-N 286.375 2.538 0 1 CFAF Clc1nccc2nc(CCOCC3CC3)[nH]c12 587783639 DDCHUVVVASPLHR-UHFFFAOYSA-N 251.717 2.580 0 1 CFAF Cc1nn(C)c(F)c1C(=O)c1coc2ccccc12 587280876 FLTOPIYLTDUSOK-UHFFFAOYSA-N 258.252 2.845 0 1 CFAF COc1cc(C2(c3nc4c(N)ccnc4[nH]3)CC2)ccc1C 587927633 UUTDLZRZSTVMHU-UHFFFAOYSA-N 294.358 2.937 0 1 CFAF CS(=O)(=O)c1ccc2nc(C3=CCCC3)[nH]c2c1 586883470 KAQRJPIBKLBBSL-UHFFFAOYSA-N 262.334 2.534 0 1 CFAF COc1cccc2c3c(cnc12)CCN[C@H]3CCCN(C)C 963047405 PHNGQOAPIWQKQD-HNNXBMFYSA-N 299.418 2.772 0 1 CFAF COc1cc2c(cc1O)O[C@@H]1c3ccc(O)cc3OC[C@H]21 14820542 NYGZYUAVZPIKBZ-BDJLRTHQSA-N 286.283 2.716 0 1 CFAF biogenic,in-vitro CN1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1 14969801 IHNVDNKBUNWNFQ-INIZCTEOSA-N 264.413 2.511 0 1 CFAF COC1=C[C@H](O)C=C[C@H]1CCCc1ccc(O)cc1 2356398506 TZHCDEGPZOHNRO-UKRRQHHQSA-N 260.333 2.792 0 1 CFAF CCC(=O)N1[C@@H]2CC[C@@H]1CN(C/C=C\c1ccccc1)C2 100349666 RKNSPEOBXHFNTD-REEAJDFCSA-N 284.403 2.785 0 1 CFAF in-man Cc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 113871907 KUGZYTXNSPFTBX-UHFFFAOYSA-N 272.300 2.927 0 1 CFAF COc1cc2c(cc1OC)C(=O)[C@@H](C(=O)c1ccco1)C2 101324028 JRUNVJHRMQLEIH-NSHDSACASA-N 286.283 2.535 0 1 CFAF C[C@@H](N/C(=C\[N+](=O)[O-])Nc1cccnc1)C(C)(C)C 100025111 JAXRVIXTMJVICB-QSARLWQPSA-N 264.329 2.593 0 1 CFAF CN1CCC(OC(=O)c2ccccc2Br)CC1 29312131 KQCLXTRCULPKEJ-UHFFFAOYSA-N 298.180 2.700 0 1 CFAF COc1cc(OC)c2c(O)c3c(cc2c1)C(=O)[C@H](C)OC3 2356649674 UOFWHQMYJLZYQW-QMMMGPOBSA-N 288.299 2.664 0 1 CFAF CC(C)n1nc(-c2ccc(C=O)c(F)c2)c2c(N)ncnc21 64503644 CMUZPNXYCOKJJJ-UHFFFAOYSA-N 299.309 2.608 0 1 CFAF COC(=O)C1=CCC[C@H]([C@]2(C)CC[C@H](C(C)(C)O)O2)C1 2356780778 GLZYRKYVXBYFCI-ZENOOKHLSA-N 282.380 2.595 0 1 CFAF COc1ccc([C@@H](C)[C@H](O)P(=O)(OC)OC)cc1 211058770 WONWCVKUYFRBFN-BXKDBHETSA-N 274.253 2.603 0 3 CFAF COC(=O)/C=C/c1cccc(Nc2ccccc2C(N)=O)c1 42922749 HUNMIQLXXMJMMT-MDZDMXLPSA-N 296.326 2.715 0 1 CFAF Cc1nc(Cl)c2ncn(-c3ccc(N(C)C)cc3)c2n1 82155468 SNEUKKSGGINZKK-UHFFFAOYSA-N 287.754 2.843 0 1 CFAF CC(=O)O[C@H]1[C@H]2CC[C@@H]3C[C@@H]2C2(SCCS2)[C@H]13 195478284 DREXMYSQNWWJKF-DGORSVRFSA-N 270.419 2.770 0 1 CFAF C[C@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)[C@@H]3CC[C@@](C)(O3)[C@H]21 238773995 RNZCIODIVSAJQF-FPOFAZKOSA-N 250.338 2.532 0 1 CFAF O=C(COc1cccc2c1NC(=O)CC2)Nc1ccccc1 95598352 ZZESUVZCJYSDET-UHFFFAOYSA-N 296.326 2.589 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)ccn1)O2 587384732 NVWQKQDNBPZSMG-CQSZACIVSA-N 272.279 2.818 0 1 CFAF O[C@H]1C[C@H](c2nc3cnccc3[nH]2)c2ccccc21 586904885 WDNRHMKWCTULIN-FZMZJTMJSA-N 251.289 2.527 0 1 CFAF O=[S@](Cc1nc2ccc(Cl)cc2[nH]1)CC1CC1 586958516 HTFVBPZZICNJCL-KRWDZBQOSA-N 268.769 2.875 0 1 CFAF Cc1c(Cl)ccc2nc([C@H](O)C(C)(C)CO)[nH]c12 586900246 BPWVSQFIWSLHCB-NSHDSACASA-N 268.744 2.577 0 1 CFAF Cc1cc2c(cc1F)[C@](c1cccs1)([C@H](C)O)NCC2 962297565 JWCPLJSFIAGVNY-ZBEGNZNMSA-N 291.391 2.966 0 1 CFAF COc1cccc2c(O)c(C(C)=O)c(SC)nc12 1857632497 VFFGDHWTHPXDTM-UHFFFAOYSA-N 263.318 2.874 0 1 CFAF CCOC(=O)c1cc2c([nH]c3ccccc32)c(C=O)n1 200318345 XLNFAVROEINGCT-UHFFFAOYSA-N 268.272 2.705 0 1 CFAF O/N=C/c1c(Cl)ncnc1NCc1ccccc1 205645661 INJVMJVGAXFFPN-REZTVBANSA-N 262.700 2.550 0 1 CFAF CCCSc1nsnc1O[C@@H]1CN2CCC[C@@H]1C2 13777615 XZSKFNOPUAZERB-NXEZZACHSA-N 285.438 2.513 0 1 CFAF O=Cc1c(O)ccc2cc(-c3cncnc3)ccc12 169699688 JWLRUVAQLRDEOV-UHFFFAOYSA-N 250.257 2.815 0 1 CFAF CN(CCc1cc2ncccc2[nH]1)C(=O)c1ccccc1 1857558461 GPWKANFNUHXEBX-UHFFFAOYSA-N 279.343 2.878 0 1 CFAF O=C(O)/C(O)=C/c1cc(OCc2ccc(F)cc2)ccn1 28649789 JLCSKPULRKPIQG-ZSOIEALJSA-N 289.262 2.783 0 1 CFAF CCC(=O)N(c1cccc(OC)c1)[C@@H]1CCC[C@@H]1N(C)C 28234068 FWNNUMIWBJBCEQ-JKSUJKDBSA-N 290.407 2.921 0 1 CFAF CN(C)CCC[C@@H]1CN(C)CCc2cc(Cl)c(O)cc21 27313360 TZWBHWCSLLOIOT-CYBMUJFWSA-N 296.842 2.959 0 1 CFAF CCC=CC[C@@H](C[C@@H]1CC=CC(=O)O1)OC(C)=O 2356477207 YKAIEQJKNLRONE-STQMWFEESA-N 252.310 2.536 0 1 CFAF C=C(F)C(=O)Nc1cc(C(=O)Nc2ccccc2)n(C)c1 29239344 CZFWHQPONYFKLO-UHFFFAOYSA-N 287.294 2.699 0 1 CFAF Nc1c(Cc2ccccc2)c2ccccc2[nH]c1=O 29342516 UOTOLNAMQMQSHR-UHFFFAOYSA-N 250.301 2.701 0 1 CFAF N=C(NCc1ccccc1)SCCCc1c[nH]cn1 38921602 YHOKBRMLDCDOSC-UHFFFAOYSA-N 274.393 2.800 0 1 CFAF CC[C@@H](C)CNc1nc(N2C[C@@H](C)O[C@H](C)C2)ncc1C 82203120 GEKUNPCPDHDKGG-MRVWCRGKSA-N 292.427 2.857 0 1 CFAF CC1(C)[C@@H]2CC[C@H]3CCC[C@H]4[C@@H](O)C(C(=O)O)=C(C2)[C@@]341 85549117 XJERJSQMJZUBLS-HJBTZDLDSA-N 276.376 2.985 0 1 CFAF biogenic,in-vitro CN(Cc1cnccn1)C[C@@H]1CCOc2ccccc2C1 95505660 MBSSNDSBHHHGMZ-CQSZACIVSA-N 283.375 2.550 0 1 CFAF CC[C@@H](C)NC(=O)c1nc(-c2ccccc2C)cnc1N 473097990 DXOYBZFPJQDSRW-LLVKDONJSA-N 284.363 2.563 0 1 CFAF CN1CCc2cc(N)ccc2[C@H](c2ccccc2)C1 299828076 GZCUMTDIYBMHMP-KRWDZBQOSA-N 252.361 2.889 0 1 CFAF CCCOC(=O)Cc1cc2c3c(cccc3n1)CC2 587212802 VMQLVXGRLRTFQP-UHFFFAOYSA-N 255.317 2.829 0 1 CFAF N=c1[nH]ccc2nc(CCc3cc4ccccc4o3)[nH]c12 586908533 RTIINSAUDOWGFR-UHFFFAOYSA-N 278.315 2.902 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@@H]1CCCCN1)O2 587398473 DEJCGCXYIXNTON-SJCJKPOMSA-N 288.391 2.833 0 1 CFAF CSc1ncc(-c2cc3c4c(cccc4n2)CC3)c(=N)[nH]1 587216614 HFFJNEKRPVKBLI-UHFFFAOYSA-N 294.383 2.925 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cc(N)ccc31)O2 587390658 PLOXTYSLGUXNLY-SFHVURJKSA-N 294.354 2.966 0 1 CFAF C[C@@]1([C@@H]2CCCCC2=O)NCCc2ccc(O)cc21 963328205 DZIWRKHWVMXGAH-CJNGLKHVSA-N 259.349 2.512 0 1 CFAF COc1cc(/C=C2\SC(=O)N(C)C2=O)c(Cl)cc1O 1857551435 NLLRROYKVIAJDC-WMZJFQQLSA-N 299.735 2.720 0 1 CFAF Fc1ccc(Cc2ccnc3c2CC[C@@H]2CNCCN32)cc1 1857754798 PUZQIEAXLJCDIM-MRXNPFEDSA-N 297.377 2.536 0 1 CFAF CC(=CCC[C@H](C)C(=O)O)[C@@H]1CC[C@](C)(O)[C@@H](OC=O)C1 2356414620 LVQWRRKTHOPOBM-FQLMCAECSA-N 298.379 2.526 0 1 CFAF C[C@H](C[N@@]1[C@H](O)C12CCCCC2)c1ccc(C=O)cc1 2356357855 LRYPDVQOINLYPR-QBIMZIAESA-N 273.376 2.940 0 1 CFAF CS(=O)(=O)c1ccc(-c2cncn2-c2ccccc2)cc1 53298537 CTAUFCXBMDHPHU-UHFFFAOYSA-N 298.367 2.943 0 1 CFAF CC(=O)Nc1ccc(F)c(-c2nc3ncccc3o2)c1 103271555 OEGLBJURHKPHCN-UHFFFAOYSA-N 271.251 2.987 0 1 CFAF Cc1cn(CCCNC(=O)c2ccc(Cl)s2)cn1 25988293 INODFSNODLMPSD-UHFFFAOYSA-N 283.784 2.727 0 1 CFAF CNC(=O)[C@@H](OC)c1ccccc1COCc1ccccc1 103177110 RWVGWQXQEUYQSY-KRWDZBQOSA-N 299.370 2.837 0 1 CFAF Oc1ccc(-c2n[nH]cc2-c2ccc3c(c2)OCO3)c(O)c1 45300115 FEKPKUBAVKWVAP-UHFFFAOYSA-N 296.282 2.884 0 1 CFAF CCC[C@H](O)CC(=O)CCc1ccc(N(C)C)cc1 1911578966 CAXSPBGDMVHEHQ-HNNXBMFYSA-N 263.381 2.805 0 1 CFAF O=C(CCc1ccccc1)Cn1nnnc1-c1ccccc1 89455790 RUOCHVWHFINDBB-UHFFFAOYSA-N 292.342 2.542 0 1 CFAF Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)nc1N[C@H](C)C(C)C 82203138 KZWYWIBYEKPNBK-MGPQQGTHSA-N 292.427 2.855 0 1 CFAF COC[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253695594 CCDRAFCULRDJSC-GKTNEGAQSA-N 268.353 2.628 0 1 CFAF CN(Cc1cccnc1)[C@@H]1[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@H]14 299845706 QHQJBDOHEUWLBB-VMVGGSQPSA-N 266.388 2.660 0 1 CFAF CCNC(=O)CCc1nc2ccc(Cl)c(C)c2[nH]1 587230410 INMMFOVBNVNQSQ-UHFFFAOYSA-N 265.744 2.593 0 1 CFAF CC(C)(CC(=O)O)Cc1nc2cc(Cl)ncc2[nH]1 587955185 HBOAIKGOCYEFPO-UHFFFAOYSA-N 267.716 2.655 0 1 CFAF Cc1nc(C2CC2)sc1-c1nc2ncc[nH]c-2n1 587013108 XDPGCTNQDRNGFS-UHFFFAOYSA-N 257.322 2.614 0 1 CFAF Clc1ccc(-c2nc3ncc[nH]c-3n2)nc1Cl 587084209 JKHWQPCZYZCTFS-UHFFFAOYSA-N 266.091 2.673 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3CC(=O)C[C@H]3C1)O2 587408955 RUHQKJKJRWHURJ-FTJFQDGESA-N 285.343 2.670 0 1 CFAF CC(=O)c1ccc2nc(C[C@@H]3CCC(=O)[C@H]3C)[nH]c2c1 587961974 HMXCCZQUIHPYMP-ONGXEEELSA-N 270.332 2.923 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cn1ccc(C)n1)O2 587391082 KKOLMCGGYIFZGH-MRXNPFEDSA-N 285.347 2.506 0 1 CFAF CCOc1cc(-c2cccc(F)c2)nn1CCN(C)C 587871869 OLTBKMWJJIEUMM-UHFFFAOYSA-N 277.343 2.650 0 1 CFAF COC1([C@H]2NCCc3ccc(O)cc32)CCCCC1 963329704 REUGWRAJTBNSAG-HNNXBMFYSA-N 261.365 2.928 0 1 CFAF C[C@H](CO)c1ccc2c(c1)OCc1ccccc1C2=O 169318604 IQHZNYCZSCDXAU-LLVKDONJSA-N 268.312 2.906 0 1 CFAF CCOC(=O)c1cn(CC)c2cc(Cl)ccc2c1=O 39235245 BCBQHGSVVUUSEW-UHFFFAOYSA-N 279.723 2.852 0 1 CFAF COC(=O)[C@@]1(NC(=O)c2ccccc2)C[C@H]1c1ccccc1 39378574 LGIDKESKAMWAIV-MAUKXSAKSA-N 295.338 2.516 0 1 CFAF Oc1cccc(C2=C[C@H](O)c3c(O)cccc3O2)c1 1857583646 ICNPNFUKWHAYLR-LBPRGKRZSA-N 256.257 2.565 0 1 CFAF COc1cc([C@H]2CC(=O)c3ccc(O)cc3O2)ccc1O 14806314 VSYNGSXKXHXJHX-CQSZACIVSA-N 286.283 2.813 0 1 CFAF CCOC(=O)[C@@H]1C(C)=NC(=O)N[C@H]1c1ccc(Cl)cc1 169700205 NCBIHQLXQNNRPV-NEPJUHHUSA-N 294.738 2.745 0 1 CFAF C[C@H]1C(=O)S[C@](C)(Cc2ccc(F)cc2)C1=O 169719256 SRLDZLRFVVSJBE-AMIZOPFISA-N 252.310 2.606 0 1 CFAF CC(=O)Nc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 21585 QUGIYNPEHBQZDU-UHFFFAOYSA-N 269.348 2.845 0 1 CFAF Cc1c(C(=O)N(C)C)c2ccc(Cl)cc2n1O 480554 UYKMHTXPRNXODJ-UHFFFAOYSA-N 252.701 2.542 0 3 CFAF CCO[C@]1(C)CC[C@H](C(C)C)[C@H](O)[C@@H]2[C@@H]1CC[C@]2(C)O 2356417333 YGOHZWXICDKWGL-LGNVQCELSA-N 284.440 2.986 0 1 CFAF C[C@]12CC[C@@H]3C4=CC(=O)C(=O)C=C4CC[C@H]3[C@@H]1CCC2=O 6067838 WFPLOQDPWXNOST-JPVZDGGYSA-N 284.355 2.796 0 1 CFAF endogenous,in-man O=C(O)c1cccc(-n2nc(-c3ccccc3)cc2O)c1 110084061 OAWKESDHBTZXLA-UHFFFAOYSA-N 280.283 2.943 0 1 CFAF CCN(C(=O)[C@]1(c2ccccc2)C[C@@H]1CN)C(C)(C)C 29127561 PNHQUTMNPCBPOX-PBHICJAKSA-N 274.408 2.550 0 1 CFAF COC(=O)Nc1cc(N)c2c(c1)NCC(c1ccccc1)=N2 26833337 PTOVBCWKFUINHS-UHFFFAOYSA-N 296.330 2.993 0 1 CFAF O=C(O)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O 45350081 IMEPWKAOCVIIBH-UHFFFAOYSA-N 297.285 2.887 0 1 CFAF C[C@@H]1NCCCN(c2ccc3ccccc3c2)C1=O 145632592 WYRFRMLLNNWZHF-LBPRGKRZSA-N 254.333 2.555 0 1 CFAF CC(=O)CC[C@H]1CC[C@]2(CCCN(C(=O)C(C)(C)C)C2)O1 96019022 WDTWZTCVOYVDDI-YOEHRIQHSA-N 295.423 2.942 0 3 CFAF O=C(/C=C/C=C/c1ccc2ccccc2c1)NCCO 473248905 QYOBROHKSSZKAX-LZSLGQGWSA-N 267.328 2.518 0 1 CFAF COC(=O)c1cc(/C=C/c2cc(O)cc(O)c2)ccc1O 653805781 NPNITAUBTSROKF-NSCUHMNNSA-N 286.283 2.760 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(N)cc1)[C@@H](C2)C3=O 587433483 RAFUTZCNEBBCTP-KBXCAEBGSA-N 295.338 2.940 0 1 CFAF CC[C@]1(C)C[C@@H]1c1nc2c(S)nc(S)nc2[nH]1 586887186 FJWVECKYSVDQFN-BLTYZCFWSA-N 266.395 2.834 0 1 CFAF CC[C@@]1(C)C[C@H]1c1nc2c(S)nc(S)nc2[nH]1 586887192 FJWVECKYSVDQFN-DYEAUMGKSA-N 266.395 2.834 0 1 CFAF C[C@@H](F)[C@@H](N)c1nc2ccc(Br)cc2[nH]1 587122147 BKFKAHCGVHXXIN-MLUIRONXSA-N 272.121 2.683 0 1 CFAF CC(=O)c1ccc2nc(-c3cnc(Cl)nc3)[nH]c2c1 587085739 DYUKKEZIHPOFOO-UHFFFAOYSA-N 272.695 2.876 0 1 CFAF CCCn1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587392962 YHAZAIOJPLPZNC-OAHLLOKOSA-N 285.347 2.890 0 1 CFAF COc1cccc2c1C=[N+](c1ccc(O)cc1)CC2 1772577539 GCBVXKHGKAUOMO-UHFFFAOYSA-O 254.309 2.720 0 1 CFAF CCCC(=O)Nc1n[nH]c2ncc(-c3ccncc3)cc12 13489649 RMFBRVNMUBERNS-UHFFFAOYSA-N 281.319 2.759 0 1 CFAF CCCc1cc(=O)c2c(CC(=O)C[C@H](C)O)cccc2o1 14650437 RNGDSOLGWNOHCR-NSHDSACASA-N 288.343 2.628 0 1 CFAF COc1cccc2c1[C@]13CCN(C)[C@@H](C2)[C@@H]1CCC(=O)C3 169305338 IADSKKCDIYLTIM-MPGHIAIKSA-N 285.387 2.562 0 1 CFAF CCN(CCN=c1[nH]c2ccccc2[nH]1)Cc1ccccc1 1857533795 NQLTWRHSTSLZEA-UHFFFAOYSA-N 294.402 2.919 0 1 CFAF Nn1c(S[C@H]2CCCCC2=O)nnc1C1CCCCC1 3338066 UWQFWNXFPDQXPZ-LBPRGKRZSA-N 294.424 2.643 0 1 CFAF CSc1nc([C@H](C)c2c(F)cccc2F)cc(=O)[nH]1 13474561 JWDXPGJOYVEABS-ZETCQYMHSA-N 282.315 2.922 0 1 CFAF CC1=C[C@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@H]2[C@H](C)CN3C 2356426272 SPLMGOUKRILOLN-YIFBXAAPSA-N 270.376 2.703 0 1 CFAF C[C@H](CCNC(=O)c1ccc(Cl)s1)n1ccnc1 25988504 SNLDUIZZNSOKDG-SECBINFHSA-N 283.784 2.979 0 1 CFAF COC[C@H]1Cc2c(n(C)c3ccccc23)[C@@H]2CCCC(=O)N21 73277403 FRCJHBNWAJWJPT-WBMJQRKESA-N 298.386 2.803 0 1 CFAF CC(=O)N1Cc2ccc(N)cc2CCc2ccccc21 36311179 AMDWNAYTRGSIOI-UHFFFAOYSA-N 266.344 2.921 0 1 CFAF O=C(CCCc1ccccc1)C(=O)NCCc1ccccc1 1911582131 HAOXGZIOJIHAMB-UHFFFAOYSA-N 295.382 2.937 0 1 CFAF CCCCCCC(=O)Nc1cc(CO)cc(C(=O)OC)c1 40957865 WSHQUIOUTOEYJO-UHFFFAOYSA-N 293.363 2.874 0 1 CFAF CNC[C@]1(O)Cc2ccccc2[C@H]1Cc1ccccc1C 40836216 IOEFEBQWPLLQHN-RTBURBONSA-N 281.399 2.828 0 1 CFAF C[C@H]1O[C@H](C2CCCC2)CC2=C1C(=O)OC(C)(C)O2 199212760 DFLAZOXUZAUZAV-KOLCDFICSA-N 266.337 2.918 0 3 CFAF O=C1O[C@@]2(Oc3cc4c(cc3C2=O)CCC4)c2ccccc21 95587293 DEXLUJVDWVRYCD-SFHVURJKSA-N 292.290 2.774 0 1 CFAF CCC[C@@H]1[C@@H](C)C[C@](O)(CC)[C@H]1[C@]1(CC)OC(=O)C[C@@H]1O 95586225 BSZWGEKCCWIUCC-FGBAQLTPSA-N 298.423 2.656 0 1 CFAF CCCN1CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2 587393433 IJRLFAUXZMAOEB-UHFFFAOYSA-N 288.391 2.787 0 1 CFAF Cc1cc2c(O)nc(O)nc2nc1-c1ccc(F)cc1F 587368615 SUXKUKOQLMGVNR-UHFFFAOYSA-N 289.241 2.690 0 1 CFAF O[C@H]1C[C@H](c2nc3cnc(Cl)[nH]c-3n2)c2ccccc21 586903840 QKBWIQMWAVTGCS-ONGXEEELSA-N 286.722 2.527 0 1 CFAF COc1nccc2nc(CCc3ccccc3F)[nH]c12 587149247 JBCWQTKLNQHIJW-UHFFFAOYSA-N 271.295 2.891 0 1 CFAF Cc1nc(C)c(Cc2nc3c(Cl)ncnc3[nH]2)s1 587012747 UCHVOIRZNPQXQP-UHFFFAOYSA-N 279.756 2.670 0 1 CFAF Cc1ccnc2c1CCN[C@]2(C)C1C[C@@H]2CC[C@H](C1)C2N 963072873 OTJRMZJKHKIYQP-BLTPXWTPSA-N 285.435 2.514 0 1 CFAF CC[C@@H]1C[N@]1P(=O)(c1ccccc1)[N@@]1C[C@H]1CC 1857623024 KAEOCOTWIGBXJT-VDERGJSUSA-N 264.309 2.693 0 1 CFAF O=S(=O)(c1cc(F)c(O)c2ncccc12)C1CCCC1 1857633638 IVFUTUMPNJJQAQ-UHFFFAOYSA-N 295.335 2.796 0 1 CFAF Cc1cccc(/C=C/c2ccc(C3=NNC(=O)CO3)cc2)c1 1772582265 YRTLIEDZKFHEJW-AATRIKPKSA-N 292.338 2.973 0 1 CFAF CC(C)(O)c1cncc(-n2ncc3c(F)ccc(F)c32)c1 1772638297 IRQIUOHFOMFUET-UHFFFAOYSA-N 289.285 2.926 0 1 CFAF COc1cc(C)c(C(=O)Oc2cc(C)cc(O)c2)c(O)c1 5924289 RPUWQDZDUXRDFN-UHFFFAOYSA-N 288.299 2.942 0 1 CFAF C[C@@H]1CCC[C@H](NC(=O)Cn2cc3c(n2)CCCC3)[C@@H]1C 5147303 QJQZQVNDYFHFLT-NFAWXSAZSA-N 289.423 2.703 0 1 CFAF FC(F)[C@@H]1Cc2ccc(C(F)(F)F)cc2CN1 13686866 YJPNCPSOYFPBLF-VIFPVBQESA-N 251.198 2.985 0 1 CFAF O=C1[C@H]2CC=CC[C@H]2C(=O)C12CCc1ccccc12 17189225 UJUMWICRKXFWGH-MPYYAJLASA-N 252.313 2.605 0 1 CFAF CCCCN1C[C@H](N(C)c2ncnc3[nH]ccc23)C2(CC2)C1 1857656174 GNHJYSKWNQBQKV-AWEZNQCLSA-N 299.422 2.659 0 1 CFAF CC(C)n1ccnc1C[C@@H]1COc2ccccc2O1 27737919 JPGOAMYWRDUQOC-GFCCVEGCSA-N 258.321 2.847 0 1 CFAF CCOC(=O)[C@H]1CCSc2nc(C)cc(C)c2C1=O 103181371 WITJXGBDOTZVRL-JTQLQIEISA-N 279.361 2.556 0 1 CFAF O=C(c1ccc(F)cc1)c1ccc2n1CCC[C@@H]2C(=O)O 25994352 NNSHWCRKHYPRTN-LBPRGKRZSA-N 287.290 2.820 0 1 CFAF Cc1ccc(-c2nnc3c([n+]2[O-])C(C)(C)OC3(C)C)cc1C 27553052 LPTKLXXDDLKXCS-UHFFFAOYSA-N 299.374 2.894 0 1 CFAF COc1cccc(Cn2c(=O)oc3cc(C)ccc32)c1 64539804 HUVXADQIVAIRRB-UHFFFAOYSA-N 269.300 2.960 0 1 CFAF COc1cc(C=CC(=O)OCCC(=O)C(C)C)ccc1O 2356768951 YECDLTAFOWIJBS-UHFFFAOYSA-N 292.331 2.572 0 1 CFAF CCNC1CN([C@H]2c3ccccc3COc3ccccc32)C1 39236473 FCIVANGZCVWPNQ-IBGZPJMESA-N 294.398 2.962 0 1 CFAF COc1ccc([C@@H]2CC(=O)Oc3c(O)cc(O)cc32)cc1 1911580010 WPDXGRAJEYQZGH-LBPRGKRZSA-N 286.283 2.547 0 1 CFAF O=C1Nc2ncccc2N[C@@H]1Cc1c[nH]c2ccccc12 95920898 DNASGFXXJPEUMJ-CQSZACIVSA-N 278.315 2.538 0 1 CFAF in-vitro CCCCN1CC[C@@]2(C1)O[C@H](OC)Cc1ccccc12 261184456 WXYGKEYRLBEHNW-IRXDYDNUSA-N 275.392 2.933 0 1 CFAF CO[P@]1(=O)OCCC(C(=O)OC(C)(C)C)=C(C)O1 653765522 IEEPPPIAKVRUBJ-GOSISDBHSA-N 278.241 2.794 0 1 CFAF CC1(C)OC(=O)C[C@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 586906133 BUQGAAOEPSZAJV-YFKPBYRVSA-N 284.237 2.789 0 1 CFAF CC[C@]1(c2ccnn2C)CC(=O)c2cc(C)cc(N)c2O1 587391947 PKFDBXBRXBAOFX-MRXNPFEDSA-N 285.347 2.581 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccccc1C=O)[C@@H](C2)C3=O 587446008 RDMCVHYNWPTFQR-KBXCAEBGSA-N 294.306 2.996 0 1 CFAF CCCc1c(O)ccc2c1O[C@@]1(CCNC[C@H]1C)CC2=O 587485631 PTQZSZJTJBGFAH-DIFFPNOSSA-N 289.375 2.678 0 1 CFAF Cc1cc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)on1 587874749 JOHZQLBKTXTUHE-UHFFFAOYSA-N 285.234 2.780 0 1 CFAF Nc1ncccc1Cc1nc2c(Cl)c(Cl)cnc2[nH]1 587254347 RPHVUSRDSPPYGW-UHFFFAOYSA-N 294.145 2.833 0 1 CFAF COc1nccc2nc(-c3cnc(Cl)s3)[nH]c12 587023869 VWCCUYFUMBKZON-UHFFFAOYSA-N 266.713 2.743 0 1 CFAF CNc1c(F)cccc1-c1nc2cc(F)cnc2[nH]1 587135503 DWILQZYEKOMSII-UHFFFAOYSA-N 260.247 2.945 0 1 CFAF COc1ccc2c(c1)C[C@@H](c1nc3c(N)ccnc3[nH]1)CC2 587947063 RFQPDEBEPJJQTB-NSHDSACASA-N 294.358 2.821 0 1 CFAF COc1cc2nc(-c3cnc(Cl)nc3)[nH]c2cc1F 587085945 PLYRTNOHFVPHBE-UHFFFAOYSA-N 278.674 2.821 0 1 CFAF OCCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586894442 FUPYPTRXNUAVFL-UHFFFAOYSA-N 264.634 2.770 0 1 CFAF COC(=O)c1cccc(-n2cc(-c3ccccc3)nn2)c1 81088250 ZMVNUBPBCUFKMA-UHFFFAOYSA-N 279.299 2.721 0 1 CFAF CNc1nc2ccccc2n2ncc(Br)c12 1857641244 KNTRYXGTYAPEGV-UHFFFAOYSA-N 277.125 2.687 0 1 CFAF Oc1nc(C2CCC2)c2cc(-c3cc[nH]n3)ccc2n1 1772588175 VDXFAKMPSWKNIY-UHFFFAOYSA-N 266.304 2.993 0 1 CFAF CC[C@@H]1CO/C(=C(\C(Cl)=C(Cl)Cl)[N+](=O)[O-])N1 4301249 XKDCHFULABXDBT-VYTCAAEZSA-N 287.530 2.716 0 3 CFAF CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1 13136107 FHFDNSMSVKYGND-UPUJQMMVSA-N 295.338 2.591 0 1 CFAF CCN1CCO[C@@H]2Cc3c(SC)ccc(OC)c3C[C@H]21 13449150 CINPNDZUZZNLRF-UKRRQHHQSA-N 293.432 2.605 0 1 CFAF C[C@H]1CN(C(=N)S)N=C1c1cccc(Br)c1 13474225 TUTYQOJCTUPRCE-ZETCQYMHSA-N 298.209 2.969 0 1 CFAF COc1cc(CCc2cccc(O)c2)c(O)c(OC)c1 14505336 KFZSPLBNNZKAHQ-UHFFFAOYSA-N 274.316 2.900 0 1 CFAF CCOC(=O)[C@@H]1Nc2c(OC)cccc2[C@@H]2OCCC[C@@H]12 169295826 PVCMGXZBXILJJN-GLQYFDAESA-N 291.347 2.520 0 1 CFAF O=c1c2ccccc2sn1Cc1ccc2c(c1)OCO2 169327067 UXGNWYRZVRXOMT-UHFFFAOYSA-N 285.324 2.840 0 1 CFAF CCOC(=O)[C@@H]1C(C)=NC(=S)N[C@@H]1c1ccc(C)cc1 169700215 HLVSTRRTAQUYKT-CHWSQXEVSA-N 290.388 2.564 0 1 CFAF CC[C@@H](C)Nc1nc(C)nc2c1nnn2Cc1ccccc1 201489114 NJERHJVLOODWPH-LLVKDONJSA-N 296.378 2.788 0 3 CFAF O=C1CNCC(F)(F)CN1c1ccc(Cl)c(Cl)c1 205367817 QIYRUFLMRHJHLE-UHFFFAOYSA-N 295.116 2.565 0 1 CFAF Oc1cccc(-c2nnc3ccc(-c4ncco4)cn23)c1 1857597603 JMDAWZVNFKHXAS-UHFFFAOYSA-N 278.271 2.757 0 1 CFAF COc1ccc2c(c1)OC[C@H](Cc1ccc(O)cc1)C2=O 1857641919 VBAZQSKJSIAOCB-LBPRGKRZSA-N 284.311 2.835 0 1 CFAF CC(=O)N1[C@H](Nc2nccs2)CCN1c1ccccc1 1636380 NAOPKPXOCNQGOB-ZDUSSCGKSA-N 288.376 2.555 0 1 CFAF O=C(NC1CCCC1)c1cc(-c2ccc(O)cc2)on1 3907734 UQYKLLXHDOMVBG-UHFFFAOYSA-N 272.304 2.720 0 1 CFAF C[C@H](N[C@H](C)[C@@H](O)c1ccccc1)[C@H](O)c1ccccc1 4592739 GANRUCIRGABLHS-MHGIMSBQSA-N 285.387 2.820 0 1 CFAF COc1cc(C=CC(=O)N2C=CCCC2)cc2c1OCO2 2356284316 WUIWHWLEHLXJEI-UHFFFAOYSA-N 287.315 2.573 0 1 CFAF CCCOc1[nH]cnc2c3cc(OC)ccc3nc1-2 101479597 ILNSVFIBSASUGJ-UHFFFAOYSA-N 257.293 2.860 0 1 CFAF CN(C(=O)[C@@]12C[C@H]1C(=O)c1ccccc1O2)c1ccccc1 101478476 MTIBTLMVJDLQSG-KBXCAEBGSA-N 293.322 2.683 0 1 CFAF O=C1CCCC[C@H]1n1cc(-c2ccc(F)cc2)nn1 66262750 OGSHFJQMRRXKSF-CYBMUJFWSA-N 259.284 2.768 0 1 CFAF Cc1ccc2c(=O)[nH]c3c(c2c1)[C@@H](O)c1ccccc1-3 28955628 VBPFMYGRDOJEGP-INIZCTEOSA-N 263.296 2.899 0 1 CFAF CCCCC[C@]1(C2=NCCN2)Cc2ccccc2O1 27645269 BDBXIMFUYSLOAH-MRXNPFEDSA-N 258.365 2.942 0 1 CFAF COC(=O)C1=C[C@@H]2[C@H](O)C(C)(C)C[C@]23[C@H](C)CC[C@@H]13 2356748163 ZOFNLFXDQSATBP-WCXATKCASA-N 264.365 2.539 0 1 CFAF O=C(O)[C@@H]1CCN(c2c(Cl)cccc2Cl)C1 1911583320 AOXHVTUDEUTZHY-SSDOTTSWSA-N 260.120 2.904 0 1 CFAF O=C(c1ccccc1)c1cc2cccc(O)c2oc1=O 72114444 GHSHPXGUHBVDRU-UHFFFAOYSA-N 266.252 2.730 0 1 CFAF CCN(CC)CCN1CCN(c2cccc(Cl)c2)C1=O 43078052 ZPZJOEGHLORCHV-UHFFFAOYSA-N 295.814 2.924 0 1 CFAF CC(C)[C@H](NC(=O)c1ccccc1)C(=O)c1ccc(N)cc1 84671608 KBBKRZFTBKEACX-INIZCTEOSA-N 296.370 2.906 0 1 CFAF Nc1c(-c2ccc(C(F)(F)F)cc2)nc2ncccn12 95605435 UYIOQIAIFBRTHP-UHFFFAOYSA-N 278.237 2.997 0 3 CFAF CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)/C=C\c1ccccc1)C2 238738028 WTIWQHQPUWFUPX-QTAOSREISA-N 271.360 2.868 0 1 CFAF Cc1cc(C)c(C(N)=O)c(N=c2cc[nH]c3ccccc23)n1 621431379 XSFRNVZYIZCGDR-UHFFFAOYSA-N 292.342 2.511 0 1 CFAF CCC[C@H]1CN(CC(C)C)C(=O)c2cccnc2O1 299852730 WTLWWADJOAIJDZ-LBPRGKRZSA-N 262.353 2.741 0 1 CFAF CSc1ccc(-c2cc(CN)nc3ccnn23)cc1 299844659 OOCRSLOUKGHZJO-UHFFFAOYSA-N 270.361 2.577 0 1 CFAF Cc1ccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2n1 587177393 HINCBAIIJREEEQ-UHFFFAOYSA-N 267.267 2.949 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccc(F)c(N)c1)[C@@H](C2)C3=O 587424889 XGGZKAAIQNYVKZ-APPDUMDISA-N 299.301 2.905 0 1 CFAF COc1ccc(CCCc2nc3cncnc3[nH]2)c(OC)c1 587929275 UPDCYELHIAWVBC-UHFFFAOYSA-N 298.346 2.545 0 1 CFAF COc1cc2nc([C@H](N)[C@H](C)F)[nH]c2cc1Cl 587125543 SFUCRRRVZPPDGS-XUOSJQGZSA-N 257.696 2.583 0 1 CFAF COC(=O)/C(=C/c1ccccc1)CCCCP(=O)(O)O 1857764743 PFSRMJFSCQVLIF-ACCUITESSA-N 298.275 2.591 0 1 CFAF Nc1ncnc2c1c(-c1ccccc1)cn2[C@H]1CC[C@@H](O)C1 13911095 VISDQUKQUGPQNV-QWHCGFSZSA-N 294.358 2.766 0 1 CFAF CCN(C)C(=O)Oc1ccc2c(c1)NC[C@H]2CCN(C)C 169329572 UYYWQSJKMPSFDU-GFCCVEGCSA-N 291.395 2.598 0 1 CFAF Nc1ncnn2ccc(-c3ccnn3C3CCCCC3)c12 1857609975 PZOSGSMLROCJNB-UHFFFAOYSA-N 282.351 2.680 0 1 CFAF CCc1ccc(/C=C/c2ccc3[nH]c(=N)[nH]c(=N)c3n2)cc1 1857628509 DXIRDJAQBWKHLG-BQYQJAHWSA-N 291.358 2.583 0 1 CFAF O=[S@]1c2ccccc2SN1c1ccc2c(c1)OCO2 6583382 CHLNGHNJFWAWRU-LJQANCHMSA-N 291.353 2.965 0 1 CFAF C[C@@H](O)c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 13731879 PSVDVBKNSYJLGX-LLVKDONJSA-N 256.349 2.940 0 1 CFAF C[C@H](C(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CCC(=O)NC3=CC[C@@]12C 2356438776 RXYKCVVRCSCETH-ZKVGZHBLSA-N 277.364 2.553 0 1 CFAF O=S1(=O)c2ccccc2N=C(S)N1c1ccccc1 6581172 YCBBXWZYJWGATP-UHFFFAOYSA-N 290.369 2.813 0 1 CFAF Cc1ccc2onc(CNC(=O)Nc3cccnc3)c2c1 6866152 XAGVSUGWSOIHTJ-UHFFFAOYSA-N 282.303 2.853 0 1 CFAF COC(=O)c1cccc2[nH]c(-c3ccc(N)cc3)nc12 27416250 RGHPJRXKVLGWSX-UHFFFAOYSA-N 267.288 2.599 0 1 CFAF O=C(c1c(F)cccc1F)c1ccc2n1CC[C@@H]2C(=O)O 25994980 GPRHPDLCHYSCIN-QMMMGPOBSA-N 291.253 2.569 0 1 CFAF c1ccc(CCN[C@H]2[C@H]3[C@H]4C[C@H]5[C@@H]6[C@H]4C[C@H]3[C@H]6[C@@H]52)cc1 101699923 KBAKPEFQDPCCTP-JEMXCJMJSA-N 265.400 2.965 0 1 CFAF COc1cc2c3c(c1OC)-c1ccc(O)cc1C[C@H]3NCC2 2356565441 WQYRUUGIYJHJNM-CQSZACIVSA-N 297.354 2.819 0 1 CFAF Cc1nc(C)c(Cc2nc3cc4c(cc3[nH]2)OCO4)s1 587011546 LIYQQFBBGVCAAM-UHFFFAOYSA-N 287.344 2.956 0 1 CFAF COC(=O)C[C@H](C)Cc1nc2cc(OC)c(Cl)cc2[nH]1 587783444 RGWKZRHICSRXTI-MRVPVSSYSA-N 296.754 2.967 0 1 CFAF COc1cc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2cn1 586900443 CBXFCSQOWMGFAU-BXUZGUMPSA-N 281.315 2.536 0 1 CFAF FC(F)(F)[C@H]1C[C@@H]1c1nc2cnc(Cl)[nH]c-2n1 587093776 UCSFWGPFZFUCBR-IMJSIDKUSA-N 262.622 2.624 0 1 CFAF N=c1[nH]ccc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c12 587095305 CKLVXGJOGDEAJQ-UHFFFAOYSA-N 293.252 2.638 0 1 CFAF Cc1ccc(/C=C/c2nc3cnncc3[nH]2)cc1F 587146425 LKCAZQKQGRLNPB-SNAWJCMRSA-N 254.268 2.971 0 1 CFAF O=C(O)c1cc(F)cc2nc(-c3cccc(CO)c3)[nH]c12 586895201 UHXKYAGCASTQOW-UHFFFAOYSA-N 286.262 2.560 0 1 CFAF O=C(O)c1cnc(Cl)nc1Oc1cccc2ocnc12 1857769768 GBOBEDOXAWSVIB-UHFFFAOYSA-N 291.650 2.762 0 1 CFAF Nc1c2c(nc3nn(-c4ccccc4)cc13)CCCC2 13493866 RNSAESUFHDRKBI-UHFFFAOYSA-N 264.332 2.882 0 1 CFAF C[C@H](Oc1ccccc1-c1cccc(N)c1)C1=NCCN1 13585602 YVSAGYHRJDVYHG-LBPRGKRZSA-N 281.359 2.705 0 1 CFAF NC(=O)N(O)[C@@H]1CCn2c1cc1cc(Cl)ccc12 13760623 XQLXJCWYHPATMY-SNVBAGLBSA-N 265.700 2.509 0 1 CFAF COc1ccc([C@@H](CN)c2ccccc2)cc1OC 19674992 XSISDRAMELXUIY-AWEZNQCLSA-N 257.333 2.794 0 1 CFAF COc1ccc(-c2nc(=N)[nH]c3c2C[C@@H](C)CC3)cc1 1857584368 NYQVUBZULKNKET-JTQLQIEISA-N 269.348 2.690 0 1 CFAF COc1ccc2[nH]c(C(=O)c3ccccc3N)cc2c1 13470993 QUAPEDJVSLHGPI-UHFFFAOYSA-N 266.300 2.990 0 1 CFAF Clc1ccc(-n2ncnc2-c2cccnc2)cc1 218652 WUXGDIFDEBYJPH-UHFFFAOYSA-N 256.696 2.983 0 1 CFAF CNc1ccc(OC)cc1-c1nc2ccccc2n(C)c1=O 1512410 AGWQLDMUTXNZEU-UHFFFAOYSA-N 295.342 2.651 0 1 CFAF CC1(C)CCC[C@@H]2[C@@H](CC(=O)O)C(CO)=CC[C@H]21 2356329347 BQGCOWVVISEYKL-FRRDWIJNSA-N 252.354 2.842 0 1 CFAF COC(=O)Oc1cc2cc(OC)c(OC)cc2c(C)n1 28768076 KTRNSYRGOBWFKU-UHFFFAOYSA-N 277.276 2.706 0 1 CFAF COc1cc2c(cc1O)C[C@H](c1ccc(O)cc1)CO2 64573454 KDIYAZRSFVGPKY-LBPRGKRZSA-N 272.300 2.825 0 1 CFAF O=C1Nc2ccc(CCc3ccccc3)cc2C1=O 66156673 FCTQZOHOVPUDAK-UHFFFAOYSA-N 251.285 2.607 0 1 CFAF CC[C@@H]1Cc2cc(OCC(=O)O)c(Cl)cc2C1=O 60231882 LTEHYMYKSJXUJF-SSDOTTSWSA-N 268.696 2.568 0 1 CFAF N[C@@H]1Cc2c3n(c4cccc(O)c24)C(=O)C[C@@H]2CCC[C@H]1[C@H]32 38439881 OECDXEBJRAHXDW-JSKSWSIUSA-N 296.370 2.774 0 1 CFAF in-vitro c1cc(Nc2nc3c(s2)CCc2n[nH]cc2-3)ccn1 72114365 FWQQWRMZPAVZRS-UHFFFAOYSA-N 269.333 2.770 0 1 CFAF CCSc1ccc(-c2nc(SCC(=O)O)n[nH]2)cc1 219726761 MKTYHOAYADIYTD-UHFFFAOYSA-N 295.389 2.760 0 1 CFAF Cc1cc(Nc2cccc(Cl)c2)n2nc(O)nc2n1 73315278 ZRGOBIQYHCSAIL-UHFFFAOYSA-N 275.699 2.535 0 1 CFAF Cc1cc(-n2ccnc2C)nc(N(C)Cc2ccccc2)n1 40567045 LSKHYXAQWGXYIY-UHFFFAOYSA-N 293.374 2.916 0 1 CFAF CSc1nc(N)c(C)c(C(=O)CCc2ccccc2)n1 40954309 GTPRBEBOBFGIIV-UHFFFAOYSA-N 287.388 2.905 0 1 CFAF COc1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)nn1 587874986 KZNLSOJEWHOCQZ-UHFFFAOYSA-N 284.250 2.583 0 1 CFAF COc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 587393267 DMSKGNXPLVEUTK-CQSZACIVSA-N 284.315 2.687 0 1 CFAF O=C(O)c1cccc2nc(COc3ccc(F)cc3)[nH]c12 587169162 UVBGHNVIMLJJKH-UHFFFAOYSA-N 286.262 2.979 0 1 CFAF CCCCC[C@H](C(C)=O)c1ccc2c(O)nc(O)nc2n1 587561936 WUIHNJVNYQYDSS-SNVBAGLBSA-N 289.335 2.689 0 1 CFAF O=C1CCC[C@H](c2nc3c(Cl)ncnc3[nH]2)CC1 586883405 CALUDQMNSHABDI-ZETCQYMHSA-N 264.716 2.623 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(CCCC[C@@H]1OC)[C@@H](C2)C3=O 587441357 GIJQMZVFQXNQGD-JDFRZJQESA-N 288.343 2.770 0 1 CFAF Cc1cc(C)c2[nH]c(CNC(=O)c3cscn3)nc2c1 587028560 RVRZDVCHWMPWCR-UHFFFAOYSA-N 286.360 2.566 0 1 CFAF CCOC(=O)C[C@]1(CC)CC(=O)c2cc(C)cc(N)c2O1 587400866 SBTUDGKYDYORPQ-INIZCTEOSA-N 291.347 2.644 0 1 CFAF CCc1ccc2nc([C@H](NC)c3cccnc3)[nH]c2c1 587226365 PQTLHWGCNVONRB-OAHLLOKOSA-N 266.348 2.829 0 1 CFAF COc1cc2c3c(c1)O[C@H](CCCC[C@H](C)O)[C@@H](C2)C3=O 587451785 RJVBZPVLVMYIEJ-ZLKJLUDKSA-N 290.359 2.752 0 1 CFAF CCCc1sc(=N)[nH]c1-c1nc2ccc(C)nc2[nH]1 587013683 WUYLJZBWOAXHGA-UHFFFAOYSA-N 273.365 2.755 0 1 CFAF CC(C)c1nn(C)c2c1[C@H](c1ccccc1C=O)NCC2 962915657 ARTZJMHUDMAXRU-KRWDZBQOSA-N 283.375 2.591 0 1 CFAF Cc1ccc(CSc2ccc(S(N)(=O)=O)s2)cc1 1772606251 WEHHDTIKPDFLTK-UHFFFAOYSA-N 299.442 2.996 0 1 CFAF CNc1cc(-c2ccc(F)cc2)sc1C(N)=O 13686718 SULJIRXHWLGDPH-UHFFFAOYSA-N 250.298 2.695 0 1 CFAF CCC(=O)NC[C@@H]1CCc2c1c1ccccc1n2C 13777845 QCDSCNPIXVQLJK-NSHDSACASA-N 256.349 2.734 0 1 CFAF O=C(Sc1ncccn1)c1cc2ccccc2oc1=O 169325583 DRZUHKSYROYCLS-UHFFFAOYSA-N 284.296 2.516 0 1 CFAF CC1(C)OC(C)(C)C(=O)N(Cc2ccc(Cl)cc2)C1=O 169344264 VZECFLRSZVLAQS-UHFFFAOYSA-N 295.766 2.783 0 1 CFAF Cc1ccc(-c2cncc(C(=O)[C@@H]3CCN(C)C3=O)c2)cc1 205747576 BBQLZEVUFAEUTL-INIZCTEOSA-N 294.354 2.718 0 1 CFAF CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 13473533 ZYLMLCDVOSWUMF-ZIAGYGMSSA-N 285.384 2.790 0 1 CFAF C/C=C1\[C@H]2C=C(C(F)(F)F)C[C@@]1(N)c1ccc(O)nc1C2 101215994 WPUFLGDKDRHMHB-MBKXCTFPSA-N 296.292 2.952 0 1 CFAF CCCCC(=O)c1c(C=O)cc(OC)cc1OC 28821231 RKBRKRDHJNZKPR-UHFFFAOYSA-N 250.294 2.889 0 1 CFAF CC(=O)OCC(C)=CCC[C@](C)(O)[C@@H]1CC[C@](C)(O)[C@H]1C 2356804100 AARBOKSNAGDJKW-ORQFMDKSSA-N 298.423 2.824 0 1 CFAF CN(C)CCn1c2c(c3ccccc31)C[C@@H](N(C)C)CC2 39214009 HDKDUMNJNQHCRN-AWEZNQCLSA-N 285.435 2.622 0 1 CFAF Nc1nc(N)nc(-c2ccc(Sc3ccccc3)cc2)n1 139434628 JDZMWANIXJLYCP-UHFFFAOYSA-N 295.371 2.854 0 1 CFAF Nc1cccc(Nc2nc(-c3cccnc3)c[nH]2)c1 40421583 UUOGISXVVLHEHX-UHFFFAOYSA-N 251.293 2.798 0 1 CFAF O=C1C=C2C(c3ccco3)=C[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31 653887624 YCWBHYWRVSRUKI-JGFGOQIWSA-N 283.327 2.525 0 1 CFAF Cc1cnc2[nH]c([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)nc2c1 587968344 AMGJDAWGVXOUDA-NVSAGUJYSA-N 281.359 2.913 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c(N)cccc31)O2 587391032 RLLGPQJZYGTPGB-SFHVURJKSA-N 294.354 2.966 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncccc1F)O2 587385409 NZMATEOLIUAFCY-ZDUSSCGKSA-N 272.279 2.818 0 1 CFAF N=c1ccc(Cc2nc3ccc(Cl)cc3[nH]2)c[nH]1 587253796 PSXKACSXCFWHFA-UHFFFAOYSA-N 258.712 2.615 0 1 CFAF O=C(CCc1ccccc1)c1nc2ncccc2[nH]1 587954211 ITNXKXZCMAHKNL-UHFFFAOYSA-N 251.289 2.773 0 1 CFAF C[C@H]1CCO[C@H](c2nc3cc(F)cc(C(=O)O)c3[nH]2)C1 586917187 NQCWKNFROYFNBF-CPCISQLKSA-N 278.283 2.888 0 1 CFAF OCc1ccc2nc(CCc3cccc(O)c3)[nH]c2c1 586896055 HZXCDCGNTMDVFI-UHFFFAOYSA-N 268.316 2.546 0 1 CFAF COc1cc2nc([C@H]3CC(=O)OC3(C)C)[nH]c2cc1C 586910114 NWYFPIAYCHMGJC-SECBINFHSA-N 274.320 2.689 0 1 CFAF COc1cc2nc(-c3cnc(Cl)nc3)[nH]c2cc1OC 587085816 JIZCNVBIHLHYAL-UHFFFAOYSA-N 290.710 2.691 0 1 CFAF COc1ccc2cc(C(CC(=O)O)CC(=O)O)ccc2c1 147451470 IRZGDKNZOVKALS-UHFFFAOYSA-N 288.299 2.881 0 1 CFAF Cc1cc(=O)c(O)c(Cc2ccc(Cl)cc2)o1 1857653458 QUDFFHCLQQMKNL-UHFFFAOYSA-N 250.681 2.898 0 1 CFAF COc1c2c(c(C)c3c1OC(=O)[C@@]3(C)O)[C@@H](C)CCC2 13299564 FCMSAPXDFYCBGJ-PWJLMRLQSA-N 276.332 2.570 0 1 CFAF CCO[C@@H]1OC(=O)C2=C1[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2O 13485669 XUUGSOPITUNJLM-ROIUPPMCSA-N 294.391 2.800 0 1 CFAF O=C(O)/C(Cl)=C(Cl)/C(Cl)=C(\Cl)C(=O)O 13512648 OPEJMVTXTHBTBS-ZPUQHVIOSA-N 279.890 2.534 0 1 CFAF in-vitro CCCN(CCC)CCc1ccc(O)c2[nH]c(=O)sc12 13556263 CFSNGNNMGHLIPH-UHFFFAOYSA-N 294.420 2.960 0 1 CFAF CCCN1CCC[C@H]2c3nc(N)sc3CC[C@@H]21 13824122 YZXHGMLAVBMVDU-ZJUUUORDSA-N 251.399 2.630 0 1 CFAF C[C@H](C(=O)O)c1ccc2c(c1)OCc1ccccc1C2=O 2002646 ZLHKCAHRTBIOOR-JTQLQIEISA-N 282.295 2.998 0 1 CFAF CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(CN)cc13 13532335 XYIFHCHUVGLMRO-CGTJXYLNSA-N 270.420 2.834 0 1 CFAF CN(Cc1ccco1)c1cc(-c2ccoc2)ncn1 4239270 KZHIUGGNTASZHY-UHFFFAOYSA-N 255.277 2.966 0 1 CFAF O=CN1CCc2cc3c(c4c2[C@H]1Cc1ccccc1-4)OCO3 6116901 UNKDZOMBELOPQZ-CQSZACIVSA-N 293.322 2.694 0 1 CFAF O=C(N/N=C/C1=Cc2ccccc2OC1)c1cccs1 54280186 JQSABGSUOFAKHA-CXUHLZMHSA-N 284.340 2.940 0 1 CFAF COC(=O)C1=C(c2ccc(F)cc2)C[C@H]2CC[C@H]1N2C 100840751 ZECSPXOBAAGUES-TZMCWYRMSA-N 275.323 2.619 0 1 CFAF c1ccc2c(OCCCN3CCCCC3)ncnc2c1 103262382 SQMNNAQUIXACSJ-UHFFFAOYSA-N 271.364 2.885 0 1 CFAF CSc1ccc(CNC(=O)[C@@]2(C)CCN2C(C)C)cc1 61897151 NYWLTJAAWRSEAV-MRXNPFEDSA-N 292.448 2.898 0 3 CFAF Cc1ccccc1NC(=O)CC12CCCN1CCC2 27759549 GCEDMCFPVHRCFD-UHFFFAOYSA-N 258.365 2.952 0 1 CFAF COc1cc(O)cc2cc3c(c(O)c12)C(=O)C[C@H](C)[C@@H]3O 2356646933 USXWNPRVDQRHME-ZIDLFYJRSA-N 288.299 2.516 0 1 CFAF CCOC(=O)[C@@]1(c2ccccc2)C[C@@H]1CN1CCCC1 26958964 OLGUEQZPXJUZPQ-NVXWUHKLSA-N 273.376 2.603 0 1 CFAF CCc1ccc(Nc2cc(=O)n(C)c(=S)[nH]2)cc1 29412247 LQIMZOFUWSHGIH-UHFFFAOYSA-N 261.350 2.749 0 1 CFAF CCCc1cc(NCc2ccc(CO)cc2)n2nccc2n1 72164727 HLCZXXSNYCROFM-UHFFFAOYSA-N 296.374 2.786 0 1 CFAF CCO[C@H](CO)c1ncc(OC)c2c1[nH]c1ccccc12 138159376 LDIDCYKCWDZMPI-CYBMUJFWSA-N 286.331 2.795 0 1 CFAF C/C(=C/C=C/c1ccccc1)[C@@H](O)C(C)(C)C(N)=O 40395101 YSFDTLGVPLFRNN-WNGQQIFBSA-N 259.349 2.519 0 1 CFAF COc1ccc2c(c1)-c1c3c(cc4c1C(=NCC4)C2)OCO3 85996012 JAUBYLKXQICYCK-UHFFFAOYSA-N 293.322 2.992 0 1 CFAF COC(=O)C1=CC[C@H]([C@@](C)(O)CC(=O)CC(C)C)CC1 238766958 NXVYWHPRUJVWDG-BBRMVZONSA-N 282.380 2.642 0 1 CFAF O=C(O)c1cc(/C=C/c2cc(O)cc(O)c2)ccc1O 653805758 HDCGSENWVPTNKR-OWOJBTEDSA-N 272.256 2.672 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H](C(=O)O)C1)O2 587402708 BLCKSJFJTNXNAP-HWPZZCPQSA-N 289.331 2.556 0 1 CFAF Cc1ncc(-n2c(C)ccc2C)nc1Br 587939265 BGZLJAJCZDUSDH-UHFFFAOYSA-N 266.142 2.955 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CC(C)(C)C)(C(=O)O)O2 587407843 LNHIYVVRJPSQCO-MRXNPFEDSA-N 291.347 2.802 0 1 CFAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2c(Cl)ccnc2[nH]1 587963609 PCGMUYYCOHFIIC-HTQZYQBOSA-N 263.728 2.769 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1nc(C)oc1C)[C@@H](C2)C3=O 587436863 VANHOUDMMBIMMT-ZBEGNZNMSA-N 285.299 2.789 0 1 CFAF O[C@@H](C[C@H]1c2ccccc2-c2cncn21)c1ccccn1 203792674 FNGDHPYZIOFVLB-RDJZCZTQSA-N 277.327 2.972 0 1 CFAF CC[C@H](O)CNc1cc2c3c(cccc3c1)NC2=O 1857571531 WHZQETUJAWDHKP-NSHDSACASA-N 256.305 2.588 0 1 CFAF Oc1nc2ccccc2n1C[C@@H](O)c1ccc(F)cc1 1857763702 LEEBKMFOTKBLQW-CQSZACIVSA-N 272.279 2.615 0 1 CFAF COc1ccc2ccccc2c1C[C@H](C)NC(C)=O 13741574 DTYWDULZUHWTNA-NSHDSACASA-N 257.333 2.916 0 1 CFAF CCCCCOc1nsnc1O[C@H]1CN2CCC1CC2 3961375 NDVIKBDXCVASBZ-LBPRGKRZSA-N 297.424 2.580 0 1 CFAF Cc1ccc(Cn2[nH]cc3nc(-c4ccoc4)nc2-3)o1 103593609 DJKDOCQEVIUMIQ-UHFFFAOYSA-N 268.276 2.921 0 1 CFAF CCCCOc1ccc2c(c1)-c1nncn1CCO2 53276534 UAQOGXGQTDUHOV-UHFFFAOYSA-N 259.309 2.516 0 1 CFAF CC1=Nc2ncnn2[C@@H](c2cccnc2)/C1=C(\O)OC(C)C 101632706 JSGFVBLYJCPZAZ-REQDGWNSSA-N 299.334 2.563 0 1 CFAF aggregator CCc1cc(Cc2cnc(N)nc2N)cc([C@@H](C)CC)c1N 27107815 GQDUADLPQGIRGI-JTQLQIEISA-N 299.422 2.890 0 1 CFAF CCC=CC[C@@H](C[C@H]1CC=CC(=O)O1)OC(C)=O 2356477204 YKAIEQJKNLRONE-QWHCGFSZSA-N 252.310 2.536 0 1 CFAF CO[C@H]1Oc2ccc(O)cc2-c2ncc3c(c21)CCC3 2356728188 AYNKXQSWVXZEJE-INIZCTEOSA-N 269.300 2.980 0 1 CFAF CCC[C@H](O)CCCCCCC[C@H](O)CC(=O)OC 34194196 XVHIDNDUMNPTQW-KBPBESRZSA-N 274.401 2.802 0 1 CFAF COC[C@@]1(O)[C@@H](CO)[C@@H]2CC[C@@]1(C)[C@@]2(C)C1CCCC1 85545641 TXHFBRWHXQLYEB-QUSNUVHPSA-N 282.424 2.599 0 1 CFAF biogenic,in-vitro CCCCN(C#N)C(=O)c1ncn(CCCC)c1C 82154905 BOIBOEXSOTWQAI-UHFFFAOYSA-N 262.357 2.715 0 1 CFAF Cc1ncsc1CCn1cc(-c2ccccc2)nn1 95555641 BSHYZQUDJXYIEU-UHFFFAOYSA-N 270.361 2.953 0 1 CFAF CCN(C)C(=O)Oc1ccc2c(c1)NC[C@@H]2CCC(=O)O 95564508 TXIUZNGEJNTQQU-JTQLQIEISA-N 292.335 2.511 0 1 CFAF C/C1=C/C=C/[C@](C)(O)CCC(=O)O[C@@H](C)[C@@H](C)CC[C@H]1O 238754603 AIPQJEGNCNESPP-CSJWYVRHSA-N 296.407 2.743 0 1 CFAF O=Cc1ccc(OCCc2nc3cc(F)cnc3[nH]2)cc1 587566759 YEIGFZLRPGQENH-UHFFFAOYSA-N 285.278 2.531 0 1 CFAF COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nc1 587437211 XTGOAJMLNDILEA-PXAZEXFGSA-N 297.310 2.588 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](C)N(C3CC3)C1)O2 587396949 YAMKAKLAVNXLPN-APPDUMDISA-N 286.375 2.538 0 1 CFAF Fc1ccc(/C=C\c2nc3cncnc3[nH]2)c(F)c1 587150078 JLSWJZXDVTYLPE-RQOWECAXSA-N 258.231 2.802 0 1 CFAF COC(=O)c1ccc2nc(C(C)(C)CSC)[nH]c2c1 586968832 JYVVEXOUWOBPGG-UHFFFAOYSA-N 278.377 2.990 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccoc1)[C@@H](C2)C3=O 587455712 PNZSRJRQVZWGNX-XHDPSFHLSA-N 256.257 2.777 0 1 CFAF Nc1cccc(-c2nc3cncc(Cl)c3[nH]2)c1C(=O)O 587248309 MHTRCMVQMMMRQI-UHFFFAOYSA-N 288.694 2.559 0 1 CFAF COc1nccc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c12 586879259 KDBPXAAIVOPXCB-SREVYHEPSA-N 295.298 2.731 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nccn1C(F)F)O2 587381913 IRRGWORJNFVHHJ-LLVKDONJSA-N 293.273 2.875 0 1 CFAF Cc1cncc2nc(Cc3cc(N)ccc3F)[nH]c12 587142280 RAPGLMJATGDYCE-UHFFFAOYSA-N 256.284 2.578 0 1 CFAF CC(C)[C@@](C)(O)c1nc2ccc(Br)c(O)c2[nH]1 586888652 LOJKZRKVVJOSOM-GFCCVEGCSA-N 299.168 2.895 0 1 CFAF Cn1cnc2ccc(-c3ccc(F)cc3F)c(CN)c21 13987220 PHVZBRDAIZHXBF-UHFFFAOYSA-N 273.286 2.977 0 1 CFAF O=C1OC[C@@H]2[C@H]1[C@@H]1c3ccccc3[C@H](O)c3ccccc3[C@@H]21 17191360 KAFDISJYHBMFEQ-IECFSIQFSA-N 292.334 2.752 0 1 CFAF c1ccc2c3c([nH]c2c1)[C@H]1[C@@H]2CCCCN2CN1CC3 19319230 JZUJEEJLBUKNDP-DOTOQJQBSA-N 267.376 2.893 0 1 CFAF CN1CC[C@@H](C(=O)c2cncc(-c3ccc(F)cc3)c2)C1=O 205747346 KFDOLLRCESNYPO-HNNXBMFYSA-N 298.317 2.549 0 1 CFAF COC(=O)[C@H]1CCC(=O)[C@@H](Sc2ccccc2)C1 1622540 BMCGYPHJLBAOLQ-GWCFXTLKSA-N 264.346 2.690 0 1 CFAF C[C@H]1[C@H](c2ccccc2)OBN1Cc1ccccc1 2356316509 SKHWVMVDOZXHIN-XJKSGUPXSA-N 251.138 2.915 0 1 CFAF CCCC[C@H](O)C[C@@H]1CCC[C@H](C[C@H](O)CC)N1 2356395560 RXJHXBORQMLXBV-BARDWOONSA-N 257.418 2.599 0 1 CFAF CO[C@@H]1C=C(O)[C@H]2[C@H]3C[C@H]4CCC[C@@]3(C)[C@@]4(C)[C@]12O 2356362780 HLBDFWVKKWDTCV-UQQLTHAISA-N 264.365 2.650 0 1 CFAF c1ccc(-c2cn3c(n2)CO[C@H](CNC2CCCC2)C3)cc1 2356299688 MCCVYYQPJAGMNE-MRXNPFEDSA-N 297.402 2.981 0 1 CFAF Cc1cnc(OC[C@H](N)C(C)C)nc1-c1cccs1 28478102 YAAMJJZFPBTFJK-NSHDSACASA-N 277.393 2.876 0 1 CFAF CC=C1[C@H]2CCN3C[C@]4(c5ccccc5N(C(C)=O)[C@@H]4C2)[C@@H]13 2356519741 OFTFANZUEOWVIA-JGNHQEBTSA-N 294.398 2.714 0 1 CFAF Cc1cc(O)c([C@@]2(C)C[C@@H](O)CC2(C)C)cc1O 2356855362 RCNJFXVTFBBMKY-ZUZCIYMTSA-N 250.338 2.845 0 1 CFAF CN(C)c1nc2scc(-c3ccccc3)c2c(=O)o1 84690927 REVQFRPTZCTJBE-UHFFFAOYSA-N 272.329 2.983 0 1 CFAF c1cncc(Nc2nsc(Nc3cccnc3)n2)c1 40914885 HAEMZECACBJNDE-UHFFFAOYSA-N 270.321 2.815 0 1 CFAF Cc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@]3(C)C2=O)c1 195447193 HQFQBZPCZUXJHZ-CTWCOEIASA-N 267.328 2.697 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C3CC3)[nH]n1)O2 587397572 XNKTYFIMLPXXRW-HNNXBMFYSA-N 283.331 2.884 0 1 CFAF CN1CC[C@@](C)(O)[C@H](c2cc3c4c(cccc4n2)CC3)C1 587212310 NBGRVGFVWDMRLV-KBXCAEBGSA-N 282.387 2.504 0 1 CFAF N=c1cc[nH]cc1-c1nc2cc(Cl)cc(F)c2[nH]1 587249906 ROGRIEKQKMALDQ-UHFFFAOYSA-N 262.675 2.830 0 1 CFAF COC(OC)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587525925 WPRUEGVXCUCPLC-AWEZNQCLSA-N 276.332 2.518 0 1 CFAF CC[C@@]1(C)C[C@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586885891 AIIWHTPLUGMEMN-HZMBPMFUSA-N 278.377 2.870 0 1 CFAF N=c1cc(-c2nc3cnccc3[nH]2)c2ccccc2[nH]1 587254668 WHZNQKYLMWVZGS-UHFFFAOYSA-N 261.288 2.586 0 1 CFAF Cc1nccc2[nH]c(/C=C\S(=O)(=O)c3ccccc3)nc12 586925162 WPPXKLBUGRDHEQ-NTMALXAHSA-N 299.355 2.711 0 1 CFAF CC(C)[C@@H](O)[C@H](O)C[C@@H](C)CCC(=O)c1ccoc1 5442659 PRLJTIPWGNRUNG-NILFDRSVSA-N 268.353 2.647 0 1 CFAF endogenous,in-man COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(F)c(C)c1)N2 13644781 MMLRFWSQUZRITP-VIRABCJISA-N 277.339 2.531 0 1 CFAF CN(C)CCc1cn(C)c2ccc3c(c12)CCCO3 13727658 IQIJKZDKEPJSMH-UHFFFAOYSA-N 258.365 2.607 0 1 CFAF CCCN(CCC)[C@@H]1CCc2c(ccc(CO)c2O)C1 26174538 FCWCWWBDTVEDKI-OAHLLOKOSA-N 277.408 2.864 0 1 CFAF CCCSc1c(OC)cc(CCN)cc1OC 27300868 BQFDSMXQCJFKCH-UHFFFAOYSA-N 255.383 2.707 0 1 CFAF O=C1CC[C@@]2(c3ccc(Cl)cc3)Nc3ncncc3N12 1634831 BUJJJDOCEFCTOD-CQSZACIVSA-N 286.722 2.535 0 1 CFAF C[C@@H](CO)[C@H]1CCc2coc3cc(C(=O)O)cc1c23 2356325251 NJYGTKDUQVRJAI-GZMMTYOYSA-N 260.289 2.789 0 1 CFAF CC[C@H](C)NC(=O)c1ccc2c(c1)N(C)CCS2 6802441 DSYIURCMQOSGBH-JTQLQIEISA-N 264.394 2.757 0 1 CFAF C[C@@H]1CCc2nn(CC(=O)N[C@H](C)c3ccccc3)cc2C1 6806876 BEKMNKLDIUWEDZ-ZIAGYGMSSA-N 297.402 2.885 0 1 CFAF CC1=C[C@H](Cc2ccccc2)[C@H](C(C)(C)O)C[C@@H]1O 2356372993 PWGBVOTVOLKUPY-OAGGEKHMSA-N 260.377 2.943 0 1 CFAF C[C@H](CC(=O)C[C@]1(C)C2C[C@@H]3[C@@H](C2)C31C)C(=O)O 100778713 PJKNORSNWWYCMC-LMWHIRCYSA-N 250.338 2.739 0 1 CFAF endogenous,in-man CS(=O)(=O)c1ccc(-c2n[nH]nc2-c2ccccc2)cc1 28006378 VGBOGWWHUYEBQH-UHFFFAOYSA-N 299.355 2.542 0 1 CFAF Cc1nnn([C@@H](CCN(C)C)c2ccc3ccccc3c2)n1 64361592 UIUOSQHTTWIDMR-KRWDZBQOSA-N 295.390 2.676 0 1 CFAF COc1nc(C(=O)c2cccs2)c2sccc2n1 29050117 OWAGZTXCCQXVNH-UHFFFAOYSA-N 276.342 2.992 0 1 CFAF CO[C@@H]1c2ccccc2O[C@H](c2ccc(O)cc2)[C@@H]1O 2356530907 WEUGDDZMGUAOFB-ARFHVFGLSA-N 272.300 2.574 0 1 CFAF COC(=O)C=C(C)C1=C2C(OC)=C(C)O[C@@H]2OC(C)=C1 2356728984 ZFLGIXPPHIPBBJ-HNNXBMFYSA-N 278.304 2.571 0 1 CFAF CC(C)=CCn1cc(C[C@@H](N)C(=O)O)c2ccccc21 64447224 GUWIUPRCBWJKFS-CQSZACIVSA-N 272.348 2.562 0 1 CFAF CCCC[C@@H]1C[C@H]([C@]2(CC)OC(=O)C[C@H]2O)[C@](O)(CC)C1 2356775281 KILGSMQFCGHEAC-VUBIOHBQSA-N 298.423 2.801 0 1 CFAF COc1cc2nncc(-c3cccnc3)c2cc1OC 35976867 BLMGWYVQBYZFKI-UHFFFAOYSA-N 267.288 2.709 0 1 CFAF C[C@H]1CCCN(c2ncnc3[nH]cc(-c4cnn(C)c4)c23)C1 210753837 OJIYMEIFXMQAHK-NSHDSACASA-N 296.378 2.595 0 1 CFAF Cc1nn(C(C)(C)C)c2[nH]c(=O)c3c(c12)CSC3 40979554 LHWBAXMQEIWZPH-UHFFFAOYSA-N 263.366 2.535 0 1 CFAF COc1cc(O)c2c(=O)cc(C)oc2c1CCC(C)(C)O 96908142 UUVNKBQUZCHOSE-UHFFFAOYSA-N 292.331 2.519 0 1 CFAF CN(C)c1ccc(CCc2cc(O)cc(O)c2)cc1 95560274 JWBKIAJOFCWREN-UHFFFAOYSA-N 257.333 2.949 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)C)o1)O2 587386488 JRHRJMVHGOXJFZ-AWEZNQCLSA-N 286.331 2.943 0 1 CFAF CCCc1cc2c(O)nc(O)nc2nc1-c1ncccc1C 587557027 FTJCRDWZYSNGDE-UHFFFAOYSA-N 296.330 2.759 0 1 CFAF COc1cc2nc([C@H](N)[C@@H](C)F)[nH]c2cc1Cl 587125541 SFUCRRRVZPPDGS-GPXNAGAYSA-N 257.696 2.583 0 1 CFAF N=C(N)c1ccc2nc(CCc3ccccc3F)[nH]c2c1 587149294 KPIQKFCKFKEWNG-UHFFFAOYSA-N 282.322 2.771 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(O)cc(O)c1)O2 587403618 JNNPGBMUSBZKFX-QGZVFWFLSA-N 299.326 2.869 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cc(O)cc(O)c1)[C@@H](C2)C3=O 587449314 JAUQHXVDDHIASO-GUYCJALGSA-N 298.294 2.595 0 1 CFAF COc1ccc2nc(Cc3c(F)cncc3Cl)[nH]c2n1 587176419 SUYCBENCQBGWDF-UHFFFAOYSA-N 292.701 2.745 0 1 CFAF CC(C)[C@](C)(O)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586891126 SRHPMPOTZKFXJM-LBPRGKRZSA-N 276.233 2.983 0 1 CFAF CCn1ccc([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963014887 AVZUFTSDIVQDSN-ACJLOTCBSA-N 295.386 2.651 0 1 CFAF COc1cccc2cc3c(cc12)C(=O)N(C(C)C)C3=O 1857577249 RYIRFVWUYMMMOM-UHFFFAOYSA-N 269.300 2.853 0 1 CFAF CC[C@@H](C)SC(=S)NCC/C=C/[S@](C)=O 1857775266 LLTWYYHQGIWCHB-JBYFHGAWSA-N 265.469 2.675 0 1 CFAF O=C(O)c1c[nH]c2c(Sc3ccccc3)nccc2c1=O 5544005 CZRXJVSLPIGVQL-UHFFFAOYSA-N 298.323 2.773 0 1 CFAF CC[C@](O)(C(=O)Nc1ccccc1Cl)C(F)(F)F 13804011 KULYLPBTFPTNCH-JTQLQIEISA-N 281.661 2.982 0 1 CFAF COc1cc([C@@H]2COc3cc(O)ccc3C2)c(O)cc1O 14758785 AWVKZYDVQDHNKA-JTQLQIEISA-N 288.299 2.531 0 1 CFAF biogenic,in-vitro C[C@@H](CSc1ccccc1)CN1CC[C@H](O)CCC1=O 15935347 RCBNRPXJBLMFKF-ZIAGYGMSSA-N 293.432 2.788 0 3 CFAF C[C@@H]1CCC[C@@H](n2cnc(C[C@@H](CCCN)C(=O)O)c2)C1 169698754 RUGXMJXNVBQNEE-UMVBOHGHSA-N 293.411 2.617 0 1 CFAF COc1ccccc1S(=O)(=O)/C=C/c1ncccc1F 1857558297 RWQFFHQHBOMPEB-CSKARUKUSA-N 293.319 2.674 0 1 CFAF O=C1c2ccccc2[C@@]2(c3cccc(O)c3)SCCN12 6583025 VLVZNPNEXWRNBP-MRXNPFEDSA-N 283.352 2.796 0 1 CFAF Nc1nc(N)c2c(COc3ccc(F)cc3)cccc2n1 28971661 FFWGVMHXPJYDDM-UHFFFAOYSA-N 284.294 2.512 0 1 CFAF C[C@H](C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C)c1ccc(N)cc1 101760718 VGTWZPYFVWEXBL-CQDKDKBSSA-N 288.391 2.541 0 1 CFAF CCN(CC)CCSc1n[nH]c(-c2ccc(O)cc2)n1 103218659 FUZIMXFKDLBCAF-UHFFFAOYSA-N 292.408 2.611 0 1 CFAF COc1cccc([C@@H](O)c2nc(-c3cncnc3)cs2)c1 61906740 MEKWUYMTQDSGDN-CQSZACIVSA-N 299.355 2.690 0 3 CFAF O=C(O)C[C@]12N[C@](Cl)(Cc3ccccc31)c1ccccc12 27891851 CBSZYTKTSSEDCP-DLBZAZTESA-N 299.757 2.956 0 1 CFAF CC(C)(C)C1=C(C(=O)O)N2C(=O)/C(=C/c3ccccc3)[C@@H]2O1 38923637 NEZMOFNDDULBCY-KLQCNHIUSA-N 299.326 2.611 0 1 CFAF O=C(O)c1cc(N(Cc2ccoc2)Cc2ccoc2)n[nH]1 43059667 WEOFJSCZILSXTN-UHFFFAOYSA-N 287.275 2.501 0 1 CFAF CCOC(=O)CSC(=S)c1ccc(C)cc1 40980848 XCKFNVMTGRYSPI-UHFFFAOYSA-N 254.376 2.967 0 1 CFAF C[C@@]1(c2cc(NC3CCCC3)ccc2F)COCC(N)=N1 143182463 SNBVGRNXFMZUNZ-INIZCTEOSA-N 291.370 2.783 0 1 CFAF Oc1cccc([C@H](O)c2nc3c(F)cnc(Cl)c3[nH]2)c1 586893820 WTLCQOIFUNUWBU-NSHDSACASA-N 293.685 2.538 0 1 CFAF C[C@@H]1CCc2sc(-c3nc4ncnc(N)c4[nH]3)cc2C1 587032903 CVHKSLRBILYTDJ-SSDOTTSWSA-N 285.376 2.788 0 1 CFAF CC[C@H]1OCCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCO3 586913277 PZJRDGHOODTIDG-JOYOIKCWSA-N 274.320 2.964 0 1 CFAF COc1cc(C)c(N)c(-c2nc3cnc(Cl)[nH]c-3n2)c1 587250463 WNIFQHAKBAXRKB-UHFFFAOYSA-N 289.726 2.524 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3cncn13)O2 587394272 SILYBKCVOBUYLD-MRXNPFEDSA-N 293.326 2.931 0 1 CFAF CC[C@@]1(c2cccc(N)c2)NCCc2c1c(C(C)C)nn2C 962918987 JLPPBHYUMJKBLY-SFHVURJKSA-N 298.434 2.925 0 1 CFAF COCOCC[C@H]1NCCc2cccc(Cl)c21 963390442 JPUSYCVUJTZYKY-GFCCVEGCSA-N 255.745 2.537 0 1 CFAF Cc1cccc2c(=O)n(-c3ccc(F)cc3)cnc12 1857548789 XASZNNXIAQSSAO-UHFFFAOYSA-N 254.264 2.833 0 1 CFAF Cc1cccc2c1cnn2-c1cncc(C(C)(C)O)c1 1772587612 KXWLQTYIIOXMJM-UHFFFAOYSA-N 267.332 2.956 0 1 CFAF COc1cc(Br)c2c3c1[C@H](CN)CC[C@@H]3CO2 13525292 AUCHXXIFGAHPKU-JGVFFNPUSA-N 298.180 2.770 0 1 CFAF c1ccc(COC[C@H]2CC[C@@H](c3c[nH]cn3)O2)cc1 13524098 RETVAMKTDRMQFH-HIFRSBDPSA-N 258.321 2.847 0 1 CFAF Brc1ccc(N2O[C@@H]3C=C[C@@H]2CC3)nc1 169373668 VAUHQRNQIHPCQZ-NXEZZACHSA-N 267.126 2.683 0 1 CFAF CCOC(=O)c1ccc(-c2nc3ccccc3[nH]2)nc1 27857986 ASDPHTLRTCBMFE-UHFFFAOYSA-N 267.288 2.802 0 1 CFAF Cc1[nH]c(C)c(C(=O)O)c1CN[C@H]1CCCC[C@H]1C 4076056 NUOHPMZIMVCBRT-RNCFNFMXSA-N 264.369 2.998 0 3 CFAF CCOC(=O)NC(=S)c1ccc(O)c2ccccc12 6385552 NHMSSUPUELKLPU-UHFFFAOYSA-N 275.329 2.967 0 1 CFAF NCCCCN(Cc1ccccc1)Cc1ccncc1 27656622 QTUYZZUJEKJUFR-UHFFFAOYSA-N 269.392 2.823 0 1 CFAF COc1cc(-c2cc3[nH]ccnc-3n2)cc(OC)c1OC 101259281 SQCPKGOVYWFBMU-UHFFFAOYSA-N 285.303 2.602 0 1 CFAF CCCCCCOc1nccnc1O[C@H]1CN2CC[C@H]1C2 29551671 VGZCKWSRGATAFA-KBPBESRZSA-N 291.395 2.519 0 1 CFAF N#Cc1cccc(-c2noc(-c3ccc(F)nc3)n2)c1 116132894 XYYDCBQFJDEXRK-UHFFFAOYSA-N 266.235 2.809 0 1 CFAF CC(C)=CC[C@H](O)C(C)=CCCC1=CC(=O)OC1 2356549571 HJPSBDPCOCVCKE-AWEZNQCLSA-N 250.338 2.913 0 1 CFAF O=C1CCC(c2ccc3[nH]c(-c4cccnc4)cc3c2)=NN1 26736225 HSINOEGGBVVAND-UHFFFAOYSA-N 290.326 2.844 0 1 CFAF Cc1nc2cccc(CCCNC(=O)C(C)C)c2o1 27299428 SYPDTQGEKIYTKO-UHFFFAOYSA-N 260.337 2.841 0 1 CFAF COc1cc(CC(=O)c2cc(O)c(C)cc2O)ccc1O 64549255 RCSNDAVGOBNVDH-UHFFFAOYSA-N 288.299 2.546 0 1 CFAF Cc1cccc(C)c1OCCN[C@H]1CCCC[C@H]1O 73168606 ZQEKJFLPOKNQMM-LSDHHAIUSA-N 263.381 2.575 0 1 CFAF COc1cccc(C[C@H](c2ccccc2)N2CCNCC2)c1 34184514 CTAHXNUPBZTDFO-LJQANCHMSA-N 296.414 2.884 0 1 CFAF in-vivo O=C(O)CC[C@H](O)c1ccc(OCc2ccco2)cc1 40833794 MKRCUANBIIPMSD-AWEZNQCLSA-N 276.288 2.757 0 1 CFAF O=C(O)c1c[nH]c2ccc(Cc3ccccc3F)cc2c1=O 42921629 RPFHNYIIVRNCNV-UHFFFAOYSA-N 297.285 2.956 0 1 CFAF Cc1ccc(CNC(=O)Cc2c(C)noc2C)c(F)c1 43177537 CATPRMSYJZSXCG-UHFFFAOYSA-N 276.311 2.598 0 1 CFAF O=c1[nH]c(C[C@@H]2C=CCC2)nc2c1cnn2C1CCCC1 146939681 KIDQOAJBNXNQBE-LLVKDONJSA-N 284.363 2.743 0 1 CFAF N=c1[nH]c2nc(-c3ccoc3C3CC3)nc-2c(Cl)[nH]1 586902375 YPNNDYBVDXYTKU-UHFFFAOYSA-N 275.699 2.508 0 1 CFAF Oc1nncc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c12 587085931 OXZAZOFRCIDONA-UHFFFAOYSA-N 297.705 2.927 0 1 CFAF Cc1cc(F)c2[nH]c(-c3cc(N)cc(C(=O)O)c3)nc2c1 587249928 SSVLXTGGTIUPTN-UHFFFAOYSA-N 285.278 2.958 0 1 CFAF Cc1ccc(/C=C/c2nc3cc(=N)[nH]cc3[nH]2)cc1F 587146290 HOCSWKCRFQHPJY-SNAWJCMRSA-N 268.295 2.988 0 1 CFAF COc1cc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2cn1 587162115 HKXDPVKWYSNTES-UHFFFAOYSA-N 299.305 2.921 0 1 CFAF COc1cccc(Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 587932499 YUAIVBHAUKRUSC-UHFFFAOYSA-N 294.314 2.744 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(CCS[C@@H]1C)[C@@H](C2)C3=O 587454259 VTPDRQCGGPNFND-OTDPEBBPSA-N 276.357 2.707 0 1 CFAF CCOC(=O)CC[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587398573 FJMFAMZAGANWNJ-INIZCTEOSA-N 291.347 2.644 0 1 CFAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cccc(O)c3[nH]1)C2 586883630 CSMTZEBDPHVRCL-GARJFASQSA-N 268.316 2.907 0 1 CFAF c1ccc2cc3[nH]c(CC4OCCO4)nc3cc2c1 586907072 CVEOFNYAPDLGCZ-UHFFFAOYSA-N 254.289 2.632 0 1 CFAF COCc1ccc(C)c2c1C(=O)[C@H](O)C(=C(C)C)C2 685935623 YLZMCKDMPWODPI-OAHLLOKOSA-N 260.333 2.578 0 1 CFAF biogenic,in-vitro C[C@H]1C[C@H]2CSC(=N)N[C@@]2(c2ccccc2)CO1 1857647523 BUDLPOJDPXTXBI-VHRBIJSZSA-N 262.378 2.578 0 1 CFAF Nc1ccc2c(c1)[C@@]1(c3ccccc3)SCCN1C2=O 5939214 XQDYHKPBFXMTHA-MRXNPFEDSA-N 282.368 2.673 0 1 CFAF COc1ccc2c(c1)C(=N)[C@@H](Cc1ccncc1)C2=O 13219492 RRECQAJYQWGKQT-CQSZACIVSA-N 266.300 2.513 0 1 CFAF COc1cccc(-n2[nH]c3c(cnc4ccccc43)c2=O)c1 13741322 MALXTNRWBUWHHG-UHFFFAOYSA-N 291.310 2.876 0 1 CFAF C[C@H]1[C@@H](N(C)C)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205711216 SSPDNLNXJNMPPI-ORIJERBGSA-N 264.413 2.508 0 3 CFAF Cc1nccn1-c1ccc(/C=C2/SC(=O)NC2=O)cc1 1857565075 CTZVSPAIQWVNDN-XYOKQWHBSA-N 285.328 2.505 0 1 CFAF Nc1cccc(C=CC(=O)N=c2cc[nH]c3ccccc23)c1 1857590889 YUYLLQYJSQNONQ-UHFFFAOYSA-N 289.338 2.891 0 1 CFAF Oc1ccccc1C1=NCCNC(c2ccccc2)=C1 1857643151 XTVQKKUYVXQHCW-UHFFFAOYSA-N 264.328 2.826 0 1 CFAF CC(=O)c1cccc(-c2ccc3c(c2)CCNC3=O)c1 1239636438 DCVQXQUORFSGCT-UHFFFAOYSA-N 265.312 2.842 0 1 CFAF CC(=S)N[C@@H](C(=O)NCc1ccccc1)c1ccco1 26671798 HRLBGTMDTQIMAV-CQSZACIVSA-N 288.372 2.574 0 1 CFAF CC(=O)N1[C@@H]2C=C[C@H](C2)C1(C(F)(F)F)C(F)(F)F 100107889 SIERWPPSKUBEJN-RNFRBKRXSA-N 273.176 2.657 0 1 CFAF C[C@@H]1Oc2ccccc2N(CC(=O)c2ccc(F)cc2)C1=O 1328463 XAOUJCYDVYNFPA-NSHDSACASA-N 299.301 2.823 0 3 CFAF CC1(C)CCC[C@@H]2[C@H](CC(=O)O)C(CO)=CC[C@@H]21 2356329349 BQGCOWVVISEYKL-UPJWGTAASA-N 252.354 2.842 0 1 CFAF CC(C)Oc1cncc(C2=C[C@H]3CNC[C@H](C2)C3)c1 101576250 LYGZRGMHPFAAMR-STQMWFEESA-N 258.365 2.882 0 1 CFAF COc1ccc(CN2C3C[C@@H]4C[C@@H](C3)CC2(O)C4)cc1 101437613 BHABHLSQJMRXJM-JPQBHMHHSA-N 273.376 2.778 0 1 CFAF COc1cc2oc(=O)ccc2cc1/C=C\C(C)(C)O 111397046 LNFVZUMSDAIQDQ-SREVYHEPSA-N 260.289 2.586 0 1 CFAF biogenic,in-vitro Cn1ccc2c(N3CCN(c4ccccc4)CC3)ccnc21 28706833 ZSNFWEVIQJJALD-UHFFFAOYSA-N 292.386 2.900 0 1 CFAF CC1=CCC[C@H](C)[C@H](C)OC(=O)C=C[C@](C)(O)CC[C@H]1O 2356587343 IDGNDQYOCKRQMV-MKVSYHDVSA-N 296.407 2.743 0 1 CFAF COC[C@]1(O)[C@@H](CO)[C@H]2CC[C@@]1(C)[C@]2(C)C1CCCCC1 2356595583 MSEDTCPMPHXYPR-ICUGJSFKSA-N 296.451 2.989 0 1 CFAF CCOC(=O)[C@]1(C)CCN1C(=O)c1cccc(Cl)c1 61898245 CRKGBPOKCXZPCY-AWEZNQCLSA-N 281.739 2.508 0 3 CFAF CNC[C@@H](O)[C@@H](c1ccccc1)n1ccc2ccccc21 34619310 ANOKEIWYHCYLAM-QZTJIDSGSA-N 280.371 2.811 0 1 CFAF CO[C@H]1N(OC)c2ccccc2[C@]12CN=C(SC)S2 34126346 KJSKSCBVIGFOKZ-DGCLKSJQSA-N 296.417 2.702 0 1 CFAF endogenous,in-man O=Cc1cc([C@@H]2CC(=O)c3ccc(O)cc3O2)ccc1O 72141372 RSYFAEGTDAJQDM-HNNXBMFYSA-N 284.267 2.617 0 1 CFAF Cc1csc(NC(=O)c2nc(C)cc3cc[nH]c23)n1 95573507 DMHZARMXNGNKPC-UHFFFAOYSA-N 272.333 2.889 0 1 CFAF N=c1[nH]ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c12 586891014 RRHPBQPCGBTTIU-YVEFUNNKSA-N 276.343 2.742 0 1 CFAF N=c1ccc(Cc2nc3cc(Cl)c(F)cc3[nH]2)c[nH]1 587253753 DIGIDGXLJKKYKP-UHFFFAOYSA-N 276.702 2.754 0 1 CFAF COc1cc(-c2nc3c(N)ccnc3[nH]2)cc(Cl)c1O 587046242 NVPNWQVWKGSQIJ-UHFFFAOYSA-N 290.710 2.575 0 1 CFAF CN(C)C(=O)c1ccc2nc(-c3ccc(F)c(N)c3)[nH]c2c1 587139525 NFHPOGMRBUUCSC-UHFFFAOYSA-N 298.321 2.653 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(C[C@H](C)O[C@H](C)C1)[C@@H](C2)C3=O 587456193 SLIUSFXXKULCII-STTGHKBWSA-N 288.343 2.769 0 1 CFAF C[C@@H]1CN(C)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517415 MTKWLLZQFAWLSV-XIKOKIGWSA-N 285.387 2.851 0 1 CFAF COc1cc(C)c(N)c(-c2nc3c(C)nccc3[nH]2)c1 587249537 NSIJYEDKNLMSEF-UHFFFAOYSA-N 268.320 2.833 0 1 CFAF Cc1nc2c(OCc3ccccc3)cccn2c1CO 13760948 SSNYHSYWZXMKQW-UHFFFAOYSA-N 268.316 2.714 0 1 CFAF COc1cccc2c(=O)n(C3C[C@@H]4CC[C@H](C3)N4C)ccc12 13832774 YTLYUJYDNPACCC-PBWFPOADSA-N 298.386 2.808 0 1 CFAF Cc1ccc(S(=O)(=O)N2CC3=C(C2)[C@@H]2C[C@@]2(C)C3)cc1 169293391 NYRJAMPXVAQGLH-JKSUJKDBSA-N 289.400 2.726 0 3 CFAF COc1ccc(F)c2c1CC[C@H](CN1CCCC1)C2=O 169319263 AIVXMTZEZAIYHV-LLVKDONJSA-N 277.339 2.675 0 1 CFAF CN1[C@H]2CCC[C@@H]1C[C@H]2OC(=O)C1CCCCC1 169370631 OALBGXZFCMPEGE-HZSPNIEDSA-N 251.370 2.735 0 1 CFAF CN1CCN2C[C@@H](c3ccc(O)cc3)c3ccccc3[C@H]2C1 165725633 KNYDPQMSVNKMHO-RBUKOAKNSA-N 294.398 2.826 0 1 CFAF Fc1ccc(-c2cs/c(=N\C3=NCCC3)[nH]2)cc1 6438088 IGGJLPBXGKOROR-UHFFFAOYSA-N 261.325 2.975 0 3 CFAF CNC(=O)c1c(C(C)C)oc2nc(N3CCCC3)ccc12 1857579488 ZWLMKBNCARIVAT-UHFFFAOYSA-N 287.363 2.911 0 1 CFAF C[C@]1(NC#N)CCc2ccc(-c3nc[nH]c4nccc3-4)cc21 1857653363 PTCVBQDKOCSZKC-KRWDZBQOSA-N 289.342 2.809 0 1 CFAF O=c1c(-c2ccsc2)c[nH]c2c(-c3ccccn3)cnn12 1857743930 AMPDVLJTHKQJOP-UHFFFAOYSA-N 294.339 2.813 0 1 CFAF NC(=O)[C@@H]1CCc2c([nH]c3ccc(Br)cc23)C1 13677628 AMMIISIGBOTIGG-SSDOTTSWSA-N 293.164 2.521 0 1 CFAF CCc1coc(CSc2cnc(NC(C)=O)s2)n1 23686 DTHXQOFAEWKCPU-UHFFFAOYSA-N 283.378 2.944 0 1 CFAF O=C1[C@@H]2CC=CC[C@H]2C(=O)C12CCc1ccccc12 1617086 UJUMWICRKXFWGH-CHWSQXEVSA-N 252.313 2.605 0 1 CFAF COc1ccc([C@H]2NCC[C@@]3(O)CCCC[C@H]23)cc1OC 3995518 IWVGVUFXHMKTRI-XYPHTWIQSA-N 291.391 2.660 0 1 CFAF COC[C@@]1(O)[C@@]2(C)[C@@H]3CCC[C@]2(C)[C@H](C3)[C@@]12CCC[C@H]2O 2356357791 UUORLUZANDRGRZ-GFNSITTLSA-N 294.435 2.741 0 1 CFAF Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@@H](O)CC1 101548460 IFEXWCPEJGCTJO-XYPYZODXSA-N 270.336 2.697 0 1 CFAF C[C@H]1[C@H]2CC[C@@H](C2)[C@H]1OC(=O)c1ccccc1C(=O)O 105281659 WIRZCAWOMABORR-RMIALFOJSA-N 274.316 2.976 0 3 CFAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(F)c(C)c1)N2 101028804 MMLRFWSQUZRITP-NZBPQXDJSA-N 277.339 2.531 0 1 CFAF CN(C)CCCC1(S(=O)(=O)c2ccccc2)CCC1 28571308 BEOOXRNKEBQHMY-UHFFFAOYSA-N 281.421 2.725 0 1 CFAF Clc1ccc(Cc2nc(CCc3c[nH]cn3)no2)cc1 27977643 KXAGFJFAXLVAPY-UHFFFAOYSA-N 288.738 2.822 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2ccc(F)c(C)c2)C[C@@H]2CC[C@H]1N2 28521350 MMLRFWSQUZRITP-CTHBEMJXSA-N 277.339 2.531 0 1 CFAF CC1(C)NC(=N)NC(=N)[C@H]1c1ccc(Cl)c(Cl)c1 45229865 MITUYFOINJGEGW-SECBINFHSA-N 285.178 2.960 0 1 CFAF CC[C@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24O3 195144280 POIANFSUDFGZHE-PMXZQPPQSA-N 280.364 2.853 0 1 CFAF C=CC(=O)Oc1cc(O)c2c(CCC)cc(=O)oc2c1 40424510 RSWJLDGAVZEHPD-UHFFFAOYSA-N 274.272 2.543 0 1 CFAF Cc1ccc(-c2ccc(N3CCOCC3)nn2)c(Cl)c1 45348180 DWUCYQMUIBXSJK-UHFFFAOYSA-N 289.766 2.942 0 1 CFAF O=C(CCCCCCCNC(=O)NO)Nc1ccccc1 40567416 RCNZFUGGDWMBGH-UHFFFAOYSA-N 293.367 2.654 0 1 CFAF Cc1ccc2c(c1)[C@@]1(C(=O)N2)N(C)CC[C@@]12CCCCC2=O 84540947 ZROPSJKVIJAQKU-MSOLQXFVSA-N 298.386 2.607 0 1 CFAF OCc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144699568 PDMZKWKMQPXJDT-CQSZACIVSA-N 280.245 2.958 0 1 CFAF Cc1cc(C)c2cc(C(=O)N[C@@H]3CCCN(C)CC3)[nH]c2c1 95603571 IRTPPRVHMRJWGE-CQSZACIVSA-N 299.418 2.999 0 1 CFAF Nc1ncc2c(n1)-c1c[nH]c3ccc(Cl)c(c13)CC2 95591384 KDCPKQOINQYLLM-UHFFFAOYSA-N 270.723 2.959 0 1 CFAF CC(C)Cc1ccc(-c2n[nH]cc2CN(C)CCN)cc1 474607848 KJHBJSSYYMWKLQ-UHFFFAOYSA-N 286.423 2.666 0 1 CFAF Brc1ccc2c(c1)SN1CCCN=C21 299860031 GITMIOSNCFFZGL-UHFFFAOYSA-N 269.167 2.922 0 1 CFAF N=C1N[C@@H](Cc2ccccc2)CN1Cc1ccccc1 653790979 WJFXKBOVDAIOMY-INIZCTEOSA-N 265.360 2.638 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CC[C@@H]1CCCO1)O2 587408023 GJLPGEOCHLYFKA-RYUDHWBXSA-N 275.348 2.870 0 1 CFAF CC(=O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604592 XEJLHQVVXHUNIN-YOEHRIQHSA-N 298.294 2.702 0 1 CFAF OCCc1ccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2c1 586898759 NLHQHZQKUMJNLN-UHFFFAOYSA-N 294.354 2.883 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)([C@@H](C)F)[C@@H](C2)C3=O 587419952 DNOZQJIBCBATGA-IMIVBSTGSA-N 250.269 2.559 0 1 CFAF N[C@H](c1nc2ccccc2[nH]1)c1ccc(F)cc1F 587149614 HZBZOGLCXVWYNC-ZDUSSCGKSA-N 259.259 2.889 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(COC(C)C)[C@@H](C2)C3=O 587439671 MEWQJHWAFWOCMQ-BLLLJJGKSA-N 276.332 2.626 0 1 CFAF CSc1cccc(Nc2nc(C[C@@H](C)O)ns2)c1 82047167 BJYAMLAURSQGIC-MRVPVSSYSA-N 281.406 2.927 0 1 CFAF OCCCN1[C@H]2CC[C@@H]1Cc1[nH]c3ccc(F)cc3c12 13861313 QJONDYJKMHCZCZ-ABAIWWIYSA-N 274.339 2.751 0 1 CFAF COC(=O)[C@]1(C)CCC[C@@]2(C)C3=C(CC[C@H]12)COC3=O 2356374643 AWWBFEOENJFBHI-IUIKQTSFSA-N 278.348 2.619 0 1 CFAF CCO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1cccs1 103349859 BPZQQFOIQFMNFR-SPQRFVMMSA-N 282.390 2.944 0 1 CFAF CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1/C=C/c1ccccc1 103346864 WJZVIZSWRZBRTF-DZYJPENUSA-N 288.372 2.833 0 1 CFAF COc1cc(/C=C2/C(=O)Oc3ccccc32)ccc1O 28524904 XPDNUHVUSAVWGL-XYOKQWHBSA-N 268.268 2.860 0 1 CFAF CSC[C@@H]1C[C@@H]2c3cccc4[nH]nc(c34)C[C@H]2N(C)C1 27556020 GRJIHXZSQOIHFF-IXPVHAAZSA-N 287.432 2.886 0 1 CFAF O=C(Nc1c(F)cccc1F)c1snnc1C1CC1 28956877 RRTOHGJLXSKABK-UHFFFAOYSA-N 281.287 2.946 0 1 CFAF CC1=C[C@@H]2OC(=O)[C@H](C)[C@H]2C[C@@H](O)C(C)=CCC1 2356515255 IEWXWMUMAOWZMT-SYQHCUMBSA-N 250.338 2.602 0 1 CFAF C[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O 28820319 QFCQGJLUYWNOAC-NSHDSACASA-N 250.301 2.865 0 1 CFAF CC(=O)O[C@H](C)CCCC=CC[C@H](O)C=CC=CC(=O)O 2356595331 CFFRJDASPYBVKV-HIFRSBDPSA-N 296.363 2.613 0 1 CFAF COc1cc(O)cc2c1-c1ccc(O)c(OC)c1CC2 2356725683 KJDGXFKUTZFDTK-UHFFFAOYSA-N 272.300 2.881 0 1 CFAF CC[C@H](C)C(=O)Oc1c(OC)cc(C=CCO)cc1OC 2356762440 YARZERWURXDEBP-NSHDSACASA-N 294.347 2.661 0 1 CFAF Cc1cc2c(c(C)c1CCO)CC(C)(C)[C@H]2O[N+](=O)[O-] 2356851510 QIHFJNSAUSDDHJ-AWEZNQCLSA-N 279.336 2.670 0 1 CFAF CCC[C@@H](O)c1ccc(O[C@@H]2CCOC2)c(OC)c1 40872648 XHDUWXZQVUSXPT-CHWSQXEVSA-N 266.337 2.696 0 1 CFAF CC1(C)O[C@@]2(C3CCCC3)C[C@@H]3CC[C@H](CO)[C@](N)(C2)[C@@H]31 85543314 BHZOVCLUZDPBDV-DNDFJUTLSA-N 293.451 2.850 0 1 CFAF biogenic,in-vitro COc1cc2c(cc1O)[C@H](CC(C)C)N(C(C)=O)CC2 40894538 QPOQSLNCBGKZOX-AWEZNQCLSA-N 277.364 2.893 0 1 CFAF O=C(Cc1ccccc1)Nc1ccc2cc[nH]c(=O)c2c1 49036545 LNXXSDWYRUADKS-UHFFFAOYSA-N 278.311 2.709 0 1 CFAF COc1cc(N2C(=O)NCCC[C@@H]2C)c2ncccc2c1 43060587 PFINPJCTNOIZFE-NSHDSACASA-N 285.347 2.942 0 1 CFAF NC(=O)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 143324778 OIZSJVYKVQUMJH-AWEZNQCLSA-N 293.244 2.564 0 1 CFAF CCC(=O)NC/C=C1\CCc2ccc3nc(C)oc3c21 96174391 IROSIMFNTNBWOY-XYOKQWHBSA-N 270.332 2.992 0 1 CFAF CCN(CC)c1cc(=O)n2c3ccccc3n(CC)c2n1 95592930 NOAVPZHGIVZTJL-UHFFFAOYSA-N 284.363 2.515 0 1 CFAF CC[C@@]1(c2ccn(C)n2)CC(=O)c2cc(C)cc(N)c2O1 587392874 WPQICLCDNXKMNM-INIZCTEOSA-N 285.347 2.581 0 1 CFAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587393143 CKTLFPHLAIOQRC-CQSZACIVSA-N 284.315 2.687 0 1 CFAF Oc1ncnc2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3F)nc12 587151351 HIPHINDADNSAHB-SFYZADRCSA-N 288.257 2.608 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cccc(N)c31)O2 587388586 FAUXTYBXZTUNHS-SFHVURJKSA-N 294.354 2.966 0 1 CFAF Nc1c(F)c(F)cc(-c2nc3ccc(O)cc3[nH]2)c1F 587137098 SRDXKIXATXBUIF-UHFFFAOYSA-N 279.221 2.935 0 1 CFAF CC[C@@H]1OCCC[C@@H]1c1nc2cc3nc(O)[nH]c3cc2[nH]1 586910336 HTRUVXVMVAJJII-SDBXPKJASA-N 286.335 2.817 0 1 CFAF [O-][n+]1ccccc1SCc1nc2cc(Cl)cnc2[nH]1 586969222 INWRJGKKHMQEPH-UHFFFAOYSA-N 292.751 2.537 0 1 CFAF O[C@H]1C[C@H](c2nc3c(Cl)ncnc3[nH]2)c2ccccc21 586901334 GZKWHNVBUJSWGL-UWVGGRQHSA-N 286.722 2.575 0 1 CFAF N=c1[nH]ccc2nc(-c3cc(N)cc4ccccc34)[nH]c12 587251670 KUBYWIHFNLHASC-UHFFFAOYSA-N 275.315 2.773 0 1 CFAF COc1ccc2nc(CCc3ccc(C)c(N)c3)[nH]c2n1 587250601 MRELZUAGDXFQHB-UHFFFAOYSA-N 282.347 2.642 0 1 CFAF CC[C@@H](C)C(=O)[C@@H](C)c1oc(=O)c(C)c(O)c1C 14594135 IJPRHCNTDLDONG-HTQZYQBOSA-N 252.310 2.681 0 1 CFAF CC(C)OC(=O)NCCn1ccc(-c2ccccc2)n1 1857548003 BEDWKPHSOFWVAV-UHFFFAOYSA-N 273.336 2.685 0 1 CFAF COc1ccc2c(c1)[C@@H]1C[C@@H](OC)C=C3CCN(CC2)[C@@H]31 33830263 UYXQAPQPXZLQHR-SZMVWBNQSA-N 285.387 2.754 0 1 CFAF COC(=O)/C(C(=N)c1c(F)cccc1Cl)=C(\C)O 1779851123 OTQPXVTYLZJXBF-LSRQXAJVSA-N 271.675 2.852 0 1 CFAF CCC(=O)NC[C@H]1CCc2c1c1ccccc1n2C 13777846 QCDSCNPIXVQLJK-LLVKDONJSA-N 256.349 2.734 0 1 CFAF COc1c(O)c2c3c(c1OC)CCN[C@H]3Cc1ccccc1-2 14775231 XLXSXOHBVGWKMT-ZDUSSCGKSA-N 297.354 2.819 0 1 CFAF Cc1ccc2c(O)cc(-c3ccc(N)cc3)nc2n1 13579568 CZXAHGMAYCNGTM-UHFFFAOYSA-N 251.289 2.893 0 1 CFAF c1ccc2c(c1)N=C(N1CCNCC1)c1cscc1N2 27990256 RPOZRSGRTCYDHA-UHFFFAOYSA-N 284.388 2.789 0 1 CFAF CC(=O)Oc1cc2c(c3ncccc13)OC(C)(C)C2 1652549 CZUJBHYKEBSVRK-UHFFFAOYSA-N 257.289 2.874 0 1 CFAF Cc1ccc(S(=O)(=O)[N@@]2C[C@H]2C2CCCCC2)cc1 2356320368 BTJYPSWDXLYTKQ-HOTGVXAUSA-N 279.405 2.948 0 1 CFAF CN1CCCC2(CCN(C(=O)Oc3ccccc3)CC2)C1 3956228 PBBLMZRXFJCFEL-UHFFFAOYSA-N 288.391 2.993 0 1 CFAF CC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@H]2CC[C@H]1N2C 100741834 VFHWZFOARRJNNR-FPCVCCKLSA-N 261.340 2.981 0 1 CFAF O=C(O)c1cccc2c1N[C@@H](c1ccccc1)CO2 29311750 LKILFGIVBAMPEC-GFCCVEGCSA-N 255.273 2.930 0 1 CFAF C[C@H]1CCc2c([nH]c(=O)c(-c3ccccc3)c2O)C1 26181486 VPWTZJBXKSFWRP-JTQLQIEISA-N 255.317 2.872 0 1 CFAF COc1ccc2ccc(C(=N)N)cc2c1-c1cnn(C)c1 26825111 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O=C(O)C1=C(C(=O)Nc2ccc(F)c(F)c2F)CCC1 26992051 DGFCQVSCSIBMIQ-UHFFFAOYSA-N 285.221 2.608 0 1 CFAF Fc1cccc(Cl)c1N(CC1CC1)C1=NCCN1 28230394 QVGCYJWQQAHNCZ-UHFFFAOYSA-N 267.735 2.655 0 1 CFAF CCOC(=O)[C@]12C[C@]1(C)c1cc(Cl)ccc1NC2=O 101057951 POGSINAVXAORJZ-ZIAGYGMSSA-N 279.723 2.503 0 1 CFAF CN1CC[C@@]23c4c5cccc4O[C@H]2CCC[C@@H]3[C@@H]1C5 27564538 HWXKCCDLLDWFIH-RMRKRWHISA-N 255.361 2.746 0 1 CFAF CC1(C)[C@H]2CC[C@@](C)(CO)[C@@H]3CC[C@](C)(O)[C@H]3[C@H]21 2356417928 QRNCFBFFFBWNIU-GHJPUPADSA-N 252.398 2.828 0 1 CFAF Cc1ccc(Oc2nc3ccsc3c3nnnn23)cc1 84672075 ZHGQKCPJDJSFTA-UHFFFAOYSA-N 283.316 2.835 0 1 CFAF NC(=S)N1N=C(c2ccc[nH]2)C[C@H]1c1ccc(F)cc1 49110040 SOMVAVPLBSNGKF-ZDUSSCGKSA-N 288.351 2.549 0 1 CFAF COc1cc2c3c(c1OC)-c1ccccc1C(=O)[C@H]3NCC2 238753501 HCSTWHOCFCLOMD-INIZCTEOSA-N 295.338 2.754 0 1 CFAF COC(=O)c1cccc(N2Cc3ccccc3CC2=O)c1 621476535 QNXUCOQYPWQEQG-UHFFFAOYSA-N 281.311 2.563 0 1 CFAF Nc1nc(-c2ccco2)nc2cn(-c3ccccc3)nc12 653853929 GTENTXFTCULQOC-UHFFFAOYSA-N 277.287 2.658 0 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290.330 2.578 0 1 CFAF O=C1CCc2cc(CCc3cccnc3)ccc2N1 13449988 DUWGUWUYWDCWGV-UHFFFAOYSA-N 252.317 2.752 0 1 CFAF CCCN1CCO[C@H](c2ccc(Cl)c(O)c2)C1 14191225 ODPCIOYTCBXSOI-ZDUSSCGKSA-N 255.745 2.829 0 1 CFAF CCN(CC)c1cc(NC(=O)c2ccccc2)nc(C)n1 169304108 KHNANIUNOIDHDH-UHFFFAOYSA-N 284.363 2.884 0 1 CFAF O[C@]1(c2cccc(Cl)c2)c2ccccc2C2=NCCN21 3610031 OYWHYTUIHQDEED-MRXNPFEDSA-N 284.746 2.609 0 1 CFAF CC1(C)COC(c2ccc3nc(N)ccc3c2)OC1 13584284 YTTUGTKDPVBCDZ-UHFFFAOYSA-N 258.321 2.889 0 1 CFAF CCOP(=O)(OCC)[C@@H](Cc1ccccc1)NC(C)=O 2351583 JFYKKTBPZJRJRG-AWEZNQCLSA-N 299.307 2.957 0 3 CFAF Cc1noc(C)c1-c1nc(N(C)C)c2ccccc2n1 4264703 FSMAKERAPJXUKQ-UHFFFAOYSA-N 268.320 2.968 0 1 CFAF O=C1O[C@H]2[C@H](C[C@@H]1Cc1ccccc1)C2(Cl)Cl 101266425 DBRQQOGLJMVSRB-DCAQKATOSA-N 271.143 2.965 0 1 CFAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1cccs1)CN32 100909203 ZLWKHMNSEAGVBX-SMINLBPRSA-N 289.400 2.787 0 1 CFAF COc1ccc(/C=C2\CCNC2=O)cc1OC1CCCC1 29125660 WWLAARLEYGTSDZ-JLHYYAGUSA-N 287.359 2.920 0 1 CFAF Cc1ccc(C(=O)O)c(C(=O)Nc2cccc(C)n2)c1 103233757 XYAWYYHZJAUHNX-UHFFFAOYSA-N 270.288 2.649 0 1 CFAF C=Cc1ccc(C(=O)c2ccc3n2CC[C@@H]3C(=O)O)cc1 25997332 MMQPGPFBKJDMQA-ZDUSSCGKSA-N 281.311 2.934 0 1 CFAF CSc1nc(N)c(N=O)c(NCCc2ccccc2)n1 73040803 APCBMCRXENACAS-UHFFFAOYSA-N 289.364 2.833 0 1 CFAF CCC(=O)NC1CCCN(C(=O)c2ccccc2)CCC1 73294170 WGZKYYWZDOFJCG-UHFFFAOYSA-N 288.391 2.598 0 1 CFAF COC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1 45357755 RMFDASBXQBLDIL-OUJBWJOFSA-N 272.175 2.727 0 1 CFAF CN(C)c1ccc(C2=NC(C)(C)C(C)(C)N2O)cc1 40828275 VEQUMYANWOECJX-UHFFFAOYSA-N 261.369 2.761 0 1 CFAF CCCC[C@@H]1C[C@H]([C@]2(CC)OC(=O)C[C@@H]2O)[C@@](O)(CC)C1 198941734 KILGSMQFCGHEAC-PYOKUCOHSA-N 298.423 2.801 0 1 CFAF O=C1CCc2cc([C@H](C3CC3)n3ccnc3)cc3c2N1CC3 95553136 CPGZFWITSZFDAF-KRWDZBQOSA-N 293.370 2.718 0 1 CFAF CC[C@@H](O)C(=O)OCCCCCc1ccccc1 95578608 NXJJGEPCDHFPSF-CQSZACIVSA-N 250.338 2.714 0 1 CFAF CC(=O)N1c2cc(COc3ccccc3)nn2CC[C@@H]1C 473149161 IHRUOBGUAASDAB-LBPRGKRZSA-N 285.347 2.607 0 1 CFAF O=C(CCc1ccccc1F)c1c(O)cc(O)cc1O 653838697 BUQQHEKXLHPQCI-UHFFFAOYSA-N 276.263 2.758 0 1 CFAF N=c1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c[nH]1 587153011 UUTQTPKMPOJRGH-BDAKNGLRSA-N 286.285 2.920 0 1 CFAF Cc1c(Cl)ccc2[nH]c(-c3ncc(N)cn3)nc12 587252924 TZIPJEJQYSWDLR-UHFFFAOYSA-N 259.700 2.564 0 1 CFAF COc1nccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c12 587089173 YYSQXMGIIGWNGW-MRVPVSSYSA-N 294.305 2.716 0 1 CFAF COc1cc2c3c(c1)O[C@]1(CCC[C@]4(C)O[C@@H]41)[C@@H](C2)C3=O 587449209 ALSVMOPANTYDEJ-GNCDUGFZSA-N 286.327 2.523 0 1 CFAF Oc1cccc2c1OCC(c1nc3ncc(F)cc3[nH]1)=C2 586907077 CWYGSJRTSLOSCP-UHFFFAOYSA-N 283.262 2.736 0 1 CFAF COc1cncc2nc(-c3csc4c3CCOC4)[nH]c12 587032158 PVYMLTMFODBZQZ-UHFFFAOYSA-N 287.344 2.768 0 1 CFAF CO[C@H](C)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874252 ZKJNCNFEXMIKBZ-SSDOTTSWSA-N 262.240 2.470 0 1 CFAF Nc1c(-c2nc3cnccc3[nH]2)cnc2c(F)cccc12 587177027 ZUHQWLGCYSFRNT-UHFFFAOYSA-N 279.278 2.894 0 1 CFAF CC(=O)CCC(=O)O[C@@H](Cn1ccnc1)c1ccccc1 1772580448 ILZZTNUHELZZGQ-HNNXBMFYSA-N 286.331 2.537 0 1 CFAF CC1=CC[C@H](C(C)(C)OC(=O)CSCCO)CC1 1857635905 AEBOHABDOARITH-LBPRGKRZSA-N 272.410 2.780 0 1 CFAF O=C(c1ccc(-c2cccc(F)c2)o1)n1cccn1 200027065 DLCZBUKYRXDHAL-UHFFFAOYSA-N 256.236 2.971 0 1 CFAF CC[C@@H](C)N=c1nc(O)n(Cc2ccccc2)cc1C 1857543733 RGRPCZBJCREETK-CYBMUJFWSA-N 271.364 2.645 0 1 CFAF CCSc1nnc(CNc2ccc(C)cc2)n1C 422056 YLAVTXQSFTVGKO-UHFFFAOYSA-N 262.382 2.848 0 3 CFAF C[C@]12N[C@@H](Cc3ccc(CO)cc31)c1ccccc12 100649119 MGHQMHINCTWWNB-DLBZAZTESA-N 251.329 2.643 0 1 CFAF COc1cc2c(cc1OC)C1(CCCCC1)C(N)=N2 103244969 HVBJBYLLEYYVBN-UHFFFAOYSA-N 260.337 2.908 0 1 CFAF C[C@H](c1ccc2cc(O)ccc2c1)P(=O)(O)O 26384231 PGJXQLVHMOZLBY-MRVPVSSYSA-N 252.206 2.784 0 1 CFAF c1ccc(CN2Cc3ccccc3-n3nncc3C2)cc1 61924095 HCWQLMFJNCIBJS-UHFFFAOYSA-N 276.343 2.783 0 3 CFAF CCCC(=O)N1CC[C@]1(C)C(=O)Nc1cccc(F)c1 61898907 ZSQOZCYKAAURCK-OAHLLOKOSA-N 278.327 2.555 0 3 CFAF CN(C)c1nc(-c2nccs2)c2sccc2n1 29047924 IWTXHGKRHJCTKE-UHFFFAOYSA-N 262.363 2.881 0 1 CFAF CC=C(C[C@@](O)(CC)CCCC)[C@H](O)CC(=O)OCC 2356538814 RKEPFFPHCGFVOF-GDBMZVCRSA-N 286.412 2.968 0 1 CFAF CO[C@]12C[C@@]3(O)CCC[C@H](C)[C@@]3(C)CC1=C(C)C(=O)O2 39083049 JBJXGXTVNLBXHY-YVFQKMDQSA-N 280.364 2.554 0 1 CFAF CCC[C@@H](O)CC(=O)CCc1ccc(O)c(F)c1 1911581179 LBLWOOIUJKSMHH-LLVKDONJSA-N 254.301 2.584 0 1 CFAF FC1(F)CN(Cc2cccc3c2CC[C@@H]3c2ncc[nH]2)C1 40980571 NRUIPECSHDXYIS-AWEZNQCLSA-N 289.329 2.939 0 1 CFAF CC(C)[C@H]1CC[C@]2(C)[C@@H](O)CCC(C(=O)O)=C[C@H]12 238778061 AFZYVLSAQGQODC-CXTNEJHOSA-N 252.354 2.841 0 1 CFAF O=c1c2ccccc2[nH]n1Cc1c[nH]c2ccccc12 147692547 IAJFPXRONWWXNK-UHFFFAOYSA-N 263.300 2.859 0 1 CFAF Nc1ccc(-c2cncc([C@@H]3C[C@H]4CC[C@H]3N4)c2)cc1 261125696 KEUJFPCKMLEDQK-IXDOHACOSA-N 265.360 2.939 0 1 CFAF in-vitro CC(C)[C@@H]1CCCc2cc3c(O)nc(O)nc3nc21 587562081 PIHWYUOFZALCDF-VIFPVBQESA-N 259.309 2.512 0 1 CFAF COC1=Cc2nc3cccc4c3c(c2[C@@H](C(=O)O)C1)CC4 587213564 JEEXXHLJWQNZFB-LBPRGKRZSA-N 281.311 2.893 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)CCC[C@@H]3c1ccccc1 587560853 ARGSYOQXPZOHGV-LLVKDONJSA-N 293.326 2.904 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Cc2ccccc21 587408592 QIMUXVJSOAGSGC-SFHVURJKSA-N 293.322 2.563 0 1 CFAF CCCC1(c2nc3c(O)nc(S)nc3[nH]2)CCC1 586877518 BKVDLULPNOLRNH-UHFFFAOYSA-N 264.354 2.569 0 1 CFAF C[C@@H]1CCc2sc(-c3nc4c(O)ncnc4[nH]3)cc2C1 587033572 JPLJTIFHOBYQQB-SSDOTTSWSA-N 286.360 2.912 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCCC[C@H]1O)O2 587405246 VCYKLWQYJJQGHL-WBVHZDCISA-N 289.375 2.996 0 1 CFAF Nc1ccc(C(=O)CCc2nc3ccccc3[nH]2)cc1 587252353 YSAVTKLWWYUAPL-UHFFFAOYSA-N 265.316 2.961 0 1 CFAF O=C(O)C1=C[C@H](c2ccccc2)N(c2ccccc2)N1 957741150 SFCKIFLILXLQDR-OAHLLOKOSA-N 266.300 2.721 0 1 CFAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1cnccn1 963097025 FGRHIFCKVIGRQO-CJNGLKHVSA-N 269.323 2.726 0 1 CFAF COC(=O)[C@@H]1[C@H](c2ccccc2)[N@@]1Cc1ccccc1 1857546634 CWIVVRPOHJFJTG-XYJFISCASA-N 267.328 2.785 0 1 CFAF O=C1[C@H]2CC=CC[C@@H]2C(=O)C12CCc1ccccc12 1617085 UJUMWICRKXFWGH-STQMWFEESA-N 252.313 2.605 0 1 CFAF CC1=C[C@H]2Cc3nc(O)ccc3[C@]3(C1)[C@@H]2CCCN3C 100920564 JCINWKNLTDEYIA-AHIWAGSCSA-N 270.376 2.847 0 1 CFAF CC(=O)N1N=C(c2ccc(F)cc2)O[C@H]1c1ccco1 103222074 JDRJDLCGQCXLMV-AWEZNQCLSA-N 274.251 2.658 0 1 CFAF CNC(=O)[C@@H](OC)c1ccccc1COc1ccccc1 103177175 IQUNKQCFTNPUAR-INIZCTEOSA-N 285.343 2.699 0 1 CFAF O=c1sc(Nc2ccc(Cl)cc2)nc2[nH]ncc12 103214779 GSVRKOTZZJGIEX-UHFFFAOYSA-N 278.724 2.777 0 1 CFAF O=C(O)c1cccc2c1CC[C@@H]2CCn1ccnc1 28763172 WFKBIJRTYHZURJ-LLVKDONJSA-N 256.305 2.701 0 1 CFAF COc1ccc2[nH]cc3nc(-c4ccon4)nc-3c2c1 100773998 MXPGKRAGPSPNPU-UHFFFAOYSA-N 266.260 2.726 0 1 CFAF O=C1C[C@@H]2CC[C@H](C1)N2CCCC(=O)c1ccc(F)cc1 29252424 JSYYJKRFHUQKLJ-GASCZTMLSA-N 289.350 2.985 0 1 CFAF CCCC=CC[C@]1(O)C2=C3[C@H](CC[C@H]3NC(=N)N2)C[C@H]1C 2356573682 WTICYUAMPJXZON-HPTBWKMGSA-N 289.423 2.664 0 1 CFAF CC1=CCC[C@H](C)[C@H](C)OC(=O)CC[C@@](C)(O)C=C[C@H]1O 2356604340 YFBAYNVMPAOPKZ-FAYQHZLMSA-N 296.407 2.743 0 1 CFAF OCCOCn1c(S)nc2c(Cl)c(Cl)ccc21 27999815 PJDATULEXQRGFA-UHFFFAOYSA-N 293.175 2.598 0 1 CFAF CC(C)N1CCC(Oc2ccc3c(c2)CCNCC3)CC1 38439459 XFMAJARUDAULHP-UHFFFAOYSA-N 288.435 2.626 0 1 CFAF C[C@@H](CCOC(=O)c1cccc(Cl)c1)n1cncn1 43011922 ONDBKHWOZXLRLM-JTQLQIEISA-N 279.727 2.740 0 1 CFAF Oc1ncc2c(n1)-c1[nH]c3ccccc3c1CCC2 82148970 PTFTVXABEFYIMF-UHFFFAOYSA-N 251.289 2.819 0 1 CFAF CC(C)[C@@H](CO)Nc1nccc2[nH]c(-c3ccco3)nc12 82082398 RLTCMEBKAKHVHJ-LLVKDONJSA-N 286.335 2.647 0 1 CFAF O=C1N(C[C@H]2CCCNC2)CCN1c1cccc(Cl)c1 49054325 FRYFTASOYSPSFB-LBPRGKRZSA-N 293.798 2.582 0 1 CFAF CCC[C@H]1CC(=O)c2sc(N3CCOCC3)nc2C1 40394916 AOSUHMQSUDRPGF-SNVBAGLBSA-N 280.393 2.525 0 1 CFAF CCC[C@H](C)c1ccc(N2C(N)=NC(N)=NC2(C)C)cc1 45301426 GWIAGHLDTOUCBG-NSHDSACASA-N 287.411 2.776 0 1 CFAF Cc1ccc2nnc(-c3cccc(Br)c3)n2n1 82060425 RBGTUNJJHBYJJN-UHFFFAOYSA-N 289.136 2.862 0 1 CFAF O=C(NC1CC1)c1nc(C(F)(F)F)[nH]c1-c1ccccc1 95566430 SMDMBCZYMKZMDI-UHFFFAOYSA-N 295.264 2.988 0 3 CFAF CCN1CCN[C@H]2c3c(C)c4ccccc4n3CC[C@H]21 253793117 VQBGLWJDSULYBU-HZPDHXFCSA-N 269.392 2.688 0 1 CFAF Nc1ncc(Cl)nc1-c1nc2ccc3ncccc3c2[nH]1 587086289 DUWHSPRQVIJECA-UHFFFAOYSA-N 296.721 2.804 0 1 CFAF COc1cc2nc(C[S@@](=O)CC3CC3)[nH]c2cc1C 586959196 MCZVNNNUVIYOIV-IBGZPJMESA-N 278.377 2.539 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC=Cn3cc(C)nc31)O2 587394182 RFMJABKHWAITAQ-KRWDZBQOSA-N 295.342 2.817 0 1 CFAF COc1cc2c3c(c1)O[C@]1(CCCSC1)[C@@H](C2)C3=O 587449324 ABYKKHKUHTZMSF-NHYWBVRUSA-N 276.357 2.708 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccnc(O)c1)O2 587394450 VBYKZWIZDRSUQR-MRXNPFEDSA-N 284.315 2.558 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=COC1(C)C)O2 587414491 VMXIRKFLPAISIY-OAHLLOKOSA-N 259.305 2.604 0 1 CFAF Cc1cncc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c12 587163149 NHFMKZUWFYGGFV-UHFFFAOYSA-N 298.321 2.977 0 1 CFAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)[C@@H]1CCCO1 963032515 JNWZHQUJJAEXQM-YJBOKZPZSA-N 298.386 2.783 0 1 CFAF Cc1[nH]c2ncnc(N[C@H]3CC[C@H](N(C)C)CC3)c2c1C 1772607822 KZQFVVXWGJWYKK-JOCQHMNTSA-N 287.411 2.859 0 1 CFAF CCC[C@@H]1CC(=O)C[C@@]2(O1)C(=O)Nc1ccc(C)cc12 1772577959 GFWAELYPRBWYTG-WBMJQRKESA-N 273.332 2.691 0 1 CFAF COc1cc(Br)c2c3c1[C@H](CN)CC[C@H]3CO2 13525299 AUCHXXIFGAHPKU-YUMQZZPRSA-N 298.180 2.770 0 1 CFAF O=Nc1c(O)[nH]c2cc(Cl)cc(Cl)c2c1=O 13757442 CCHANKFDJCNRBT-UHFFFAOYSA-N 259.048 2.938 0 1 CFAF c1ccc2c3c([nH]c2c1)[C@H]1[C@H]2CCCCN2CN1CC3 19320060 JZUJEEJLBUKNDP-NVXWUHKLSA-N 267.376 2.893 0 1 CFAF CO[C@@H]1CC(COCc2ccccc2)C[C@@H](OC)O1 1861648 PXFKOSQMSTUDRQ-GJZGRUSLSA-N 266.337 2.575 0 1 CFAF COc1c(O)c(C)c(CC=C(C)C)c(O)c1OC 2047402 TVLSKGDBUQMDPR-UHFFFAOYSA-N 252.310 2.932 0 1 CFAF biogenic,in-man CC[C@@H]1CN2CC[C@H]1C[C@H]2CNCc1ccc(OC)cc1 2356305757 DBVYPDVCRPZJLK-IKGGRYGDSA-N 288.435 2.905 0 1 CFAF COC(=O)[P@@](=O)(OC)Oc1ccc(C(C)=O)cc1 3653648 RPXVINQTOFHSTL-GOSISDBHSA-N 272.193 2.874 0 1 CFAF CCc1c2c(c(C)[nH]c1=O)C[C@H](c1ccncc1)CC2 3780366 IITRYRLGHKBVST-CYBMUJFWSA-N 268.360 2.913 0 1 CFAF COC(=O)C1=C(c2ccc3ccccc3c2)[C@@H]2CC[C@H]1N2 28825730 VMBQININAKGPQP-LSDHHAIUSA-N 279.339 2.901 0 1 CFAF COc1ccc2c(c1)[C@@H](c1ccc(C(C)=O)o1)OC2=O 29310340 KTVRYSLCSNORPS-AWEZNQCLSA-N 272.256 2.751 0 1 CFAF COC(=O)C(=N)/C=C(\O)c1cccc(Br)c1 28259782 FPLFFYPGNJRAFL-VMGPJTKCSA-N 284.109 2.541 0 1 CFAF CCCCOc1noc(C)c1C1=CCCN(C)C1 27884151 ZQZJOUMEMXCIBT-UHFFFAOYSA-N 250.342 2.881 0 1 CFAF CNC(=O)Oc1cccc2c1SC[C@H]1CCN(C)[C@H]21 28467627 HDQBOOHWHLECAC-SKDRFNHKSA-N 278.377 2.503 0 1 CFAF CO[C@@]1(C)Cc2ccc3c(c2CO1)O[C@@H](C(C)C)C3=O 2356719279 UBHRGEKXMCFPAP-GOEBONIOSA-N 276.332 2.722 0 1 CFAF C[C@@]12CCC[C@@](O)(C1)[C@@H]1CC3(CCCC3)[C@]1(CO)[C@@H](O)C2 2356768696 RLXIIDVTPCQPSG-YDRHNJASSA-N 294.435 2.621 0 1 CFAF CC[C@@](C)(O)C[C@@H](C)c1cc(OC)c(C)c(=O)o1 2356809745 ASQJXEOZHCDEDM-YMTOWFKASA-N 254.326 2.611 0 1 CFAF COc1cccc([C@H]2NCCc3cc(O)ccc32)c1OC 3703487 OLYFSVRCYJMDBU-INIZCTEOSA-N 285.343 2.645 0 1 CFAF biogenic Cn1cnc(/C=C/c2ccnc(N)n2)c1-c1ccccc1 40836678 OMPMLUVXZBMWAN-BQYQJAHWSA-N 277.331 2.630 0 1 CFAF c1coc(C2=NCc3ccnc(OC4CCOCC4)c32)c1 96175973 UXFAPMLYLMIESZ-UHFFFAOYSA-N 284.315 2.583 0 1 CFAF Cc1nc2ccncc2n2c(-c3cncc(Cl)c3)nnc12 299865808 OCWQKNBHGUKZDI-UHFFFAOYSA-N 296.721 2.696 0 1 CFAF CCC[C@H](C)c1cc(=O)n(C(=O)N(CC)CC)o1 299865050 NBMRZMOXHBSDEA-JTQLQIEISA-N 254.330 2.655 0 1 CFAF C[C@@H]1O[C@H]1c1nc2cc(Br)cc(F)c2[nH]1 586916828 GFFZIMBDUNCZBV-AJAUBTJJSA-N 271.089 2.924 0 1 CFAF CC(C)C(=O)c1c(CO)oc2cc(Br)cnc12 587273305 JWWSMISUTVYLOQ-UHFFFAOYSA-N 298.136 2.921 0 1 CFAF CCn1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)n1 587876640 VAIODGWCGRHHQB-UHFFFAOYSA-N 298.277 2.700 0 1 CFAF COC(=O)Cc1ccccc1-c1nc2c(C)ccnc2[nH]1 587783549 UWSKJUKULJDDAF-UHFFFAOYSA-N 281.315 2.649 0 1 CFAF CN[C@H](c1cccnc1)c1nc2ccc(SC)cc2[nH]1 587224952 IWYNYVXFQQRBQQ-CQSZACIVSA-N 284.388 2.989 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN3CCCC[C@@H]31)O2 587396290 YIQONAUPTUBWEK-NVXWUHKLSA-N 286.375 2.539 0 1 CFAF C[C@@H](c1cc(OC(=O)N(C)C)c2ncccc2c1)N(C)C 1857567524 KRJZJRKYDVCFND-NSHDSACASA-N 287.363 2.918 0 1 CFAF NCc1cc(-c2cccnc2)nc(C(F)(F)F)c1 1857618246 ABRVLXLNVJHDRQ-UHFFFAOYSA-N 253.227 2.621 0 1 CFAF Cc1cc(O)ccc1-n1cc(-c2cccc(O)c2)nn1 1857762992 IWZVMAXEHSDRBZ-UHFFFAOYSA-N 267.288 2.654 0 1 CFAF O=C1N=C2Nc3ccccc3C(=O)N2/C1=C/c1cccs1 5823128 JABUAYOUKDOMPV-XYOKQWHBSA-N 295.323 2.553 0 1 CFAF NC1CN(C2c3ccccc3CCc3ccccc32)C1 19368346 VSTTXWATQKCPGB-UHFFFAOYSA-N 264.372 2.518 0 1 CFAF O=c1cc(N2CCOCC2)oc2c3c(ccc12)CCCC3 3123 NTWWPYPJDJHUMF-UHFFFAOYSA-N 285.343 2.508 0 1 CFAF c1ccc(-c2cnc(Nc3cc[nH]n3)n3cncc23)cc1 29409030 YKLUSTFTYWQZTJ-UHFFFAOYSA-N 276.303 2.863 0 1 CFAF Cc1nc(C)c2c(=O)n(Cc3ccc(Cl)cc3)[nH]cc1-2 104336382 VDZJOBRXCYJROQ-UHFFFAOYSA-N 287.750 2.995 0 3 CFAF OCCN1[C@H]2Cc3ccccc3[C@@H]1c1ccccc12 27888549 ZICXADCUXFAAOU-DLBZAZTESA-N 251.329 2.681 0 1 CFAF C[C@H]1NC(NCC(F)F)=Nc2cccc(Cl)c21 29130379 JDPGHZDOBUGUDU-ZCFIWIBFSA-N 259.687 2.846 0 1 CFAF CN(C)C=C(C(=O)Nc1c(F)cccc1F)C(F)(F)F 2356855743 RSWLFDZFJFSZRI-UHFFFAOYSA-N 294.223 2.911 0 1 CFAF CC(=Cn1nnnc1C(F)(F)F)c1ccccc1 2356863751 USLYBKVDQYCANO-UHFFFAOYSA-N 254.215 2.710 0 1 CFAF Cn1cc[n+](COC(=O)[C@H](c2ccccc2)C2CCCC2)c1 27546486 KFRONXJDFUNIJM-QGZVFWFLSA-N 299.394 2.787 0 1 CFAF COc1ccc(-c2cc3ccccc3c(=O)n2CCO)cc1 36388786 GSWQSNXIYBGQCS-UHFFFAOYSA-N 295.338 2.669 0 3 CFAF CC[C@@]1(CC(=O)O)OCCc2c1[nH]c1c(OC)cccc21 39198785 CJVBTTVRMUBYHX-INIZCTEOSA-N 289.331 2.829 0 1 CFAF Cc1cccc(-c2nccn2-c2cccc(CC(=O)O)c2)n1 77460011 UMUBKDCPBROUFT-UHFFFAOYSA-N 293.326 2.870 0 1 CFAF COc1ccc(/C=C2\C(=O)Nc3ccc(N)cc32)cc1 45338024 DYCBCUFDDRQCID-ZSOIEALJSA-N 266.300 2.770 0 1 CFAF in-vivo Fc1cccc(-c2cncnc2)c1[C@@H]1Cc2nccn2C1 40875465 MXXSIQQCMWZCJR-LLVKDONJSA-N 280.306 2.819 0 1 CFAF CCn1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587390360 GUOFVVIIVFXYRQ-CQSZACIVSA-N 271.320 2.500 0 1 CFAF O=C(O)/C=C/C=C/c1nc2cc(Br)ccc2[nH]1 587965957 QVUZXMVFXDLEEQ-ZPUQHVIOSA-N 293.120 2.979 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1n[nH]c(C)c1Cl)O2 587378803 QCUULSWUHJWXMU-NSHDSACASA-N 291.738 2.969 0 1 CFAF Oc1nccc2nc(COC/C=C/c3ccccc3)[nH]c12 587781581 XGTNHGKZQPLZJQ-QPJJXVBHSA-N 281.315 2.894 0 1 CFAF COc1ccc(Sc2ccc3nc(N)nc(N)c3c2)cc1 169337668 VNLVZGRBERBUNJ-UHFFFAOYSA-N 298.371 2.954 0 1 CFAF Cc1cc(C2CCCCC2)n(O)c(=O)c1CNC(C)C 1857540966 BGJNQSCTUGLQHD-UHFFFAOYSA-N 278.396 2.940 0 1 CFAF CC1(C)CC(=O)c2c(nc3nc4ccccc4n3c2N)C1 5129363 IZHRUQFEANVHBQ-UHFFFAOYSA-N 280.331 2.620 0 1 CFAF C=C[C@](C)(O)CCC[C@H](C)C(=O)/C=C/C(C)(C)O 13321825 POBIEWKRMCMVFH-HAGUTBJNSA-N 254.370 2.626 0 1 CFAF biogenic CC[C@@]1(C)SC(NC2C3CCC2CC3)=NC1=O 14978749 XMGUIUDPFNFXJZ-HEJPYPEKSA-N 252.383 2.563 0 1 CFAF COP(=O)(OC)c1ccc(C(F)(F)F)cc1 221528225 MCZBOCRWDQOCCV-UHFFFAOYSA-N 254.144 2.817 0 1 CFAF O=C1N[C@@H](c2ccccc2)c2c(-c3ccccc3)n[nH]c21 52435 ANHZOPGKKKNIDR-AWEZNQCLSA-N 275.311 2.910 0 3 CFAF O=c1ccn(-c2cccc(-c3ccccc3)n2)cc1O 118888500 CLXASNPRYTUWKJ-UHFFFAOYSA-N 264.284 2.605 0 1 CFAF C[C@H](O)c1cccc2c1S(=O)(=O)c1ccccc1O2 13779754 ZETFADRORWAXBD-VIFPVBQESA-N 276.313 2.678 0 1 CFAF C[C@H]1CCCN(Cc2nnnn2-c2ccc(Cl)cc2)C1 4183488 RVLQCOVUISJFPW-NSHDSACASA-N 291.786 2.548 0 1 CFAF O=C(c1ccc(F)cc1F)c1ccc2n1CC[C@@H]2C(=O)O 25994885 AGRMEOPXYBLKBO-JTQLQIEISA-N 291.253 2.569 0 1 CFAF CN1[C@H]2CC[C@@H]1CC(NC(=O)c1c[nH]c3ccccc13)C2 29566236 VZCWUXOAPXKZHI-YHWZYXNKSA-N 283.375 2.523 0 1 CFAF CN1[C@H]2CC[C@@H]1CC(NC(=O)N1CCCc3ccccc31)C2 29560436 LQAZUOYNZJPCBQ-MQVJKMGUSA-N 299.418 2.774 0 1 CFAF CC(=C[C@@H]1CC[C@H](C)[C@@H]2C1=C(C)C[C@H]2O)C(=O)O 2356663827 XJNQXTISSHEQKD-VVHPZPEWSA-N 250.338 2.761 0 1 CFAF CN1CC=C(c2nsnc2SCCCF)CC1 27874586 MQQTXUFKUNPHAR-UHFFFAOYSA-N 273.402 2.709 0 1 CFAF CCc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1 221466538 CWSWYXJIGBYOLI-UHFFFAOYSA-N 282.347 2.537 0 1 CFAF CCCC(=O)N1CCC[C@]2(CC[C@H](CCC(C)=O)O2)C1 96019023 NNNCFWBJKLWANC-HOCLYGCPSA-N 281.396 2.696 0 3 CFAF COc1c(O)cc2c3c1-c1ccccc1C(=O)[C@H]3NC=C2 238778079 QENJHNQGWYKNJB-HNNXBMFYSA-N 279.295 2.879 0 1 CFAF Fc1ccccc1CCc1nc2nc(Cl)c[nH]c-2n1 587149794 KZPAUFNYNTXWOP-UHFFFAOYSA-N 276.702 2.882 0 1 CFAF Nc1ncc(Cl)nc1-c1nc2ccc(Cl)cc2[nH]1 587086425 JUNIFKXHGULCDI-UHFFFAOYSA-N 280.118 2.909 0 1 CFAF C[C@H](O)Cc1nc2cc(Cl)cc(Br)c2[nH]1 586890871 PBLKEROPSFLSMH-YFKPBYRVSA-N 289.560 2.902 0 1 CFAF Cn1cc(-c2ncc(-c3nc4ccc(O)cc4[nH]3)s2)cn1 587021940 RDSMSOFDRJAYRN-UHFFFAOYSA-N 297.343 2.793 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](C1=COCCO1)CC2=O 587486435 LARVUKWUAYVDLG-CQSZACIVSA-N 290.315 2.567 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)[C@@H]1CCCC[C@H]1CC3 587562331 WTMZTQRJJIBLJZ-WCBMZHEXSA-N 271.320 2.656 0 1 CFAF COc1ccc2nc(COc3ccc(F)cc3)[nH]c2n1 587168019 CWCNTVUIGMIIHB-UHFFFAOYSA-N 273.267 2.685 0 1 CFAF Cc1c(-c2nc3cc(N)c(N)cc3[nH]2)oc2c1[C@H](O)CCC2 586904892 CZLUINBUGGCLFT-GFCCVEGCSA-N 298.346 2.665 0 1 CFAF CSC[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]2O1 31544265 GYUHVILBXXBZDS-SGIREYDYSA-N 288.416 2.827 0 1 CFAF NC1=NC[C@H](c2ccccc2)N1CC1CCCCC1 12726974 OGAADMDJGJTONB-OAHLLOKOSA-N 257.381 2.938 0 3 CFAF Cc1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@@H]1C(=O)O)[C@@H]1C[C@H]21 13154356 HQGWLWWXSRABAP-NXNLJZTQSA-N 297.354 2.702 0 1 CFAF CC1(C)C=C(n2ccccc2=O)c2cc(C=O)ccc2O1 13795398 SEUHPJVDXFLOCH-UHFFFAOYSA-N 281.311 2.721 0 1 CFAF c1ccc(CN[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@@H]6C[C@H]([C@H]25)[C@@H]3[C@@H]46)cc1 169300499 ZWCQZHOWEDKJBN-DXIDWGOUSA-N 251.373 2.923 0 1 CFAF Cn1c(=O)n(-c2ccccc2)c2c3ccccc3ncc21 169354055 PBLCTBXKZUPBHU-UHFFFAOYSA-N 275.311 2.877 0 1 CFAF Cc1c(CC(N)=O)c2cc(O)ccc2n1Cc1ccccc1 13445726 GDDVEHDUMMPABM-UHFFFAOYSA-N 294.354 2.731 0 1 CFAF CC1=C[C@@H]2OC(=O)[C@H](C)[C@@H]2CC[C@H](C)C(=O)CC1 2356311521 XGVLEFRYWCUHGZ-OPDFLTKYSA-N 250.338 2.890 0 1 CFAF CCCCNC(=O)[C@]1(C)CON=C1c1cccc(Cl)c1 2470680 ZYLTZXYGFDFWCP-OAHLLOKOSA-N 294.782 2.997 0 1 CFAF Cc1c2c(nc3c(C(=O)NC4CCCC4)cnn13)CCCC2 3035457 JGOJIIHFGZLPDQ-UHFFFAOYSA-N 298.390 2.589 0 3 CFAF COC(=O)[C@@H](OC)[C@H](Oc1ccccc1)c1ccccc1 2356284092 NPTMPKBEAUYEAM-CVEARBPZSA-N 286.327 2.995 0 1 CFAF CC[C@H]1CC(=O)C[C@@]23CCN(C)[C@H](Cc4ccc(O)cc42)[C@H]13 101218364 SZIGYSMMOMTFKG-BTINSWFASA-N 299.414 2.896 0 1 CFAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1OC[C@@H]2O 26988898 JHBGIEZIDJQZJI-BQJWPVKWSA-N 274.360 2.598 0 1 CFAF Nc1nc(N)c2c(OCc3ccc(F)cc3)cccc2n1 28971275 LWPQVIXUWJCPMA-UHFFFAOYSA-N 284.294 2.512 0 1 CFAF Cc1nnc2n1-c1ccc(Cl)cc1C(=O)N1CCC[C@@H]21 29404319 MPCGVABZTDTCHV-LBPRGKRZSA-N 288.738 2.520 0 1 CFAF CCC[C@@H](C)N/C=C1\N=C(c2ccc[nH]2)C=C1OC 64373380 DVLNNWDGFQXJNR-UXEDPAHQSA-N 259.353 2.967 0 1 CFAF CC(=O)O[C@H](CC[C@H](C)[C@@H]1C=C[C@](C)(O)CC1)C(C)(C)O 2356542176 MRRPERXTYAKYME-CRNXPOROSA-N 298.423 2.823 0 1 CFAF CN1CCCC[C@H]1Cc1nc(Cc2cccc(F)c2)no1 20855565 WGJSRTNYGDRREC-AWEZNQCLSA-N 289.354 2.826 0 1 CFAF COC(=O)C=Cc1ccc(OCOC(C)C)cc1 2356705498 QDVPEDIIWJSNEI-UHFFFAOYSA-N 250.294 2.634 0 1 CFAF COc1ccc2[nH]c3c(c2c1)CCN(C(C)C)[C@@H]3C(=O)O 28948090 XXOITNYOVMAEAC-HNNXBMFYSA-N 288.347 2.569 0 1 CFAF c1ccc(Nc2nc3c(s2)CCc2n[nH]cc2-3)nc1 72116333 MIOXQGMSPSEKCA-UHFFFAOYSA-N 269.333 2.770 0 1 CFAF CCC[C@@H](O)CC(=O)CCc1cc(F)cc(OC)c1 1911575301 NRVOBFFWKIRMFQ-CYBMUJFWSA-N 268.328 2.887 0 1 CFAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1OC[C@@H]2O 40477006 JHBGIEZIDJQZJI-JSRQGNBESA-N 274.360 2.598 0 1 CFAF C[C@H](CCOC(=O)N(C)Cc1ccccc1)N(C)C 40976967 UJPISKKZQVLXEM-CYBMUJFWSA-N 264.369 2.595 0 1 CFAF O=C(O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)O)[C@H]1c1ccccc1 238751279 QWFRRFLKWRIKSZ-LDKKBFSKSA-N 296.322 2.969 0 1 CFAF Cc1ccc2nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c2n1 587158828 XXEPGGRHJMBVGL-MEDUHNTESA-N 282.322 2.747 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(C)c(C)n1C)O2 587390804 OCMQNBVQHTUUQC-CQSZACIVSA-N 285.347 2.634 0 1 CFAF C[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C 587517196 IUBXZIRVPGLPGY-SGTLLEGYSA-N 285.387 2.993 0 1 CFAF COc1cc2nc(CC3CC(N)C3)[nH]c2cc1Cl 587254989 BAIVFYGEVIUDNS-UHFFFAOYSA-N 265.744 2.505 0 1 CFAF OCCc1ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c1 587175294 XKQZOKIHLFHRPS-INIZCTEOSA-N 298.317 2.913 0 1 CFAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(C(=O)O)C1 587478725 BQGYMPJVSGBGOL-UHFFFAOYSA-N 290.315 2.543 0 1 CFAF Cc1nc(Br)sc1-c1nc2cncnc2[nH]1 587011978 UETBZEXHDQNRDD-UHFFFAOYSA-N 296.153 2.547 0 1 CFAF CNS(=O)(=O)c1ccccc1-c1ccccc1Cl 1772633237 LUEVNPMYVQJORR-UHFFFAOYSA-N 281.764 2.915 0 1 CFAF Cc1cccc([C@]23SCCN2C(=O)c2ccccc23)n1 5931314 BRGBZAQYJOQKQK-INIZCTEOSA-N 282.368 2.794 0 1 CFAF Cc1cccc(N2C(=O)[C@H]3[C@H](C)C=CC[C@H]3C2=O)c1 18010340 HLDZTPNEVSSEBN-BNOWGMLFSA-N 255.317 2.697 0 1 CFAF Nc1cnccc1NC(=O)c1ccc2ncsc2c1 169303163 RZKYBPDCQRLSDV-UHFFFAOYSA-N 270.317 2.526 0 1 CFAF CC(=O)[C@@H]1C(C)=Nc2ncnn2[C@@H]1c1ccc(Cl)cc1 169687146 ZVEDMXPXXJJTCR-QWHCGFSZSA-N 288.738 2.832 0 1 CFAF O=C(Cn1ncc2ccc(Cl)cc21)N1CCCCC1 6768146 SLPJNKXVIOYEFT-UHFFFAOYSA-N 277.755 2.702 0 1 CFAF C[C@@H](C(=O)O)c1cc(C(=O)c2ccccc2)ccc1O 13558296 CCJUIADWUOKEND-SNVBAGLBSA-N 270.284 2.811 0 1 CFAF O=C1Oc2ccc(O)cc2/C1=C/c1cccc(F)c1 53230066 WZBJDJWWPIGWPF-QPEQYQDCSA-N 256.232 2.991 0 1 CFAF CCN(CC)c1ncnc2c1ncn2Cc1ccccc1F 25968339 WEOASIHMXJYHMV-UHFFFAOYSA-N 299.353 2.860 0 1 CFAF c1ccc2c(c1)N[C@@H]1CC[C@H]3[C@H]4CCO[C@@]35N(CC4)CC[C@]215 2356647779 VXULHDGVSWUSAZ-AJVNXVRISA-N 296.414 2.971 0 1 CFAF CC(=CCC[C@@H](C)CO)c1ccc(C(=O)O)cc1O 2356797537 OBFGWJDPNCOFSV-SNVBAGLBSA-N 264.321 2.902 0 1 CFAF CC1=CC(CSC(=N)N)=C(O)[C](C(C)(C)C)N1 2356872672 PLELFADSBUJGIA-UHFFFAOYSA-N 254.379 2.510 0 1 CFAF Clc1ccc(CCN2CCOCC2)c(Cl)c1 31840259 VXCRIFQZNKESDG-UHFFFAOYSA-N 260.164 2.868 0 1 CFAF CN(CCO)c1cc(Oc2cccc3ccccc23)ncn1 82067789 DUCFUEGKIUPNDO-UHFFFAOYSA-N 295.342 2.851 0 1 CFAF CC(C)Cc1nc2nc(N3CCC[C@H]3C)ccc2[nH]c1=O 82231328 IQCWUWQYUZWMOM-LLVKDONJSA-N 286.379 2.505 0 1 CFAF CCCCc1nc2nc(N3CCC[C@H]3C)ccc2[nH]c1=O 82231355 HDZIPEAKHKRKAG-LLVKDONJSA-N 286.379 2.649 0 1 CFAF CCn1c(NC(C)(C)C)nc2ccsc2c1=O 299864315 MCRSMAHTXXHTSW-UHFFFAOYSA-N 251.355 2.688 0 1 CFAF C/C=C(\C(=O)OCC)[C@H](O)c1ccccc1Cl 299839550 SLJQEDCPKMZFCM-PPFSTCQPSA-N 254.713 2.883 0 1 CFAF NC[C@@H]1C[C@H]1c1cc(Cl)c(F)cc1OCCF 653715000 VDLBSMJQDHUJPK-JGVFFNPUSA-N 261.699 2.890 0 1 CFAF CC(C)(Cl)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587009149 XMWWNVXIBCUHDI-UHFFFAOYSA-N 264.638 2.797 0 1 CFAF CN(C)CCOc1ccc2nc([C@@H](N)C(C)(C)C)[nH]c2c1 587257594 HHXVTIIOJHTTBU-CQSZACIVSA-N 290.411 2.549 0 1 CFAF Oc1cccc2nc(CSc3nnc(S)s3)[nH]c12 587025845 RVUHPRKOQUBRPU-UHFFFAOYSA-N 296.402 2.701 0 1 CFAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(N)c(N)cc2[nH]1 587163517 LJPCFTRZLPDXQX-HNNXBMFYSA-N 299.353 2.517 0 1 CFAF O=NC(=O)c1cccc(NC(=O)c2ccccc2)c1 584905702 BZGLPPUMZXGKFN-UHFFFAOYSA-N 254.245 2.846 0 1 CFAF in-vitro COc1cccc(Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1 587930973 KURJOEUCONUIKH-INIZCTEOSA-N 296.330 2.886 0 1 CFAF OCCc1ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 586903921 RCXGTEIWAVSDHW-RHSMWYFYSA-N 294.354 2.667 0 1 CFAF COc1cncc2nc([C@](F)(Cl)C(F)(F)F)[nH]c12 587090757 XFQPDNCKQIFHOC-MRVPVSSYSA-N 283.612 2.890 0 1 CFAF O=C1CCC[C@H](c2nc3cc4nc(O)[nH]c4cc3[nH]2)CC1 586888074 WFLBPRAKQSKRMA-QMMMGPOBSA-N 284.319 2.762 0 1 CFAF COc1nccc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c12 587243786 IFJRPIYMALVMLP-FPLPWBNLSA-N 294.314 2.618 0 1 CFAF Oc1nc(O)c2ccc(Cc3ccc(Cl)cc3)nc2n1 587369110 VCQFVMRSDBHVHA-UHFFFAOYSA-N 287.706 2.680 0 1 CFAF CC(C)(O)c1ccc(-c2nc(=O)c3cccc(F)c3[nH]2)cc1 210801704 CDDNTCUZCTVFFB-UHFFFAOYSA-N 298.317 2.957 0 1 CFAF COC(C/C=C\[C@H](O)[C@@H](C)OCc1ccccc1)OC 12477966 VQFCTNUGJJZSHM-FHGUCWBTSA-N 280.364 2.518 0 3 CFAF COc1ccc2c(c1O)CCc1cc(O)cc(OC)c1-2 14650828 YSSFIGREEVEYNI-UHFFFAOYSA-N 272.300 2.881 0 1 CFAF COc1ccc2c(c1)[C@]13C[C@@H](OC)CC=C1CCN3CC2 14929090 ZJIQUKCYEXAGJX-WMZOPIPTSA-N 285.387 2.888 0 1 CFAF CC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@@H]1N2C 169301857 VFHWZFOARRJNNR-XUWVNRHRSA-N 261.340 2.981 0 1 CFAF NC1=NC[C@@H](C23C[C@H]4C[C@@H](CC(c5ccccc5)(C4)C2)C3)N1 169328302 YLHMKWBHRWCNHL-LDUJIBERSA-N 295.430 2.811 0 1 CFAF COc1nn2cc(-c3nc4ccccc4o3)nc2s1 205961439 NQEPWAFGKZPZIX-UHFFFAOYSA-N 272.289 2.608 0 1 CFAF O=C(O)Cc1ccc2c(c1)C(=O)Cc1ccccc1O2 26014105 XSWYVBRMXUURPB-UHFFFAOYSA-N 268.268 2.845 0 1 CFAF O[C@H](C[C@@H]1c2ccccc2-c2cncn21)C1CCOCC1 205774334 JXTJKNFGBORUEK-NVXWUHKLSA-N 284.359 2.631 0 1 CFAF CC(C)Cc1cc(C(=O)NC2CCCCC2)no1 2498084 JWNZTTWEDKNUMN-UHFFFAOYSA-N 250.342 2.936 0 1 CFAF O=C(c1ccc2ccccc2c1)N1C[C@@H]2CNC[C@@H](C2)C1 103243572 MQWMDUDYNBSGLH-OKILXGFUSA-N 280.371 2.521 0 1 CFAF CN1C(=O)[C@H]2O[C@H](c3ccccc3)[C@H]1[C@H]2c1ccccc1 100827042 QVGJMLNUOQHRAS-VQHPVUNQSA-N 279.339 2.751 0 1 CFAF endogenous,in-man COc1cc(-c2ccc(C(=O)O)cc2)cc(OC)c1O 64499475 CXBQXNSLQFJUEA-UHFFFAOYSA-N 274.272 2.775 0 1 CFAF CCCN1CCC[C@@](C(=O)OCC)(c2ccc(O)cc2)C1 26287396 BNITZKDLXKFAGW-KRWDZBQOSA-N 291.391 2.699 0 1 CFAF CO[C@@H]1O[C@@H](C)Cc2ccc3c(c21)O[C@@H](C(C)C)C3=O 2356448092 OOXIYCFKVAWYJC-AUYAEMIRSA-N 276.332 2.893 0 1 CFAF CCCCCC=CC=CC(=O)NCCc1cnc[nH]1 2356638000 OERDHVYMRBEQEA-UHFFFAOYSA-N 261.369 2.761 0 1 CFAF CC(C)NC(=O)N1OC[C@H]2CSc3ccc(F)cc3[C@@H]21 62225394 ANXPKWUHAVEULP-TVQRCGJNSA-N 296.367 2.954 0 1 CFAF Cc1cc(Cn2nc(-c3ccccc3C)cc2C(=O)O)on1 36387852 LRNIDPLMJZGMRJ-UHFFFAOYSA-N 297.314 2.901 0 3 CFAF CCCCc1ccc(Cn2cc(Cl)c(=O)[nH]c2=O)cc1 40943503 HUSSHKLMWPTQLV-UHFFFAOYSA-N 292.766 2.581 0 1 CFAF CC(C)N(C)c1ncnc2[nH]c3ccc(O)cc3c12 221378697 CMHMOCHQDPZCOO-UHFFFAOYSA-N 256.309 2.661 0 1 CFAF NC(=O)c1ccc(-c2cc(-c3cscn3)cnc2N)cc1 45385342 NNOZJMVHIOHDAU-UHFFFAOYSA-N 296.355 2.553 0 1 CFAF CC(C)c1cc2c(c(N3CCCCC3)n1)C(=O)OCC2 146371713 MPNQQHXWCUDDBE-UHFFFAOYSA-N 274.364 2.908 0 1 CFAF in-vivo Cc1ccc(C[C@H]2COc3ccccc3C2)c(N)n1 91964945 HXISAGFDLLLBES-LBPRGKRZSA-N 254.333 2.766 0 1 CFAF CCOc1cccc2cc(-c3ccno3)c(=O)oc12 1857618935 SUZRYBUXWOQEOZ-UHFFFAOYSA-N 257.245 2.847 0 1 CFAF CCO[C@H]1CO[C@]2(CCCN(Cc3nc(C)cs3)C2)C1 299843738 XGGKTDWCFPHHGL-UKRRQHHQSA-N 296.436 2.612 0 1 CFAF COc1cc2nc(-c3nnn(C)c3C(F)F)[nH]c2cc1C 587128442 MEURIPPOGSLCAD-UHFFFAOYSA-N 293.277 2.613 0 1 CFAF COc1cccc(CCc2nc3cccnc3[nH]2)c1 587931421 PHTNYKYVALYLHH-UHFFFAOYSA-N 253.305 2.752 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C[C@H]1CCCOC1)O2 587413990 UXMWBUBOPHFYDF-NEPJUHHUSA-N 275.348 2.728 0 1 CFAF COC(=O)c1ccc2nc(C[C@H]3CCC(=O)[C@@H]3C)[nH]c2c1 587963840 UJUPCEPYCSNGNQ-NXEZZACHSA-N 286.331 2.507 0 1 CFAF COc1ccc(CCCc2nc3cnncc3[nH]2)cc1OC 587926460 ZZOIGOUPCYAGIG-UHFFFAOYSA-N 298.346 2.545 0 1 CFAF Cc1ccc2c(c1)-c1nc3nc(O)nc(O)c3cc1CC2 587562205 RTWVHCZKQJQGAP-UHFFFAOYSA-N 279.299 2.510 0 1 CFAF COc1cc(C)ccc1OCc1nc2cc(N)c(N)cc2[nH]1 587564457 SAFPAWANKCCJGF-UHFFFAOYSA-N 298.346 2.623 0 1 CFAF Cc1ccoc1[C@@]1(C)NCCc2ccc(C(=O)N(C)C)cc21 962933332 UJUNHVFFBQMHGY-SFHVURJKSA-N 298.386 2.699 0 1 CFAF CCC[C@@]1(C)SC(NC2C3CCC2CC3)=NC1=O 14978754 COIJIICCCMYJIE-FOQMGDCRSA-N 266.410 2.953 0 1 CFAF c1cc2c(cc1CN[C@@H]1[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@H]([C@H]15)[C@@H]3[C@H]64)OCO2 169299921 VGYQUDBPYFLBLJ-MBEGYHBVSA-N 295.382 2.651 0 1 CFAF O=C1CS/C(=C/n2c(-c3ccco3)nc3ccccc32)N1 1857636694 UBGQFGIIMSAYSU-RIYZIHGNSA-N 297.339 2.915 0 1 CFAF CCC[C@@H](C(=O)c1ccc(C(=O)OC)cc1)N1CCCC1 13682095 RUCXEVOCSDADAL-HNNXBMFYSA-N 289.375 2.920 0 1 CFAF COc1ccc(CN2CCN=C2c2ccccc2)cc1 103196996 JCBKVSGXEFJPGI-UHFFFAOYSA-N 266.344 2.958 0 1 CFAF N=c1oc2cc(O)ccc2cc1C(=O)Nc1ccccc1O 26496562 KGALJENBQUNGJO-UHFFFAOYSA-N 296.282 2.576 0 1 CFAF CNC[C@@H]1NC[C@H](c2ccccc2)c2ccccc21 25965407 UYHHYORUPUOBTL-SJORKVTESA-N 252.361 2.682 0 1 CFAF O=c1[nH]c2ccccc2n1-c1nc2ccccc2s1 26656464 PXPQQIHZMQIZCQ-UHFFFAOYSA-N 267.313 2.929 0 1 CFAF Cc1nc2ncnn2c2c1CCCN2Cc1ccccc1F 28013537 XNEFTKGILKOUMJ-UHFFFAOYSA-N 297.337 2.525 0 1 CFAF CC(=O)O[C@@H]1C(=O)CCC2=C[C@H](O)C[C@@H](C)[C@@]2(C)C=C1C 2356564259 WWORHCJQQVZJAT-QQDQCYIDSA-N 292.375 2.561 0 1 CFAF CC1(C)C(=O)Nc2cc3[nH]c(-c4cccnc4)nc3cc21 28265315 KEQWRYOXXCUXDV-UHFFFAOYSA-N 278.315 2.855 0 1 CFAF CC(/C=C/C(=O)O)=C\[C@H](C)S(=O)(=O)c1ccc(F)cc1 66101677 LXBQJYOZXKVJCX-QUDQDJHISA-N 298.335 2.575 0 1 CFAF COc1ccc(OCc2cn(Cc3ccccc3)nn2)cc1 72178135 VTPOEWIVSRXANK-UHFFFAOYSA-N 295.342 2.914 0 1 CFAF CC(=O)C[C@@H]1C=C(c2ccc(Br)cc2)C(=O)O1 45370898 DAWNXSDCOMDLGI-LLVKDONJSA-N 295.132 2.737 0 1 CFAF CCOC(=O)[C@H](C)C(=O)c1nccc2ccccc12 84670072 VOAJPDKSDVEQBX-SNVBAGLBSA-N 257.289 2.617 0 1 CFAF Cc1cc2c(c(S)n1)C(=O)O/C2=C\c1ccc[nH]1 40423903 IHBDZZYNKNBGFE-POHAHGRESA-N 258.302 2.675 0 1 CFAF COC(=O)C1=CC[C@H]([C@]2(C)CC[C@H](C(C)(C)O)O2)CC1 85692741 MNYYSFOYZDIGLV-ZENOOKHLSA-N 282.380 2.595 0 1 CFAF biogenic,in-vitro O=C1C(c2ccccc2)=C(c2ccco2)C[C@@H]2C[C@@H](O)CN12 96915247 DXTTUOROAIKTLX-UONOGXRCSA-N 295.338 2.556 0 1 CFAF COc1cc(OC)c(OC)cc1/C=C/[C@@]1(C)C=CC(=O)O1 96921237 NAZCGLKZBSWDHW-YERXGYGTSA-N 290.315 2.597 0 1 CFAF CCC(=O)c1c(O)cccc1OCCN1CCCCC1 95561426 JTWICJNGBRQODR-UHFFFAOYSA-N 277.364 2.850 0 1 CFAF COc1cc2c(cc1-c1cccnc1)CCC(=O)N2 95554649 HFPLDSTVYTXMTH-UHFFFAOYSA-N 254.289 2.642 0 1 CFAF c1cnc2cc(N3CCN4CCC3CC4)ccc2c1 653703948 LWQKPYRCSFHXSB-UHFFFAOYSA-N 253.349 2.519 0 1 CFAF CC(=O)n1cc(-c2c(C)nn3c2OCC3)c2ccccc21 653836241 RVHAVBXZRUCGCC-UHFFFAOYSA-N 281.315 2.866 0 1 CFAF Cc1ccc(/C=C\c2nc3cc(=N)[nH]cc3[nH]2)cc1F 587146289 HOCSWKCRFQHPJY-PLNGDYQASA-N 268.295 2.988 0 1 CFAF C=C(NC(C)=O)c1nc2cc(F)cc(Br)c2[nH]1 587203360 MLMLHOCUBYZOQK-UHFFFAOYSA-N 298.115 2.571 0 1 CFAF O=C1c2ccccc2-c2cc(CO)nc3cccc1c23 587206749 MMQJOHHNCILNJH-UHFFFAOYSA-N 261.280 2.939 0 1 CFAF COc1cc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2cn1 587089688 GFQCHRLUBJFJHB-MRVPVSSYSA-N 283.612 2.890 0 1 CFAF COc1cnc(-c2nc3nc(Cl)c[nH]c-3n2)cc1Cl 587064151 BYCWWGOOJYZORI-UHFFFAOYSA-N 296.117 2.682 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccncc1F)O2 587387975 XWMWFOCMDCUNJA-CQSZACIVSA-N 272.279 2.818 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1c(C)n[nH]c1C)O2 587395692 FXEDKQONEBTHCL-QGZVFWFLSA-N 299.374 2.884 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(F)ccc1F)O2 587387498 SRCXUVSPDKSNKZ-LBPRGKRZSA-N 290.269 2.957 0 1 CFAF C[C@@H]1CCc2sc(-c3nc4c(O)nncc4[nH]3)cc2C1 587034440 VDKSRBYEQJUAQO-SSDOTTSWSA-N 286.360 2.912 0 1 CFAF COc1cccc(Cc2nc3cncc(C)c3[nH]2)c1 587931070 LHYYNPNWKKDERR-UHFFFAOYSA-N 253.305 2.866 0 1 CFAF COc1cc2c3c(c1)O[C@]1(CCC[C@H](C)C1=O)[C@@H](C2)C3=O 587447794 VMCJUZNSVPLXOP-YALKKGATSA-N 286.327 2.571 0 1 CFAF CC[C@H](C)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 587956548 SPTZPBVEZNXWJX-VIFPVBQESA-N 284.363 2.832 0 1 CFAF CCn1ccc([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963014889 AVZUFTSDIVQDSN-FZKQIMNGSA-N 295.386 2.651 0 1 CFAF Oc1cccc(-c2csc(-c3ncccn3)n2)c1 1857756269 HYPMITHXOFGAQH-UHFFFAOYSA-N 255.302 2.973 0 1 CFAF Cc1cc(-n2cccn2)ccc1-c1nc2c(C)[nH]n(C)c-2n1 19111278 TWEAIJYSTSWEBH-UHFFFAOYSA-N 292.346 2.718 0 1 CFAF COc1cc(N[C@@H](C)CCN)c2nccc(C)c2c1 169322712 DZHWWABMYGCQOA-NSHDSACASA-N 259.353 2.701 0 1 CFAF CCC(=O)[C@@H]1C(=O)CC(C)(C)[C@H](c2ccccc2)C1=O 169692021 BCOQVDDZFQCFDH-HUUCEWRRSA-N 272.344 2.934 0 1 CFAF Cc1cc2nnn(C(=O)c3ccccc3)c2cc1C 1730601 BIWLDPOPZDFCEM-UHFFFAOYSA-N 251.289 2.737 0 1 CFAF O=NC1=C2NN(c3ccccc3Cl)NC2=C(N=O)CC1 104007612 AVGPFWKICUBIJD-UHFFFAOYSA-N 291.698 2.919 0 3 CFAF C[C@H](NC(=O)O[C@@H]1[C@@H]2C=C[C@H](O)[C@H]1CC2)c1ccccc1 105501514 NYTSBEZBDJWGFP-HVQZGBDUSA-N 287.359 2.799 0 1 CFAF CC(C)CCN1C[C@H]2C[C@H]1C(=O)N(C)c1ccccc1O2 2356308402 QHWOZMCOTQFICZ-HIFRSBDPSA-N 288.391 2.531 0 1 CFAF CN(C[C@@H](O)c1ccccc1)C(=O)C=Cc1ccccc1 2356407619 GKTAUUQOAMJBMH-QGZVFWFLSA-N 281.355 2.892 0 1 CFAF Cc1c(C(C)C)c(=O)on1C(=O)N1[C@H](C)CC[C@H]1C 26937296 HILDJZYHTSGOHC-NXEZZACHSA-N 266.341 2.714 0 1 CFAF CC(C)=CCc1ccc(O)c2c1[C@H](C[C@H](O)[C@@H](C)O)OC2 2356475609 JUJNVXXKTUEQPG-RLCCDNCMSA-N 292.375 2.604 0 1 CFAF CC(=O)O[C@@H]1C[C@H](C)[C@@H]2C[C@H]3CC[C@@](C)(OC3)[C@H]21 2356563141 RIOVTHASCWPDPA-YKOQMJMCSA-N 252.354 2.779 0 1 CFAF CO[C@@]12C[C@@H](CO1)C(CO)=C1CC(C)(C)C[C@@H]1[C@@H]2C 2356599902 QFXZTMBMDJGLJW-OVZMXSCWSA-N 266.381 2.740 0 1 CFAF CC1=C[C@H](O)[C@@H]2[C@H](CC(C)=CCC1)OC(=O)[C@@H]2C 2356774532 AFDPKUTUPAAEAI-ZOBORPQBSA-N 250.338 2.602 0 1 CFAF COC(=O)c1cc2c(=O)n(C)c3ccccc3c2s1 136216202 VHINNAZYVICSDS-UHFFFAOYSA-N 273.313 2.540 0 1 CFAF O=C(Oc1cncc(Cl)c1)c1ccc2[nH]cnc2c1 40878623 WAXDTIRIKHSCOZ-UHFFFAOYSA-N 273.679 2.831 0 1 CFAF CCC(=O)Cc1cn(C(=O)OC)c2ccc(OC)cc12 95582837 OJAJMGIMPSHKEN-UHFFFAOYSA-N 275.304 2.786 0 1 CFAF C[C@@H](CC(=O)O)n1nc2ccc3ccccc3c2n1 653754836 ADTYDTWPIPZGAO-VIFPVBQESA-N 255.277 2.620 0 1 CFAF CC(C)(C)[C@H](N)c1nc2c(Br)ccnc2[nH]1 587258044 VVOOAPOPPBRRPI-MRVPVSSYSA-N 283.173 2.766 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)C[C@H](C)[C@H]1C 587404588 FZMTYWAAPILGOI-YNHOBRIKSA-N 273.332 2.526 0 1 CFAF CCOCCOCc1nc2cc(Cl)cc(F)c2[nH]1 587778855 RCZYULITWJJMQS-UHFFFAOYSA-N 272.707 2.909 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)-c1ccccc1SCC3 587564772 WPZALSWDKGOZEF-UHFFFAOYSA-N 297.339 2.751 0 1 CFAF CC(C)c1nn(C)c2c1[C@H](c1ccsc1O)NCC2 962921486 NVYIMGRESGSMTL-ZDUSSCGKSA-N 277.393 2.546 0 1 CFAF CCCN1N=C(c2ccc(OC)c(OC)c2)CCCC1=O 1772608502 BBZMRIIHXLVKTK-UHFFFAOYSA-N 290.363 2.830 0 1 CFAF C[C@H]1CCc2nn(CC(=O)N3CCc4ccccc43)cc2C1 5147858 QUUABXCXZOATJN-ZDUSSCGKSA-N 295.386 2.597 0 3 CFAF CC[C@]1(c2ccccc2F)OC[C@H]([C@@H]2CCCCN2)O1 13453474 GYDPSOOBHVQFJR-XHSDSOJGSA-N 279.355 2.946 0 1 CFAF Cc1ccc2c(c1)C(NCCN(C)C)=Nc1cccnc1N2 13492099 XRUGPPHJNKGQNE-UHFFFAOYSA-N 295.390 2.677 0 1 CFAF CCc1cc(C[C@@H]2CNC(=N)NC2=N)cc(CC)c1CC 13757889 SMHRXUOXEIKCBS-CQSZACIVSA-N 286.423 2.637 0 1 CFAF CCCSc1nsnc1O[C@@H]1C[C@H]2CCN(C2)C1 13777609 FYXUELNSLZXGFU-NXEZZACHSA-N 285.438 2.513 0 1 CFAF CN1CCN(c2ccc3c(n2)-c2ccccc2CC3)CC1 13778652 BGYLGYXSGZOBGV-UHFFFAOYSA-N 279.387 2.599 0 1 CFAF CCn1c(=O)ccc2cnc(Nc3cccc(OC)c3)nc21 13835408 XYOKPXNKJBWRKL-UHFFFAOYSA-N 296.330 2.564 0 1 CFAF COc1cc2c3c(c1O)-c1ccccc1C[C@@H]3NCC2 15046570 DUSFBAYEYGRYOT-ZDUSSCGKSA-N 267.328 2.811 0 1 CFAF O=C1C=C(Cl)[C@@](O)(c2ccccc2)N1C1CCCC1 206747533 HCSGUYFFJYRNQY-HNNXBMFYSA-N 277.751 2.739 0 1 CFAF Cc1noc(C)c1-c1nccc(NCc2cccnc2)n1 4258579 TUXBZYWRMPRTKD-UHFFFAOYSA-N 281.319 2.756 0 1 CFAF CCOC(=O)c1c(-c2ccccc2)c(OC)cn1C 1638644 SBATTZGWYOMCBW-UHFFFAOYSA-N 259.305 2.877 0 1 CFAF N[C@H](CCc1nc(-c2ccc(Cl)cc2)cs1)C(=O)O 6512789 NSQBRJKZQPANCA-SNVBAGLBSA-N 296.779 2.808 0 1 CFAF CN1C(=O)CC[C@@H]2[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 29413783 SQCYNKYOQAZHHL-CRJFESBUSA-N 291.435 2.821 0 1 CFAF CSc1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 102736028 XWWBGDGACMLOGM-TXFQPVFDSA-N 287.384 2.944 0 1 CFAF O[C@H](COc1cccc2ccccc12)[C@@H]1CCCCN1 26248524 HDRKGMUPXWTLAN-JKSUJKDBSA-N 271.360 2.722 0 1 CFAF CC[C@@H](C)c1cc(C=O)cc2cc(C(=O)OC)c(=O)oc12 64560831 LNMLSCCHMAGBAI-SECBINFHSA-N 288.299 2.906 0 1 CFAF CN(C)C[C@@H]1C[C@@H]2c3cccnc3Cc3ccccc3N2O1 27104304 VPZDYZMLWKUTOB-KBXCAEBGSA-N 295.386 2.799 0 1 CFAF c1coc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1 114773081 CVZJXEMLVIGEFY-UHFFFAOYSA-N 285.303 2.776 0 1 CFAF CCOC(=O)c1ccc(Sc2ccccc2)c(=O)o1 26663674 QAZYGANMNJMAAL-UHFFFAOYSA-N 276.313 2.968 0 1 CFAF Cc1ccc(C(=O)OCn2oc(=O)c3ccccc32)cc1 28226489 KCKDCRMDNOTHMH-UHFFFAOYSA-N 283.283 2.717 0 1 CFAF C[C@H]1C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)cc1 4865 GRHSSRUEUOYZIV-ZKANADHPSA-N 286.283 2.756 0 1 CFAF biogenic O=C(Nc1ccc(Cl)cc1)Nc1ncnc2[nH]ncc12 39369471 JAMXDZXYVNTUDX-UHFFFAOYSA-N 288.698 2.650 0 1 CFAF CCC1=CC(=C(Br)Br)OC1=O 38295357 VFEVKODQFQPXOH-UHFFFAOYSA-N 281.931 2.839 0 1 CFAF Fc1ccc(-n2cccn2)c([C@H]2Cc3nccn3C2)c1 40379348 JODPZPWJZRBJSA-NSHDSACASA-N 268.295 2.548 0 1 CFAF c1ccc(CCCN2CCN(c3cccnc3)CC2)cc1 49112002 SENQJQAENBTXOV-UHFFFAOYSA-N 281.403 2.836 0 1 CFAF N[C@H](C(=O)NCc1ccccc1)c1cc2ccccc2o1 84710926 FIJMAWRDHMXRPT-INIZCTEOSA-N 280.327 2.749 0 1 CFAF CN(CCC(=O)c1cccnc1)Cc1ccccc1 45357613 QLGGJIWVUCLFEJ-UHFFFAOYSA-N 254.333 2.786 0 1 CFAF O=C1NC[C@@H](C2CCC2)c2[nH]c(-c3ccncc3)cc21 40835552 DYYSXMWYKAMOKK-ZDUSSCGKSA-N 267.332 2.704 0 1 CFAF c1ccc([C@@H]2Cc3nccn3C2)c(-c2cncnc2)c1 40394709 OUQNCXBFEAQBPY-GFCCVEGCSA-N 262.316 2.680 0 1 CFAF Cc1cc(C(=O)C(C)C)c2c(c1O)O[C@@H](O)C[C@H]2C 149633388 QMWWLXMERZETFM-LDYMZIIASA-N 264.321 2.744 0 1 CFAF COC(=O)C[C@H]1[C@H](Cc2ccccc2)C[C@H]2CC[C@H]1N2C 253643290 ANHMPRQCQIOCSZ-WCXIOVBPSA-N 287.403 2.891 0 1 CFAF Cc1cc2cc(N(C)C(=O)c3cccnc3N)ccc2[nH]1 618009814 KMIQLGRBUXDPAS-UHFFFAOYSA-N 280.331 2.730 0 1 CFAF Cc1cc(F)c2[nH]c(CS(=O)(=O)C3CCCC3)nc2c1 586924285 OJJZPYAWGQQIOD-UHFFFAOYSA-N 296.367 2.868 0 1 CFAF C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(F)cc2[nH]1 587093482 FIYHAPHEVMNWRY-LURJTMIESA-N 289.232 2.832 0 1 CFAF CNc1ncccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587387701 SBZQLSVUCBRPIB-CQSZACIVSA-N 283.331 2.720 0 1 CFAF Cc1ccc(C)c2[nH]c(Cc3ccc(=N)[nH]c3)nc12 587254566 NJKJYJWQNWEVSO-UHFFFAOYSA-N 252.321 2.578 0 1 CFAF Cc1ccc2ccccc2c1-c1nc2c[nH]c(=N)[nH]c-2n1 586883026 FLGXWCGDXXFWJY-UHFFFAOYSA-N 275.315 2.846 0 1 CFAF CCc1cc(NCc2nc3c(O)cccc3o2)c(=O)[nH]c1C 5887355 FGTZYHIGSDDIAK-UHFFFAOYSA-N 299.330 2.705 0 1 CFAF CCc1noc(C)c1CN1CC[C@@](O)(c2ccccc2)C1 19223293 FYYXETBSVOPECC-KRWDZBQOSA-N 286.375 2.639 0 1 CFAF CCn1nc(-c2cncs2)c2ccccc2c1=O 13600601 AQNJZMRBHPZQKJ-UHFFFAOYSA-N 257.318 2.540 0 1 CFAF CC[C@H](C)NC(=O)c1coc2nc3ccccc3nc12 263904 DMODSWDHBAHYSQ-VIFPVBQESA-N 269.304 2.904 0 1 CFAF Cc1c(-c2ccccc2)c(=O)on1C(=O)N1CCCCC1 26941986 LORGRNMIKLJAPQ-UHFFFAOYSA-N 286.331 2.871 0 1 CFAF COC(=O)[C@H]1[C@H](/C=C/c2ccccc2)C[C@H]2CC[C@H]1N2C 101113014 MGDFZOLBVULOAN-CTOAQQQNSA-N 285.387 2.972 0 1 CFAF C[C@@H]1C(=O)Nc2cc3nc(-c4ccncc4)[nH]c3cc21 28755153 WNJXXQIXODDELT-QMMMGPOBSA-N 264.288 2.681 0 1 CFAF Nc1ccccc1C1=C(O)C2=C(CCC2)N2CCN=C12 26270068 WXRDVBXOAVAQIY-UHFFFAOYSA-N 267.332 2.704 0 1 CFAF CO[C@H]1[C@H]2CCN(CC3CC3)[C@@H]1Cc1ccc(O)cc12 29401107 IUFBNRYLSSEFPR-UAGQMJEPSA-N 273.376 2.531 0 1 CFAF C[C@H]1CCc2nc3c(c(N)c2C1=O)c1c(n3C)CCCC1 26577933 YAKOXDMRAFTDJC-VIFPVBQESA-N 283.375 2.799 0 1 CFAF CCCOC(=O)[C@H]1Cc2c(sc3ccccc23)CN1 26838342 XCMXDOUVSOWXRC-GFCCVEGCSA-N 275.373 2.869 0 1 CFAF C[C@H]1CCC[C@H](C)N1C(=O)[C@@]1(c2ccccc2)C[C@@H]1CN 26964338 LLMMBFHXEMHNDE-KJGCVMFHSA-N 286.419 2.693 0 1 CFAF COc1ccc2cc([C@H](C)N)cc(CCNC(C)=O)c2c1 73275325 YQZRZXHBYINXBI-NSHDSACASA-N 286.375 2.547 0 1 CFAF CSc1ccccc1CN(C(=O)C(C)C)[C@H]1CCNC1 40917337 NFXSKGKGQACNCS-AWEZNQCLSA-N 292.448 2.755 0 1 CFAF CCOC[C@H]1C=C(c2ccc(Br)cc2)C(=O)O1 45392933 JUWFWFCPVIFRHL-LLVKDONJSA-N 297.148 2.794 0 1 CFAF Cc1cc(O)c2c(c1)COc1cccc(O)c1C2=O 238786579 MTYXTAOMEHBPNM-UHFFFAOYSA-N 256.257 2.530 0 1 CFAF Cc1nc2nc(O)nc(O)c2cc1[C@H]1C[C@H]2CC[C@H]1C2 587561488 QQOXCHKIDPMAHF-QXEWZRGKSA-N 271.320 2.648 0 1 CFAF CCn1nc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C 587429840 BDDSTDQJLIQVMB-SJKOYZFVSA-N 298.342 2.709 0 1 CFAF CC(C)[C@@H]1CCc2nc3nc(O)nc(O)c3cc2[C@H]1C 587562194 RKKSUGOZROVGLF-IUCAKERBSA-N 273.336 2.758 0 1 CFAF Nc1c(F)cc(-c2nc3cc(F)cnc3[nH]2)cc1F 587134257 CZASXNBWMUJRAE-UHFFFAOYSA-N 264.210 2.624 0 1 CFAF Cc1cccc(OCc2nc3cccc(C(N)=O)c3[nH]2)c1C 587563401 CXVXFISJZHZCNV-UHFFFAOYSA-N 295.342 2.858 0 1 CFAF CCOC(=O)C1(c2cc3c4c(cccc4n2)CC3)CC1 587212196 PURCVPQKGXWJQR-UHFFFAOYSA-N 267.328 2.928 0 1 CFAF Cc1nccc2[nH]c(/C=C/C(=O)Nc3ccccc3)nc12 587243799 IKCVEVMBNBSMCM-BQYQJAHWSA-N 278.315 2.918 0 1 CFAF Cc1cc2c(cc1F)[C@@](c1cccs1)([C@H](C)O)NCC2 962297563 JWCPLJSFIAGVNY-MEDUHNTESA-N 291.391 2.966 0 1 CFAF O=C(O)c1cccc2c1CCN[C@@H]2CCC1CCOCC1 963156298 ZKONJLKILFEBSJ-MRXNPFEDSA-N 289.375 2.778 0 1 CFAF COc1cc(C)cc2cc3c(c(O)c12)C(=O)CC[C@@H]3O 13311724 MJYOMLOZJVCNBR-NSHDSACASA-N 272.300 2.872 0 1 CFAF COc1cc(O)c2c(C)cc(OC)c3c2c1COC3=O 13408773 GXJKCJXYULSVHS-UHFFFAOYSA-N 274.272 2.541 0 1 CFAF COc1ccc2c(c1)C[C@@H]1NCCc3cc(OC)c(O)c-2c31 14775296 HWVONPVVTWVSRH-AWEZNQCLSA-N 297.354 2.819 0 1 CFAF CC(=O)[C@@H](C)CCCCc1cc(O)c(C)c(=O)o1 103291454 GOCJYVVHNMQAMK-VIFPVBQESA-N 252.310 2.592 0 1 CFAF COc1cc(O)cc(O)c1C(=O)CC(=O)c1ccccc1 102943584 UNEJIRZYTHVVEM-UHFFFAOYSA-N 286.283 2.562 0 1 CFAF CCc1nnc2c(N)nc3cc(Cl)c(Cl)cc3n12 26378162 XEMRIYMFVYYGGD-UHFFFAOYSA-N 282.134 2.729 0 1 CFAF O=C(c1ccccc1)c1ccc2n1CCC[C@@H]2C(=O)O 25997531 KHPFLDXJWMCCNR-LBPRGKRZSA-N 269.300 2.681 0 1 CFAF COc1ccc([C@H](c2ccccc2O)N2CCOCC2)cc1 140675723 ZWHCONDKBXKLGZ-GOSISDBHSA-N 299.370 2.822 0 1 CFAF C[C@@H]1CCC2=C(C(=O)O)CC[C@H](C(C)(C)O)C[C@@H]21 238767993 GNHYOXJPHJUUIT-GBIKHYSHSA-N 252.354 2.985 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1ncccc1F)[C@@H](C2)C3=O 587428255 YJBYXKKHTTYTII-GTNSWQLSSA-N 299.301 2.892 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cncnc1C)O2 587394865 KTCDHPCHXIVLPV-MRXNPFEDSA-N 283.331 2.556 0 1 CFAF Nc1cc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2cc1N 587090443 QPMURVPQDSQBFY-MRVPVSSYSA-N 282.628 2.651 0 1 CFAF Cc1cncc2[nH]c(C3=Cc4cccc(O)c4OC3)nc12 586906897 AZLFUIPHPKDRKK-UHFFFAOYSA-N 279.299 2.905 0 1 CFAF Cc1ccc2nc(-c3cnc(N(C)C)nc3C)[nH]c2c1 587195411 UJZXDOFRYHIYER-UHFFFAOYSA-N 267.336 2.703 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1N)[C@@H](C2)C3=O 587433666 SWDQVSGKDGISSG-UGSOOPFHSA-N 295.338 2.940 0 1 CFAF Cc1nc(=N)[nH]cc1-c1cc2c3c(cccc3n1)CC2 587211077 LAVGNPCVSYKJGT-UHFFFAOYSA-N 262.316 2.511 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccc(N(C)C)o1)[C@@H](C2)C3=O 587426864 BQRKJFGDBRAVNU-GTNSWQLSSA-N 299.326 2.843 0 1 CFAF Oc1nc(O)c2ccc(-c3cc4ccccc4cn3)nc2n1 587554211 GLVALOBDJNNHDK-UHFFFAOYSA-N 290.282 2.651 0 1 CFAF CC1=NN2C(=O)[C@H](C)Oc3ccc(Cl)cc3[C@@H]2C1 1857635246 LJKDANBTXNEGAI-KWQFWETISA-N 264.712 2.770 0 1 CFAF O=[S@](Cc1ccc(Cl)cn1)c1nc2cscc2[nH]1 13448673 JUHQEZPEMCIDAZ-SFHVURJKSA-N 297.792 2.981 0 1 CFAF Cc1ccc2c(=O)[nH]nc3c4c([nH]c1c32)CCCC4 150094364 NZZXITVESFGTFK-UHFFFAOYSA-N 253.305 2.592 0 1 CFAF CCN(CC)CCOC[C@@H]1CCCN2CCCC[C@@H]12 169290570 NVHIJVKEEILZGK-HOTGVXAUSA-N 268.445 2.609 0 1 CFAF CC(C)(C)N=c1cc(-c2ccncn2)[nH]c2cnccc12 1857540345 GMBDJMAWOMXCHX-UHFFFAOYSA-N 279.347 2.719 0 1 CFAF Oc1ccc2c(c1)O[C@H](CNCCc1ccccc1)CC2 12356039 CPHLCRCURDQKDY-KRWDZBQOSA-N 283.371 2.918 0 1 CFAF CNC[C@H]1NC[C@H](c2ccccc2)c2ccccc21 25965412 UYHHYORUPUOBTL-IAGOWNOFSA-N 252.361 2.682 0 1 CFAF O=C1C=C(C(F)(F)F)[C@@H]2C=C(NC3CCCC3)C=C[C@H]2N1 102225812 FTTRLUXCDGCNQV-WCQYABFASA-N 298.308 2.576 0 1 CFAF CC1=C[C@H](O)[C@@H]2[C@@H](C=C(C)CCC1)OC(=O)[C@@H]2C 2356444004 GVPJXSQYSBKZEM-XJFOESAGSA-N 250.338 2.602 0 1 CFAF Cc1cc(C)nc(N(CCN(C(C)C)C(C)C)C(N)=O)c1 27625279 FWFXZBIFXUIDHK-UHFFFAOYSA-N 292.427 2.702 0 1 CFAF C[C@H]1OC(=O)c2c(O)cc(O)cc2CCCCCC[C@H]1O 2356589985 ZTMGIUWYKJLEDJ-ZWNOBZJWSA-N 294.347 2.511 0 1 CFAF c1ccc(C[C@@H](C2=NNCCN2)c2ccccc2)cc1 72283673 QQZDRBLYFGVUER-MRXNPFEDSA-N 265.360 2.519 0 1 CFAF CCc1nc(N)nc(N)c1-c1ccc2c(c1)CCCC2 45302405 ZNKZKSGYLVVONE-UHFFFAOYSA-N 268.364 2.749 0 1 CFAF CS(=O)(=O)Nc1ccc(-c2cccnc2)c2cccnc12 473169278 MXGMAPZAIMHGSJ-UHFFFAOYSA-N 299.355 2.668 0 1 CFAF COC(=O)c1cc(Cl)c2[nH]c([C@@](C)(O)C(C)C)nc2c1 586893499 ZPZKNKDKDMFYRO-AWEZNQCLSA-N 296.754 2.866 0 1 CFAF COc1cccc2nc(CSC(C)(C)C(=O)O)[nH]c12 586958182 ACSCEUMUDNYACL-UHFFFAOYSA-N 280.349 2.668 0 1 CFAF CCCn1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 587390278 GEIZKVHJHWYIRT-OAHLLOKOSA-N 285.347 2.890 0 1 CFAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cncnc2[nH]1 587196041 PHBAADIVQARCRY-SNVBAGLBSA-N 267.336 2.571 0 1 CFAF Oc1ncnc2[nH]c(-c3cc(Cl)nc4ccccc34)nc12 587085663 ZVKHOSCOCWZOJU-UHFFFAOYSA-N 297.705 2.927 0 1 CFAF N=c1ccc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)c[nH]1 587253368 JRYMQUBSFAODAB-UHFFFAOYSA-N 294.145 2.663 0 1 CFAF Nc1ccnc2nc(-c3ccc(Br)o3)[nH]c12 587007195 WPGYMOHURLPWPQ-UHFFFAOYSA-N 279.097 2.563 0 1 CFAF CC(C)(Cl)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587007019 AOVFJCOPBUFFBO-UHFFFAOYSA-N 256.664 2.874 0 1 CFAF CCCc1c(O)ccc2c1O[C@]1(CCCOC1)CC2=O 587492661 RQNJJMMQEORHPF-MRXNPFEDSA-N 276.332 2.859 0 1 CFAF C[C@H](Sc1ncccn1)c1nc2cnc(Cl)[nH]c-2n1 586963008 WGGNYEYWTZQELB-LURJTMIESA-N 292.755 2.601 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(=O)O)o1)O2 587404129 NQXDDOVVXPXTQL-ZDUSSCGKSA-N 287.271 2.575 0 1 CFAF COc1ccc2c(c1)[C@H](c1cnc(C)n1C)N[C@H]1CC[C@@H]21 962998933 XCTODPUSCJZVEB-JLJPHGGASA-N 283.375 2.676 0 1 CFAF CC1(C)CC=CCC[C@@H](O)[C@H](O)CCC(C)(C)C1=O 254136816 BEWPNOHISJLCQR-CHWSQXEVSA-N 268.397 2.850 0 1 CFAF C[C@H]1CN(C)C[C@@H]2Cc3c(ccc4ccccc34)O[C@@]12O 11616847 RQYOELZDSAMKIU-YEWDVWPNSA-N 283.371 2.661 0 1 CFAF in-man Cc1cc(Cl)cc2nc(N3CCCN(C)CC3)oc12 13675089 HUKVXBOLNLWFQV-UHFFFAOYSA-N 279.771 2.932 0 1 CFAF CC(=O)NC[C@H]1CCCc2c1c1ccccc1n2C 13777761 FXGOVZAZDXYZHV-GFCCVEGCSA-N 256.349 2.734 0 1 CFAF COc1cc(/C=C\c2ccc3c(c2)OCO3)oc(=O)c1 14591352 GLWFCJOUIQRVSV-RQOWECAXSA-N 272.256 2.548 0 1 CFAF Oc1ccc(-c2nnnn2-c2nc3ccccc3s2)cc1 1857614537 HKDSOWNIARNUSJ-UHFFFAOYSA-N 295.327 2.645 0 1 CFAF Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Cl)cc1 5161668 GTMSVJVBRIPWOZ-UHFFFAOYSA-N 289.718 2.780 0 1 CFAF C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3C(=O)NCCC)cc1 100092821 CMLPOWSFOHMGQQ-VLVPDDBLSA-N 299.418 2.579 0 1 CFAF COc1ccc(C(=O)CN2C=CC=CC2=CN=O)cc1 1857622342 LBUOCBPLYTYWEN-UHFFFAOYSA-N 270.288 2.871 0 1 CFAF C[C@]1(CO)CCC[C@]2(C)c3ccc(O)cc3[C@@H](CO)[C@H]12 2356504999 MTNURUQAWCRCEW-MWQQHZPXSA-N 276.376 2.538 0 1 CFAF CN1[C@H]2CCC[C@@H]1CC(N1C(=O)Cc3ccccc31)C2 64446664 GIDZCNCCCWFCIN-YIONKMFJSA-N 270.376 2.591 0 1 CFAF C[C@H](O)CCCC=Cc1cc2cc(O)cc(O)c2c(=O)o1 2356598228 JKXJOEQOMGTCDI-JTQLQIEISA-N 290.315 2.769 0 1 CFAF CC[C@]12C=CCN3CC[C@]4(c5ccccc5N[C@H]4C(=O)C1)[C@H]32 2356618485 VWEIHRBYFKZAQD-ZSYWTGECSA-N 294.398 2.732 0 1 CFAF O=C(c1ccc2ncccc2c1)n1nnc2ccccc21 1911575350 XSNYGRDCHDWWED-UHFFFAOYSA-N 274.283 2.668 0 1 CFAF N[C@@H](C(=O)NCc1ccccc1)c1ccc2ccccc2n1 84652097 UHWZUCHXQOLOII-QGZVFWFLSA-N 291.354 2.551 0 1 CFAF COc1ccc(-c2cc3c(N)cccc3c(=O)[nH]2)cc1 96282482 MMTKUKSRLAPBPM-UHFFFAOYSA-N 266.300 2.786 0 1 CFAF in-vitro CO[C@@]12C=C[C@@H](CC1)[C@@H]1C(=O)c3c(C)c(C)n(C)c3C(=O)[C@H]12 254224072 NDTURTFDFKXIBS-CQEJWKIFSA-N 299.370 2.618 0 1 CFAF C[C@H]1c2ccccc2-c2nc3nc(O)nc(O)c3cc21 587562278 UROVMGFYUPVGQK-ZETCQYMHSA-N 265.272 2.568 0 1 CFAF C=Cn1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 587433407 XMBNGXNBEAWZFB-PXAZEXFGSA-N 296.326 2.789 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CC[C@@H]1CCOC1)O2 587413086 PQKAEAPSKXQZPV-VXGBXAGGSA-N 275.348 2.728 0 1 CFAF Cc1ccnc2c1CCNC21CCC(C2CCNCC2)CC1 963066247 FZXCLDZEJIMBBR-UHFFFAOYSA-N 299.462 2.921 0 1 CFAF CN(C)C[C@@H](c1ccccc1O)C1(O)CCCCC1 5958017 RLHCJXZDGMECCF-AWEZNQCLSA-N 263.381 2.733 0 1 CFAF OC[C@@H](O)CNc1cc(-c2ccccc2)nc2ccccc12 13818360 RWFHLHWXCFHHCB-AWEZNQCLSA-N 294.354 2.667 0 1 CFAF Cc1[nH]n(C)c(=O)c1C(=N)c1ccc(Cl)c(Cl)c1 169328949 APRYLVAAACPDFQ-UHFFFAOYSA-N 284.146 2.745 0 1 CFAF C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1 114346831 IDOIWFPLBQQGRQ-NSHDSACASA-N 292.342 2.902 0 1 CFAF C[C@@H]1[C@H](c2ccccc2)OBN1Cc1ccccc1 2356316508 SKHWVMVDOZXHIN-CZUORRHYSA-N 251.138 2.915 0 1 CFAF CN1C[C@H](c2ccc(O)cc2)Cc2ccc(O)cc21 28865914 LUFRGFLTIGIXEQ-CYBMUJFWSA-N 255.317 2.874 0 1 CFAF COc1ccc(-c2cn(-c3ccc4c(c3)OCO4)nn2)cc1 28568425 XBWIUAVAYMRMCZ-UHFFFAOYSA-N 295.298 2.672 0 1 CFAF C[C@H]1[C@@H]2C(=O)c3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 27903568 NVNLCWUDSURWQS-LSKLOWJMSA-N 284.403 2.843 0 1 CFAF COc1ccc([C@@H](O)CSc2ccccc2O)cc1O 2356522047 VGDQDROQBCKLFF-ZDUSSCGKSA-N 292.356 2.932 0 1 CFAF COc1ccc(C(=O)OCc2nc(C)c(C)nc2C)cc1 26264670 KLCQIMALJQQTSD-UHFFFAOYSA-N 286.331 2.767 0 1 CFAF OCCNc1cc2cc(-c3cccnc3)ccc2cn1 63298376 ODNOTLMFNVWFTJ-UHFFFAOYSA-N 265.316 2.701 0 1 CFAF Cc1cc(=O)[nH]nc1-c1c(C(C)C)nn2ccccc12 71410718 AOLWAANADGGNET-UHFFFAOYSA-N 268.320 2.516 0 1 CFAF C[C@@H](CO)[C@H]1CC[C@@H](C)[C@H]2CCC(C(=O)O)=C[C@H]12 85839726 YIHMBRXHQJWKMY-ZJMQZLNVSA-N 252.354 2.698 0 1 CFAF Cn1ccnc1NC[C@H]1CCC[C@H]2CN(CC3CC3)C[C@@H]12 299842585 UCLBPFVFOBGKKS-PMPSAXMXSA-N 288.439 2.590 0 1 CFAF COc1cc2nc(-c3cnc([C@@H](C)O)s3)[nH]c2cc1F 587022759 XACGCOYUPFXPIO-ZCFIWIBFSA-N 293.323 2.887 0 1 CFAF COc1ccc(OC)n1-c1c(N)cccc1Br 587937692 VZTFMAPILLCIOV-UHFFFAOYSA-N 297.152 2.839 0 1 CFAF CC(=O)C(C(C)=O)c1cc2c3c(cccc3n1)CC2 587214200 NNOYQHLCFONWGK-UHFFFAOYSA-N 253.301 2.595 0 1 CFAF CN(C)C(=S)SC(=S)N1CCCCCC1 1857630502 LKMCZZJWSVAMSN-UHFFFAOYSA-N 262.469 2.727 0 1 CFAF Cc1nonc1[C@H]1NCCc2c(Cl)cc(Cl)cc21 963101830 FILANOMMQOVDLX-LBPRGKRZSA-N 284.146 2.920 0 1 CFAF CC(C)c1nc([C@H]2NCCc3nc4ccccn4c32)co1 962980223 CCQHJYWULJMTIG-CQSZACIVSA-N 282.347 2.681 0 1 CFAF O=c1oc2cc(O)cc(O)c2cc1-c1cccs1 1772628755 RIXWDHZLRJJQMR-UHFFFAOYSA-N 260.270 2.933 0 1 CFAF Cc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2=O)c1 13153814 HQFQBZPCZUXJHZ-GMIGKAJZSA-N 267.328 2.697 0 1 CFAF O=C(NCCCc1ccccc1)Nc1nnc(S)s1 13796918 PBVQVXZZIHDYRZ-UHFFFAOYSA-N 294.405 2.581 0 1 CFAF NC(=O)c1cccc(/C=C/C(=O)OCc2ccccc2)c1 29404313 JYTRPJPCPNQBEY-MDZDMXLPSA-N 281.311 2.542 0 1 CFAF CN1N=C(c2ccncc2)O[C@H]1c1ccccc1F 6002736 XMEPQIBLZBGBTL-AWEZNQCLSA-N 257.268 2.543 0 1 CFAF C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 101423675 RWIZCLOKALYHLB-CHUNWDLHSA-N 281.355 2.945 0 1 CFAF COC(=O)CC=C(C)C1=C(C)CC[C@H]2[C@@H]1OC(=O)[C@@H]2C 2356474623 YVXVQMWUXKMTIT-JMSVASOKSA-N 278.348 2.784 0 1 CFAF CC(C)n1nc(-c2ccc3cn[nH]c3c2)c2c(N)ncnc21 64479825 ULPBTMCLMXCXEB-UHFFFAOYSA-N 293.334 2.533 0 1 CFAF CN1CCC[C@@]1(C)C(=O)Nc1ccc(-n2cccc2)cc1 61906499 HRAVLQPMEKXBFG-KRWDZBQOSA-N 283.375 2.900 0 3 CFAF CCCCC[C@@H](C[C@H](O)C[C@H]1CC=CC(=O)O1)OC 71333089 JJFJQEIHTAJVJL-MELADBBJSA-N 270.369 2.595 0 1 CFAF O=C(N[C@@H]1C[C@H]1c1c[nH]cn1)OCC1CCCCC1 33995009 SLQAVEDMASVHTL-VXGBXAGGSA-N 263.341 2.572 0 1 CFAF in-vitro CC[C@H]1Cc2cc(OCC(=O)O)c(Cl)cc2C1=O 60231885 LTEHYMYKSJXUJF-ZETCQYMHSA-N 268.696 2.568 0 1 CFAF Cc1c(O)cc(O)c2c1O[C@H](c1ccccc1O)CC2=O 72109156 SEHDRAXGPBPQKE-AWEZNQCLSA-N 286.283 2.818 0 1 CFAF in-vitro CCCc1nc(C)c2c(OC)nc3ccc(OC)nc3n12 49035838 RKIXQWROGWRKPS-UHFFFAOYSA-N 286.335 2.556 0 1 CFAF Cc1nccc2c3ccc(O)cc3n(CCCCN)c12 84634419 XFJGBZMERWQDBJ-UHFFFAOYSA-N 269.348 2.942 0 1 CFAF O=C(NC1CCCCC1)Oc1cccc(C2=NCCO2)c1 45287856 FMWYTVROQHKGLH-UHFFFAOYSA-N 288.347 2.885 0 1 CFAF Cc1ccc2c(c1)[C@@]1(C(=O)N2)N(C)CC[C@]12CCCCC2=O 84540944 ZROPSJKVIJAQKU-ROUUACIJSA-N 298.386 2.607 0 1 CFAF CCCC[C@@]12CCN(C)C[C@@H]1Oc1ccc(O)cc12 96927511 BPAMAOVHWMTJIJ-HOTGVXAUSA-N 261.365 2.917 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(O)cccc1O)O2 587405695 YIBYJROWSNOFGQ-AWEZNQCLSA-N 285.299 2.695 0 1 CFAF O[C@@H]1C[C@@H](c2nc3nc(Cl)c[nH]c-3n2)c2ccccc21 586902817 MMEGISGIAPCBJI-NXEZZACHSA-N 286.722 2.527 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccccc1O)[C@@H](C2)C3=O 587450538 MLWDQENEURIEPP-SJCJKPOMSA-N 282.295 2.890 0 1 CFAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(N)c(N)cc3[nH]2)cc1 586889618 MHQWBGSJRZQUMW-QLJPJBMISA-N 296.374 2.873 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cncc1F)O2 587388005 YVSNJUQQIZLOEV-ZDUSSCGKSA-N 290.269 2.957 0 1 CFAF CNC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862777 ISXJRDSEUUIORD-UHFFFAOYSA-N 299.252 2.765 0 1 CFAF CC(=O)c1c(C(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 587650560 ZFAOZPOSGJYFEL-UHFFFAOYSA-N 287.287 2.712 0 1 CFAF Nc1ccc(F)c(Cc2nc3cc4cn[nH]c4cc3[nH]2)c1 587142305 STNZVBMXKKNHNF-UHFFFAOYSA-N 281.294 2.751 0 1 CFAF COc1ccc(-c2cc3ccc(C)cc3oc2=O)nn1 1857763016 PVXBIZPBCKHTBZ-UHFFFAOYSA-N 268.272 2.567 0 1 CFAF COC1=CC(=O)O[C@@H](/C=C\c2ccc(OC)c(OC)c2)C1 13340551 FISBBPCLKKQWQA-RNZFLTOJSA-N 290.315 2.563 0 1 CFAF endogenous,in-man CCCCCOc1ccc(Cc2cnc(N)nc2N)cc1 13532846 VDPIFYWUFLUUKO-UHFFFAOYSA-N 286.379 2.801 0 1 CFAF Cc1c(C)c2c(c(C)c1N)C[C@](C)(CSCCO)O2 13652092 ZBBGGQUUWKRTHG-OAHLLOKOSA-N 281.421 2.613 0 1 CFAF N=C(N)NCCN1c2ccccc2C=Cc2ccccc21 13799641 JEEPEWZQEZVNNS-UHFFFAOYSA-N 278.359 2.792 0 1 CFAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccccc1 169358905 XTYJQBUILMRWGE-OWVCJZDISA-N 283.371 2.726 0 1 CFAF C[C@]12CC[C@]3(CO)CO[C@@H](c4ccccc4O1)[C@@H]2C3 169364052 JPABUXDNLBKOTH-HNKHHVNMSA-N 260.333 2.688 0 1 CFAF O=C(NCCC1=CCCCC1)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)O 169694000 MFNHOXMUXZEVAG-LXTVHRRPSA-N 289.375 2.516 0 1 CFAF Cc1nc(Cl)c2c(n1)N=C1CCCC(O)=C1O2 478594 MYTOLHZHWGXCTG-UHFFFAOYSA-N 251.673 2.857 0 1 CFAF CCOC(=O)/C(C(=N)NCC(C)C)=C(/O)c1ccccc1 103351347 QRTRUAJSQYSNAN-BUHFOSPRSA-N 290.363 2.742 0 1 CFAF c1ccc(CCN[C@H]2[C@H]3[C@H]4C[C@@H]5[C@H]6[C@H](C[C@H]53)[C@@H]2[C@@H]64)cc1 101699909 KBAKPEFQDPCCTP-RRMOXSROSA-N 265.400 2.965 0 1 CFAF Nc1cccc(CNCCCCNCc2cccc(N)c2)c1 28260052 INRSGUZEJILLDD-UHFFFAOYSA-N 298.434 2.511 0 1 CFAF COC(=O)c1[nH]c(C(C)=O)c2nc3ccccc3c-2c1C 100805583 FUCVOZGZDMUPFJ-UHFFFAOYSA-N 282.299 2.965 0 1 CFAF O=C(O)Cc1c(C(=O)O)[nH]c2c(Cl)cc(Cl)cc12 58626902 UDTYSEWCICAFSB-UHFFFAOYSA-N 288.086 2.800 0 1 CFAF in-vitro COc1ccc(NC(=O)C(C)(C)c2ncccc2N)cc1 27209272 GLVRETGIHRKJJB-UHFFFAOYSA-N 285.347 2.589 0 1 CFAF COc1ccc(CC(=O)c2cc(O)c(C)cc2O)cc1 64540033 AKHRXFGTQACOJC-UHFFFAOYSA-N 272.300 2.840 0 1 CFAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]3CCC(=O)C[C@@H]3C(=O)C[C@@H]12 2356518112 GFLLGBXXPFKQAI-DUQPLKFASA-N 292.375 2.842 0 1 CFAF CCOc1c(OC)c(OC)cc2oc(C)cc(=O)c12 66076353 SXPXQTZGUWLXMM-UHFFFAOYSA-N 264.277 2.517 0 1 CFAF COc1ccc(-c2nc(Cn3cnc(C)c3)co2)cc1 72181288 NQILFHHVVYYESV-UHFFFAOYSA-N 269.304 2.903 0 1 CFAF Nc1ncc(-c2ccc(C3CCC3)c(O)c2F)cn1 212150454 GCPUVKLSPPMOSH-UHFFFAOYSA-N 259.284 2.838 0 1 CFAF COC(=O)c1ccc2occ(CCNC(=O)C(C)C)c2c1 40955252 BPPMGOAAWPUWHO-UHFFFAOYSA-N 289.331 2.534 0 1 CFAF C[Si](C)(C)C[C@@](O)(Cn1cncn1)c1ccccc1 195952844 XOHQNFNJPZGPHV-AWEZNQCLSA-N 275.428 2.504 0 1 CFAF CC[C@H](C)c1nc2nc(N3CCC[C@@H]3C)ccc2[nH]c1=O 82231313 YGTGZWSSTUALBO-QWRGUYRKSA-N 286.379 2.820 0 1 CFAF Oc1nc2cc(-c3ccco3)nn2c2ccccc12 43059668 JMZXBIGROAXVNB-UHFFFAOYSA-N 251.245 2.848 0 1 CFAF c1ccc(CNc2ncnc3c2ncn3[C@H]2CCCO2)cc1 40915731 GQJJUHLVVFRHEB-CYBMUJFWSA-N 295.346 2.747 0 1 CFAF Cc1cc(Nc2ccccc2)nc(N2CCCN(C)CC2)n1 45351401 MBMJYNHRXGDHMJ-UHFFFAOYSA-N 297.406 2.671 0 1 CFAF Cn1c2c(c(=O)n1-c1ccccn1)[C@H]1CC[C@]2(C)C1(C)C 141569094 QYTUGODFCXAKLV-DIFFPNOSSA-N 283.375 2.746 0 1 CFAF COc1ccc([C@H](C)N2CCCC2)cc1OC(=O)N(C)C 299830526 NVHWJHNKHLLQFX-LBPRGKRZSA-N 292.379 2.912 0 1 CFAF CN1CCN(c2ccc3nc(C=C4CCC4)[nH]c3c2)CC1 587965223 QAVIWKPGJCYCSN-UHFFFAOYSA-N 282.391 2.882 0 1 CFAF CC(C)(Cl)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587008960 SREXVNUVSKHABK-UHFFFAOYSA-N 256.664 2.874 0 1 CFAF Clc1ncc2nc(CCOCc3ccccc3)nc-2[nH]1 587565526 CXRKHFIJYLNNOA-UHFFFAOYSA-N 288.738 2.717 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccnn1C(C)C)[C@@H](C2)C3=O 587430832 HKHVRVHESBVWAS-SJCJKPOMSA-N 298.342 2.961 0 1 CFAF COc1cc2nc(CSC(C)(C)C(=O)O)[nH]c2cc1F 586959746 PWIWNLXHCRNVLN-UHFFFAOYSA-N 298.339 2.807 0 1 CFAF COc1ccc([C@H]2NCCc3ccc(F)c(C)c32)cc1N 962093898 RWNUWIVPBQPMTR-QGZVFWFLSA-N 286.350 2.960 0 1 CFAF CCn1ccc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963014891 AVZUFTSDIVQDSN-UGSOOPFHSA-N 295.386 2.651 0 1 CFAF CCC1(CC)C(=O)NC(=O)N=C1Nc1ccccc1 5486554 MVCORKZDRDCYQB-UHFFFAOYSA-N 259.309 2.553 0 3 CFAF biogenic O=C1CC[C@@H]2C[C@H](C(=O)c3ccccc3)CC[C@H]2CN1 5809758 ADHLYWFPKZJMJV-KFWWJZLASA-N 271.360 2.812 0 1 CFAF Cc1cc(O)c2c(O)c3c(cc2c1)[C@H](O)CCC3=O 13311714 DCUUYLNMLNFTDN-SNVBAGLBSA-N 258.273 2.569 0 1 CFAF CCCCCNC1=NCCN1OCc1cccc(OC)c1 13539083 FYAGDNOSFLUFGH-UHFFFAOYSA-N 291.395 2.578 0 1 CFAF NC1=N[C@H](c2ccc(F)cc2)Cc2c(F)cccc21 13911323 KEASVJPWDYZLCE-AWEZNQCLSA-N 258.271 2.968 0 1 CFAF O=C1C[C@H](c2ccc(O)cc2)Oc2c(O)ccc(O)c21 14806934 SMRHIFAZRRVAQZ-CYBMUJFWSA-N 272.256 2.510 0 1 CFAF endogenous,in-man CCCc1c(O)ccc2c1O[C@H](CCCCO)CC2=O 164724510 QJUDJEBJWCGYDV-LLVKDONJSA-N 278.348 2.841 0 1 CFAF c1ccc2c(c1)Oc1ccccc1C2C1=NCCN1 13805952 OOZRSNQXSFEXBA-UHFFFAOYSA-N 250.301 2.926 0 1 CFAF CCOC(=S)SCC(=O)Nc1nc(C)c(C)s1 6083612 KLXPSPAVOPNDDU-UHFFFAOYSA-N 290.435 2.753 0 3 CFAF CC1(C)C(=O)[C@@H]2c3ccccc3[C@@H]1[n+]1ccccc12 100714673 FOIKFBKEQLCUEJ-CABCVRRESA-N 250.321 2.618 0 1 CFAF CCOc1nc(SC)nc(C(Cl)(Cl)Cl)n1 103187307 QNQDPCGNJSRHJD-UHFFFAOYSA-N 288.587 2.819 0 1 CFAF Fc1ccc(-c2nc(C3CC3)nc3c2CNCC3)cc1 29126502 UOSAXXBVFWTNNV-UHFFFAOYSA-N 269.323 2.806 0 1 CFAF CN1CCC[C@@](C)(C(=O)Nc2ccc3scnc3c2)C1 61907081 HYJMPAYKTWHMDM-OAHLLOKOSA-N 289.404 2.967 0 3 CFAF CNC(=O)N(C)[C@@H]1c2cccnc2Oc2c(F)cccc21 28015953 PVGCBOBJTUNDKA-LBPRGKRZSA-N 287.294 2.687 0 1 CFAF C[C@@H]1CC[C@]2(OCC=C2C(=O)O)[C@@H]2[C@H](C)CC[C@H]12 2356861887 UUUOAZAVWQGTNN-FPVNZWGXSA-N 250.338 2.859 0 1 CFAF CC(C)=C1OC(=O)N(c2cc(O)c(Cl)cc2F)C1=O 34347306 SFYRUKSKTPDKPR-UHFFFAOYSA-N 285.658 2.962 0 1 CFAF COc1ccc(C(=O)Oc2cncc(Cl)c2)cc1OC 40845731 KWOCLVVYSXFVCQ-UHFFFAOYSA-N 293.706 2.971 0 1 CFAF Nc1cccc(-c2cncc([C@@H]3C[C@H]4CC[C@H]3N4)c2)c1 261183762 WTYKEOIVVOXLGZ-IXDOHACOSA-N 265.360 2.939 0 1 CFAF in-vitro Cc1cnc2nc(C)c(C(=O)OCc3ccccc3)n2c1 299838832 ODZZCMLEYOOSQK-UHFFFAOYSA-N 281.315 2.703 0 1 CFAF O=C1OCC[C@@]1(Cl)c1cc2c3c(cccc3n1)CC2 587209225 KKVMRHDGDBDYAU-OAHLLOKOSA-N 273.719 2.714 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1ccccn1)O2 587393502 IBCHLZRCNCDGCF-ZDUSSCGKSA-N 282.343 2.939 0 1 CFAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C)C[C@H]1C 587477413 RAFXVKZAMPIDMA-PIGZYNQJSA-N 289.375 2.630 0 1 CFAF CC(=O)c1ccc2nc(C[C@H]3CCC(=O)[C@@H]3C)[nH]c2c1 587961973 HMXCCZQUIHPYMP-MWLCHTKSSA-N 270.332 2.923 0 1 CFAF Cc1ccc(/C=C\c2nc3ncc[nH]c-3n2)cc1F 587146500 NYJOTXKYHQZWHY-PLNGDYQASA-N 254.268 2.922 0 1 CFAF CC(C)(CO)[C@@H](O)c1nc2cc3ccccc3cc2[nH]1 586902016 VVBDZPBQTIVGDD-AWEZNQCLSA-N 270.332 2.768 0 1 CFAF N=c1[nH]cc2nc(C=C3C4CC5CC(C4)CC3C5)nc-2[nH]1 587965585 CAKHONIOZBKMGH-UHFFFAOYSA-N 281.363 2.557 0 1 CFAF O=C(C1CCOCC1)n1nc2cc1Oc1ccc(F)cc1-2 587875082 MYFFQFVFINDRFY-UHFFFAOYSA-N 288.278 2.862 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cnccc31)O2 587396127 WZKDGBWCOSVRKT-KRWDZBQOSA-N 280.327 2.779 0 1 CFAF CCc1cc2c(O)nc(O)nc2nc1-c1cccs1 587564039 NIKYUEFNMZOOOI-UHFFFAOYSA-N 273.317 2.727 0 1 CFAF COc1cc2c3c(c1)OC1(C[C@H](C)O[C@@H](C)C1)[C@@H](C2)C3=O 587456192 SLIUSFXXKULCII-KWBADKCTSA-N 288.343 2.769 0 1 CFAF CC(C)[C@@]1(CO)CC(=O)c2ccc3c(c2O1)CCCC3 587528971 HEYGJCANRALVGJ-KRWDZBQOSA-N 274.360 2.918 0 1 CFAF c1ccc2c(c1)CC[C@]21C[C@@H]1c1nc2cncnc2[nH]1 586885388 BHVNQZSUZRVDSN-WBMJQRKESA-N 262.316 2.724 0 1 CFAF CN(C)c1ncccc1-c1nc2c(Cl)cncc2[nH]1 587195213 DUPORWHMUIVHCU-UHFFFAOYSA-N 273.727 2.739 0 1 CFAF Cc1ccnc(N2[C@H]3CC[C@@H]2CC(O)(c2ccccc2)C3)n1 13150657 VJQMHZNBFRZRLV-BYICEURKSA-N 295.386 2.804 0 1 CFAF NC(=O)N(O)Cc1ccc(Oc2ccccc2)s1 13762927 IUEBIZIPTWVQMY-UHFFFAOYSA-N 264.306 2.810 0 1 CFAF COC(=O)[C@H]1C[C@H]2CC[C@H]([C@H]1Cc1ccccc1)N2C 169335603 GSJWAIREYVJCBA-FXUDXRNXSA-N 273.376 2.501 0 1 CFAF CCOC(=O)c1c[nH]c2ncnc(-c3cccc(F)c3)c12 206726670 ZODOBCONXXFIFU-UHFFFAOYSA-N 285.278 2.941 0 1 CFAF CCn1cc(-c2cc3c(-c4ccccn4)n[nH]c3cn2)cn1 205242425 HMOYECZOCBTZJC-UHFFFAOYSA-N 290.330 2.903 0 1 CFAF COc1ccc2c(c1)S(=O)(=O)c1ccccc1O2 13779761 JRVMEXROBIHYGZ-UHFFFAOYSA-N 262.286 2.634 0 1 CFAF Nc1nc(N)c2cc(NCc3ccc(F)cc3)ccc2n1 1579058 LLPJTTAFJBKQEQ-UHFFFAOYSA-N 283.310 2.545 0 1 CFAF Nc1nc(NCc2cccs2)nn1-c1ccccc1 2489310 HNLHULRRJAWBDY-UHFFFAOYSA-N 271.349 2.523 0 3 CFAF O=S1(=O)N=C(Oc2ccccc2Cl)c2ccccc21 2868603 SIWIFLNXTPCYRH-UHFFFAOYSA-N 293.731 2.868 0 1 CFAF COc1ccccc1-c1oc2ccc(N)cc2c(=O)c1O 58568602 JMLPZINOCNGTLA-UHFFFAOYSA-N 283.283 2.756 0 1 CFAF CN1CCN(c2cccc3c2N=C2SC=C[C@@H]2N=C3)CC1 27998268 KLUYOUKBERCACP-ZDUSSCGKSA-N 298.415 2.530 0 1 CFAF C[C@@H]1CCC(=O)[C@H]2Cc3occ(C(=O)O)c3C[C@@]21C 2356727594 QACYOCDXHAPSDZ-BGFNQPPGSA-N 262.305 2.698 0 1 CFAF CC1=C[C@H](O)[C@@H]2[C@H](CC(C)=CCC1)OC(=O)[C@H]2C 2356774530 AFDPKUTUPAAEAI-XDQVBPFNSA-N 250.338 2.602 0 1 CFAF Cn1c2c(Cl)c(Cl)ccc2c2cn[nH]c(=O)c21 82155202 IUAHMAQQSYLACE-UHFFFAOYSA-N 268.103 2.722 0 1 CFAF CC(C)[C@@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)N(C)C 587199116 VKNVWPSJCIYOKD-STQMWFEESA-N 275.356 2.545 0 1 CFAF C[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602948 LRKDEKBIHCKSHE-ZANVPECISA-N 256.257 2.742 0 1 CFAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H](N)C1)CC2=O 587472980 PKKVFOGTPAWEOW-DIFFPNOSSA-N 289.375 2.950 0 1 CFAF N=c1[nH]ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587080699 ONTXIDLCVKOVPE-NSHDSACASA-N 286.722 2.700 0 1 CFAF c1cc2c3c(c4c(nc3c1)CCC1(COC1)C4)CC2 587215530 JCFIMLUIQPZJET-UHFFFAOYSA-N 251.329 2.839 0 1 CFAF C=C(NC(C)=O)c1nc2cc(Br)c(F)cc2[nH]1 587203331 LERNDAJSTLTETG-UHFFFAOYSA-N 298.115 2.571 0 1 CFAF CN[C@@H](c1cccnc1)c1nc2ccc(C)c(C)c2[nH]1 587225934 ZKCLTMMHNPHWFS-HNNXBMFYSA-N 266.348 2.884 0 1 CFAF COc1ccnc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587394660 YCIILXSEMCNFET-KRWDZBQOSA-N 298.342 2.861 0 1 CFAF Nc1ccnc2nc(-c3ccc(Cl)c(Cl)n3)[nH]c12 587084967 VSDXZLBHXORKCU-UHFFFAOYSA-N 280.118 2.909 0 1 CFAF NS(=O)(=O)c1ccc(-c2cnc3ccccc3c2)cc1 584905023 HGZKFXIUXSUJHM-UHFFFAOYSA-N 284.340 2.549 0 1 CFAF in-vitro O=C(O)/C=C/C=C/c1nc2ncc(C(F)(F)F)cc2[nH]1 587966409 CKDOEEWEMUBHAX-ZPUQHVIOSA-N 283.209 2.631 0 1 CFAF O=C1CCc2cc3[nH]c(-c4ccc(CO)cc4)nc3cc2N1 586895467 IMNTZTHIFBDMAD-UHFFFAOYSA-N 293.326 2.607 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)n[nH]c1C)O2 587395437 DBJOXDPAPVAFTJ-CYBMUJFWSA-N 271.320 2.624 0 1 CFAF COc1cccc(S(=O)(=O)/C=C/c2cccnc2)c1 1857565445 FIUSRGZLXLBTQF-VQHVLOKHSA-N 275.329 2.535 0 1 CFAF CNc1ccc([S@@](=O)Nc2ccc(OC)cc2)cc1 5536749 RBZRYEPFMZXTEW-IBGZPJMESA-N 276.361 2.872 0 1 CFAF O=c1c2cocc2c(O)c2n1Cc1cc3ccccc3nc1-2 13207874 AALJZGWWXAJTBA-UHFFFAOYSA-N 290.278 2.877 0 1 CFAF COc1ccc2c3c(c(=O)n(C)c2c1)C=CC(C)(C)O3 15216870 DSLHMZQEYVAVLU-UHFFFAOYSA-N 271.316 2.731 0 1 CFAF O=C1C[N@@]2O[C@]2(c2ccccc2)c2cc(Cl)ccc2N1 1857585510 UXZCEAOLZZBKGQ-CRAIPNDOSA-N 286.718 2.740 0 1 CFAF Cc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2C)o1 211752 LSOYDMRQIYOIDM-KBPBESRZSA-N 285.299 2.583 0 3 CFAF COC(=O)[C@]1(Cc2ccccc2)Cc2ccccc2[C@@H]1O 1646176 OAABOBLLGUGNRU-FUHWJXTLSA-N 282.339 2.678 0 1 CFAF C[C@@H]1C=C[C@@H]2C[C@H](CO)CC[C@H]2[C@@H]1CCC(=O)O 2356334493 IEYGSRROAFACDI-DHGKCCLASA-N 252.354 2.698 0 1 CFAF Nc1nc(-c2ccc(Cl)c(Cl)c2)c(Cl)c(=O)[nH]1 3653774 DUROGXBNYAPCKQ-UHFFFAOYSA-N 290.537 2.979 0 1 CFAF O=C(CCc1ccc(Br)cc1)Cn1ccnc1 28647975 WBZMNNQPCVLKOL-UHFFFAOYSA-N 293.164 2.848 0 1 CFAF CN1CC[C@H]2[C@@H](NC(=O)c3ccc(F)cc3)CCC[C@H]2C1 26186853 ZXUXBBXHJDRZIY-IMJJTQAJSA-N 290.382 2.676 0 1 CFAF C[C@@H]1CC[C@@H]2C[C@H](C(=O)O)[C@@H]3C[C@@](C)(C(=O)O)C[C@]312 2356722164 ZKEYYASKEXLLCC-WVRBLIRLSA-N 266.337 2.624 0 1 CFAF CO[C@]1(C)CC[C@H](C(C)C)C2=C1CC[C@@](C)(O)[C@H]2O 2356759414 NWFRPVFXEBPUSC-MSQAHXEGSA-N 268.397 2.660 0 1 CFAF COc1cc([C@@H]2O[C@]3(C)O[C@@]4(C)C[C@H]3[C@@H]2CO4)ccc1O 2356802958 WPHOQMWSFQDPPY-RLYLYKIYSA-N 292.331 2.587 0 1 CFAF CCOC1=C2C=CO[C]2Nc2c1ccc(OC)c2OC 2356862690 MLFHMULTEQSPRO-UHFFFAOYSA-N 274.296 2.910 0 1 CFAF CC(C)C(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc(F)cc1 61903414 DMZWXXKPMRDMMU-INIZCTEOSA-N 292.354 2.801 0 3 CFAF Cc1nn(-c2ccccc2)c2c(N)c3c(nc12)CCC3 38294847 WWBPCPFCRPQVPL-UHFFFAOYSA-N 264.332 2.800 0 1 CFAF COc1ccc2c(c1)C(=O)C1(Cc3ccccc3C1)O2 87613261 DXZKRSOLMVQTMF-UHFFFAOYSA-N 266.296 2.808 0 1 CFAF CCC[C@@H]1CC(=O)c2sc(N3CCOCC3)nc2C1 40394917 AOSUHMQSUDRPGF-JTQLQIEISA-N 280.393 2.525 0 1 CFAF Oc1ccc2c(c1)C[C@@H]1c3cc4c(cc3CCN1C2)OCO4 96930033 BJEUYJVVERSDAG-MRXNPFEDSA-N 295.338 2.776 0 1 CFAF NCC[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 473170865 SFESLLNASKFHRG-QGZVFWFLSA-N 283.371 2.694 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccncc1OC)[C@@H](C2)C3=O 587436585 RRLMOQBHDSZUDX-SJCJKPOMSA-N 297.310 2.588 0 1 CFAF c1cc2c3c(c(CCC4OCCO4)cnc3c1)CC2 587215782 NEDNPTUXAGMUHD-UHFFFAOYSA-N 255.317 2.639 0 1 CFAF COc1nccc2nc(-c3ccc(Cl)nc3F)[nH]c12 587178203 VCMWGGLFRHRLFG-UHFFFAOYSA-N 278.674 2.821 0 1 CFAF COc1cc(OC)c2[nH]c([C@H](N)c3ccsc3)nc2c1 587026275 WLHXPRADAYQQGR-GFCCVEGCSA-N 289.360 2.690 0 1 CFAF COc1cc2c3c(c1)O[C@@H](C1(C(F)F)CC1)[C@@H](C2)C3=O 587421845 MCWQFAHLFDQZJX-TVQRCGJNSA-N 280.270 2.857 0 1 CFAF CC[C@@]1(C)C[C@@H]1c1nc2nc(Br)c[nH]c-2n1 586890358 OQSZOMYTVPCNNI-KBUNVGBDSA-N 281.157 2.971 0 1 CFAF C[C@H](N=[S@]1(=O)NC(=O)c2ccccc21)c1ccccc1 1772586129 MVSWAKVNYQYIOC-YBTHPKLGSA-N 286.356 2.933 0 1 CFAF COCc1nc2ccccc2c(=O)n1-c1ccccc1C 5783192 QDRBPXRQVCYGCU-UHFFFAOYSA-N 280.327 2.841 0 1 CFAF O=C1O[C@@H](O)C(Cc2ccccc2)=C1c1ccccc1 13376462 MFURXTOJWOOSEM-MRXNPFEDSA-N 266.296 2.558 0 1 CFAF in-vitro COc1cc(-c2ccc3c(c2)OCCO3)cc(C=O)c1O 169699574 IAMQTYLPLYKKGL-UHFFFAOYSA-N 286.283 2.652 0 1 CFAF CCC=CC[C@H](C[C@@H]1CC=CC(=O)O1)OC(C)=O 2356477201 YKAIEQJKNLRONE-OLZOCXBDSA-N 252.310 2.536 0 1 CFAF Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1C[C@H]2CC[C@@H]1C2 3896944 RFRGJYWVOFZOFJ-YNEHKIRRSA-N 297.395 2.849 0 1 CFAF CC[C@@H](C)NC(=O)c1nn(C)c2c1COc1ccccc1-2 6817450 UXVRTIJGMGVCDL-SNVBAGLBSA-N 285.347 2.508 0 1 CFAF CC(C)(C)NC1=NCCNC(c2ccc(F)cc2)=C1 101069912 LJGKTXZEJHDRQR-UHFFFAOYSA-N 261.344 2.556 0 1 CFAF CCOC(=O)c1c[nH]c(/C=C2/C(=O)Nc3ccccc32)c1C 26819733 FRFBYLIZAQERFO-XYOKQWHBSA-N 296.326 2.993 0 1 CFAF C1=C(c2ccc(-n3ccnc3)cc2)c2nccn2CC1 28763841 KQDSZYNOXJIEEH-UHFFFAOYSA-N 262.316 2.904 0 1 CFAF CCCN(CCCCNC(C)=O)C1Cc2ccccc2C1 71287389 AOMZLKZZYNTVAW-UHFFFAOYSA-N 288.435 2.782 0 1 CFAF CN1C[C@H]2CN(c3ccc(-c4ccccc4)nc3)C[C@H]2C1 40975113 UJLKEVKJFLTZAG-IYBDPMFKSA-N 279.387 2.746 0 1 CFAF O=c1sn(C2CCCC2)c(=O)n1C1CCCCC1 1911584808 QMBPPCUPQFQLEH-UHFFFAOYSA-N 268.382 2.692 0 1 CFAF Cc1csc2ncn(-c3ccc(F)cc3)c(=O)c12 84690152 IUEBSZCFSIWITE-UHFFFAOYSA-N 260.293 2.895 0 1 CFAF CCSC(=S)OCC(=O)c1ccc(OC)cc1 40835097 HFBIOVNHSNLJEE-UHFFFAOYSA-N 270.375 2.933 0 1 CFAF CC[C@@H]1[C@H]2CCCCN3CC[C@H]([C@@H]4[C@H](C)C(=O)O[C@H]14)[C@@H]23 238757266 ROIHYOJMCBKEER-VLUPQUSQSA-N 277.408 2.695 0 1 CFAF CCC[C@H](C)Nc1nc(N2C[C@H](C)O[C@@H](C)C2)ncc1C 299880216 LXXSBFNXCICVHQ-IHRRRGAJSA-N 292.427 2.999 0 1 CFAF CC(C)(C)c1ccc2[nH]c(/C=C/C=C\C(=O)O)nc2n1 587968338 MVNRZJYNKVKJLY-GUBXDBFYSA-N 271.320 2.909 0 1 CFAF NC(=O)Nc1cccc(-c2nc3ccc(F)cc3[nH]2)c1 587242040 LWTGSXDVHDZJNP-UHFFFAOYSA-N 270.267 2.860 0 1 CFAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc[nH]c(=N)c3[nH]2)cc1 586892403 SDERUUMOSGXCGR-QMTHXVAHSA-N 282.347 2.516 0 1 CFAF C[C@H]1CCO[C@H](c2nc3cc4c(cc3[nH]2)OCCO4)C1 586917203 NUXKKFKUZDHVMT-XPTSAGLGSA-N 274.320 2.822 0 1 CFAF CC1(C)CC[C@@]12c1ccsc1CCN2C(N)=O 962701329 AOSMTGKWPPVWIQ-CYBMUJFWSA-N 250.367 2.700 0 1 CFAF CN1C(=O)CC[C@@H]1[C@H]1c2c(F)cccc2C[C@H]2CCCN21 963102511 KNPQACZJAMDFFV-MRRJBJDNSA-N 288.366 2.508 0 1 CFAF Cc1cccc(C)c1NC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2 5508922 GGXJJEQPCDDEBZ-DGAVXFQQSA-N 285.343 2.765 0 1 CFAF CC[C@@H](N)Cc1cc(OC)c(Br)cc1OC 13585278 QQPRORAZQWLMTQ-SECBINFHSA-N 288.185 2.746 0 1 CFAF COc1cc2c(cc1C(=O)COC(C)=O)C=CC(C)(C)O2 14454938 OIZWLOXWMAUGPW-UHFFFAOYSA-N 290.315 2.625 0 1 CFAF C/C=C(\C)C(=O)N[C@H]1CCCN1C(=O)/C=C/c1ccccc1 14617011 JESGIROWPOPQQV-CCCCXFIZSA-N 298.386 2.731 0 1 CFAF C1=Nc2ccccc2/C1=C/NNC1=NCCCCC1 15953100 CBSFCNFXDUHOJY-VAWYXSNFSA-N 254.337 2.810 0 3 CFAF COc1ccc(-n2cnc3c(C)cccc3c2=O)cc1 1857597107 WRONMXQXCPABEN-UHFFFAOYSA-N 266.300 2.703 0 1 CFAF C[C@@H](O)c1cccc2c1S(=O)(=O)c1ccccc1O2 16262 ZETFADRORWAXBD-SECBINFHSA-N 276.313 2.678 0 1 CFAF NC(=O)c1cccnc1Sc1nc2ccccc2s1 984187 GXDXSVPDGRWFRJ-UHFFFAOYSA-N 287.369 2.941 0 1 CFAF c1ccc(C2OCC(O[C@H]3CCCCO3)CO2)cc1 1651434 LKAOBASWHBEPCP-SLTAFYQDSA-N 264.321 2.644 0 1 CFAF Nc1nc(N)c2c(OCC3CCCCC3)cccc2n1 28971489 XZNMJEONQKENIG-UHFFFAOYSA-N 272.352 2.753 0 1 CFAF CCCCCCOc1ccc2c(c1)C(=O)NCCO2 103278597 IPKOGDZPMCPUFW-UHFFFAOYSA-N 263.337 2.768 0 1 CFAF Cc1nc2c(OCCc3ccccc3)cccn2c1N 26173586 CJMWIHBBDICVGE-UHFFFAOYSA-N 267.332 2.846 0 1 CFAF CC(C)NC(=O)[C@]1(C)CCN1Cc1cccc(Cl)c1 61903946 QABKQONEKZRENU-HNNXBMFYSA-N 280.799 2.829 0 3 CFAF C/C=C1/C[C@H]2C=Nc3cc(OC)c(OC)cc3C(=O)N2C1 29489380 BIGQAORAVWEUOY-FGUAACIASA-N 286.331 2.581 0 1 CFAF CN1c2ccccc2N=C(N2CCNCC2)c2cscc21 39241381 VGKUFIZJBKVBLV-UHFFFAOYSA-N 298.415 2.813 0 1 CFAF CCCCN(CCCN)c1ccc(Br)cn1 36382088 XWWVTFYZTFKHRL-UHFFFAOYSA-N 286.217 2.799 0 1 CFAF CN1C=CN(COCC2CCCCC2)/C1=C\N=O 136851822 TZWZRRWSJYZVDA-LCYFTJDESA-N 251.330 2.825 0 1 CFAF Nc1ccc(-c2cccnc2)cc1NC(=O)C1CCOCC1 142929356 HYAZKPMDQHTRMV-UHFFFAOYSA-N 297.358 2.696 0 1 CFAF O=C1CCCc2nc(Nc3cccc(F)c3)ncc21 96282206 LVYJLMJHJOEADD-UHFFFAOYSA-N 257.268 2.878 0 1 CFAF O[C@H]1C[C@@]23CCCN4CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]43 238731581 ZEEUPFDTVPGHSL-NTZUZEMLSA-N 296.414 2.502 0 1 CFAF O=C1C=CC[C@H](C[C@H](F)CCc2ccc(O)cc2)O1 96271771 BKRSPZUJZJIEKE-TZMCWYRMSA-N 264.296 2.925 0 1 CFAF C=C1c2ccccc2C(=O)N(C)c2ccc(N)cc21 95556504 GLKYAQGIJQCRPH-UHFFFAOYSA-N 250.301 2.920 0 1 CFAF C[C@H](O)C[C@H](C)CNCc1cccc(OC(C)(C)C)n1 261103805 HANZWZYWTAIZOE-STQMWFEESA-N 280.412 2.756 0 1 CFAF N[C@H](N=O)c1ccc2nc(CCc3cccc(O)c3)[nH]c2c1 586896836 ZGVLHCCMRXHVNX-MRXNPFEDSA-N 296.330 2.777 0 1 CFAF NC(=O)Nc1cccc(-c2nc3cncc(Cl)c3[nH]2)c1 587242117 MYKNITVLPTZRIU-UHFFFAOYSA-N 287.710 2.769 0 1 CFAF Nc1cc(-c2nc3c(Cl)ccnc3[nH]2)ccc1F 587139336 GXSBNQYVOVOCMX-UHFFFAOYSA-N 262.675 3.000 0 1 CFAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(F)(F)F 587650579 ZVOOOHCVZGZFJG-UHFFFAOYSA-N 277.267 2.899 0 1 CFAF Cc1ncsc1-c1c[nH]cc1-c1nc2cncnc2[nH]1 587028803 XZYNNIHSEKTUBQ-UHFFFAOYSA-N 282.332 2.780 0 1 CFAF CN[C@H](c1cccnc1)c1nc2cnc3ccccc3c2[nH]1 587227183 WFMUUUQLQKJZLI-OAHLLOKOSA-N 289.342 2.815 0 1 CFAF CCn1cc(-c2cc(C(=O)OC)[nH]n2)c2ccccc21 205876828 INKHICBXNDRPAY-UHFFFAOYSA-N 269.304 2.838 0 1 CFAF Cc1ccc(-c2cc(N)nn2-c2cc(C(=O)O)ccn2)cc1 146566356 RARDAFAMJQBDBC-UHFFFAOYSA-N 294.314 2.523 0 1 CFAF O=C(O)C[C@@H]1CC(=O)c2c(O)ccc(Cl)c2S1 13736546 WOOABARSQBAJGM-YFKPBYRVSA-N 272.709 2.567 0 1 CFAF CCOc1nc2sc3c(c2c(=O)o1)CCCC3 13779490 BPYYNTNEBZGWKO-UHFFFAOYSA-N 251.307 2.527 0 1 CFAF N=C(CC(=O)c1ccc(Cl)c(Cl)c1)C(=O)O 13803792 UOIUJSHCEFVNQG-UHFFFAOYSA-N 260.076 2.671 0 1 CFAF CC(=O)O[C@@H]1[C@@H](C)CN(C)[C@@H]2Cc3c[nH]c4cccc(c34)[C@H]12 15219706 GJSSYQDXZLZOLR-ZGZIKQBOSA-N 298.386 2.689 0 1 CFAF endogenous,in-man CN(C)c1cnn(Cc2cccc(Cl)c2Cl)c(=O)c1 19839824 OIKYKCIYPUKXGK-UHFFFAOYSA-N 298.173 2.664 0 1 CFAF COc1cccc([C@H]2NCC[C@@]3(O)CCCC[C@H]23)c1OC 4012415 ALDVPIHLUBBLNN-UNEWFSDZSA-N 291.391 2.660 0 1 CFAF COc1c(C)c(O)cc2c1C=C[C@@](O)(c1ccccc1)O2 59585912 JIJDSBDOKOMHDZ-KRWDZBQOSA-N 284.311 2.960 0 1 CFAF biogenic,in-vitro CC[C@H](CO)Nc1ccn2nc(-c3cccs3)cc2n1 61907420 JODBLGSITJUTOR-SNVBAGLBSA-N 288.376 2.641 0 3 CFAF O=C1CCNC[C@@H]1C(c1ccccc1)c1ccccc1 72106699 QQIYQMLCWKSFDN-INIZCTEOSA-N 265.356 2.997 0 1 CFAF C[C@@H]1CC[C@H](O)C(C)(C)[C@]12Cc1cc(C(=O)O)ccc1O2 84709406 FKLYGOHUPOWMKU-SEHCQNQUSA-N 290.359 2.876 0 1 CFAF CO[C@@H]1[C@H]2CCN(CC3CC3)[C@H]1Cc1ccc(O)cc12 195227641 IUFBNRYLSSEFPR-BHYGNILZSA-N 273.376 2.531 0 1 CFAF COC(=O)c1ccc(N2CCc3ccccc3C2=O)cc1 621476515 NEZDYZZURKPBAJ-UHFFFAOYSA-N 281.311 2.676 0 1 CFAF CC(C)(C)[C@H](N)c1nc2ccnc(Br)c2[nH]1 587257531 DNEQOGBHCZWBPT-MRVPVSSYSA-N 283.173 2.766 0 1 CFAF Nc1cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)ccc1F 587140493 LSERVUVWEAAWLZ-UHFFFAOYSA-N 296.305 2.836 0 1 CFAF Cc1cnc2[nH]c(-c3ccc4c(c3)NC(=O)CS4)nc2c1 587042286 CNGRHCIVGDHXAH-UHFFFAOYSA-N 296.355 2.978 0 1 CFAF Cc1ccc(C)n1-c1c[nH]cc(Br)c1=O 587941600 QKOKPFVCIMTLHS-UHFFFAOYSA-N 267.126 2.545 0 1 CFAF COc1nccc2nc([C@@H]3CCCC(=O)CC3)[nH]c12 586888712 XOTWBSJCFNJMAW-SECBINFHSA-N 259.309 2.583 0 1 CFAF CC(C)[C@@](C)(O)c1nc2cc(C(F)(F)F)cnc2[nH]1 586889360 MSURVBBAHDLRQS-LLVKDONJSA-N 273.258 2.840 0 1 CFAF COc1cc2nc([C@@](C)(O)C(C)C)[nH]c2cc1F 586889853 NSFFOVQGWBDLSL-ZDUSSCGKSA-N 252.289 2.574 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1cnn(C(C)C)c1)[C@@H](C2)C3=O 587433416 XSGJOUJGYFTTDA-SUMWQHHRSA-N 298.342 2.961 0 1 CFAF Fc1ccc2c(c1)C[C@H](c1nc3cnccc3[nH]1)O2 587175540 ZNNBXRMYIWDVFF-CYBMUJFWSA-N 255.252 2.773 0 1 CFAF COc1ccc([C@@H]2Cc3cc(O)cc(O)c3C(=O)O2)cc1 14766773 YDKSIUTUSDFNRH-AWEZNQCLSA-N 286.283 2.561 0 1 CFAF COc1ccc(-c2nc(-c3cnc(N)nc3)cs2)cc1 169329348 LVXUYTDWLSTRMV-UHFFFAOYSA-N 284.344 2.858 0 1 CFAF CCOC(=O)[C@]1(CCCc2ccc(Cl)cc2)CO1 1853749 JRJKRKPUMKSDEX-AWEZNQCLSA-N 268.740 2.995 0 1 CFAF COc1cc(SC)ccc1-c1nc2ncncc2[nH]1 27762978 XHVSPLBWACNWCF-UHFFFAOYSA-N 272.333 2.750 0 1 CFAF O=C(c1ccccc1)c1cn2c3c(cccc13)C(=O)NCC2 3832196 YVZHPJCOYCRXKU-UHFFFAOYSA-N 290.322 2.616 0 1 CFAF C[C@H]1C=CC[C@H]2C(=O)N(c3ccc4c(c3)CCC4)C(=O)[C@H]12 3912996 BJEGRBFBZDGDMR-IUIKQTSFSA-N 281.355 2.877 0 1 CFAF Cc1cccc(Nc2c3c(nc4nncn24)CCC3)c1 6742940 CKVWGDLMGNKASY-UHFFFAOYSA-N 265.320 2.665 0 1 CFAF CC(=CCC[C@H](C)C(=O)O)[C@@H]1CC[C@](C)(O)[C@H](OC=O)C1 2356414622 LVQWRRKTHOPOBM-NHIYQJMISA-N 298.379 2.526 0 1 CFAF Cc1nn(C)c2c1C(c1cccc(Cl)c1C)=NCCN2 28095102 RRKMMMNBIBULFZ-UHFFFAOYSA-N 288.782 2.953 0 1 CFAF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(C)o1 103539058 POSOOEYVGUIQNH-KLDSGFLGSA-N 288.307 2.681 0 1 CFAF C[C@]12CCNC(=O)[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 58563606 HSMQDJJGFZMMRG-UCNBBQNYSA-N 291.435 2.726 0 1 CFAF c1cc(Cc2noc(C3CCOCC3)n2)cs1 20784106 PWANFHJSDJCRMM-UHFFFAOYSA-N 250.323 2.616 0 1 CFAF Cc1ccc([C@@H]([C@@H]2Cc3ccccc3O2)n2cnnn2)cc1 26182074 KGRHYXLYQFPRRK-IRXDYDNUSA-N 292.342 2.575 0 1 CFAF CCN(C(=O)[C@@]1(c2ccccc2)C[C@H]1CN)c1ccccc1 29128248 MHSMLXPGKSUMMH-QFBILLFUSA-N 294.398 2.956 0 1 CFAF CCN(CC)c1nc(N)nc2ncc(-c3ccccc3)nc12 27410495 GCWYMQFACRAPMT-UHFFFAOYSA-N 294.362 2.515 0 1 CFAF CN1CCC=C(c2nsnc2OCc2ccccc2)C1 26737206 GWLKQAQRGYTQCJ-UHFFFAOYSA-N 287.388 2.836 0 1 CFAF CCCCOC1=CC(=O)O[C@H]([C@H](O)CCCC)C1 2356608874 JMXFQDONSSPQOG-OLZOCXBDSA-N 256.342 2.554 0 1 CFAF C[C@@H]1CCC2=C1CN(CCc1ccc(O)cc1)C=C2CO 2356839187 LRRSQGDOVCCUQL-CYBMUJFWSA-N 285.387 2.853 0 1 CFAF O=c1oc2ccc(Cl)cc2c(=O)n1Cc1ccccc1 33816193 PJPVBJSRLDXLJB-UHFFFAOYSA-N 287.702 2.656 0 1 CFAF CSc1ccc(C2=C(c3ccccc3)C(=O)NC2=O)cc1 45375212 DNUHDWNRMMJORR-UHFFFAOYSA-N 295.363 2.976 0 1 CFAF O=c1c(-c2ccccc2)c(O)c2ccccc2n1O 199172209 JWUFFJDCGSNZEJ-UHFFFAOYSA-N 253.257 2.611 0 1 CFAF CCC[C@H](C)Nc1nc(N2C[C@@H](C)O[C@H](C)C2)ncc1C 82203135 LXXSBFNXCICVHQ-BFHYXJOUSA-N 292.427 2.999 0 1 CFAF CCCCSc1ccc(-c2cc(=O)[nH]c(N)n2)cc1 95560984 DIBUTLCNNMCNBD-UHFFFAOYSA-N 275.377 2.911 0 1 CFAF O=C1Cc2cc(-c3ccc(F)c(Cl)c3)ccc2C(=O)N1 653722503 ZVJFFHZHRUENNP-UHFFFAOYSA-N 289.693 2.959 0 1 CFAF Oc1nc(-c2nc3ccc(Br)nc3[nH]2)cs1 587016645 DSFNWCGQKBJUMZ-UHFFFAOYSA-N 297.137 2.550 0 1 CFAF FC(F)C(F)(F)c1nc2ccc(Cl)nc2[nH]1 587089225 MGNIGRMNFVLREN-UHFFFAOYSA-N 253.586 2.968 0 1 CFAF CC(C)(SCc1nc2cc(F)cc(F)c2[nH]1)C(=O)O 586958503 HQZNFVATODIRDM-UHFFFAOYSA-N 286.303 2.938 0 1 CFAF COc1ccc(C)cc1NCCCc1nc2cnncc2[nH]1 587228311 AZDWHMRKIFEZSK-UHFFFAOYSA-N 297.362 2.715 0 1 CFAF Oc1nc(O)c2cc([C@@H]3CCCc4ccccc43)cnc2n1 587560827 AHTSLMPSGROMMR-ZDUSSCGKSA-N 293.326 2.904 0 1 CFAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(CNC)N1 962952723 VPMLEWWBJLIOKR-BDJLRTHQSA-N 257.381 2.527 0 1 CFAF CN(C)[C@H]1CC[C@H](Nc2ncnc3ccoc23)CC1 1857775020 IFYSFPVXYWZNCU-XYPYZODXSA-N 260.341 2.508 0 1 CFAF Cc1nc([C@H](C)n2cc3[nH]cccc-3c2=O)cs1 1857619630 LKNAGXVZYGKBDL-QMMMGPOBSA-N 259.334 2.655 0 1 CFAF Cc1cc(-n2cc(-c3ccc(O)cc3)nn2)ccc1O 1857639265 RQXTYKVZHHTMKR-UHFFFAOYSA-N 267.288 2.654 0 1 CFAF N=C(NCc1ccccc1CO)C(Cl)(Cl)Cl 169323781 GQXCNDGDTSSYHB-UHFFFAOYSA-N 281.570 2.616 0 1 CFAF NN1CCC2(CC1)O[C@H](c1ccccc1)c1ccccc12 33828773 ZQBMIDLBCFJEFK-QGZVFWFLSA-N 280.371 2.971 0 1 CFAF Cc1noc([C@H](C)NCc2ccc(F)cc2)c1C(=O)O 2356318542 ACBZSLPXCXKHKQ-VIFPVBQESA-N 278.283 2.671 0 1 CFAF C[C@H]1[C@H]2Cc3ccc4[nH]nnc4c3[C@@]1(C)CCN2CC1CC1 101230053 CZRWDWGQXCPHDZ-POHZPAGDSA-N 296.418 2.892 0 1 CFAF COc1cc(-c2ccccn2)cc2c1NC(=O)CC2 26487035 SIEMXTAGYZIKQV-UHFFFAOYSA-N 254.289 2.642 0 1 CFAF CC(C)NC(=N)c1ccc2nc(-c3ccccn3)[nH]c2c1 28714563 AREBQCYXMVYZEX-UHFFFAOYSA-N 279.347 2.948 0 1 CFAF Cc1ccc(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 100504193 APWHYIPFRFZGGK-IRXDYDNUSA-N 294.398 2.776 0 1 CFAF CC(C)Cn1cnc2cc3c(cc21)[C@H]1CNC[C@@H]3C1 28527423 KTCKWEYGXKJYMD-NWDGAFQWSA-N 255.365 2.866 0 1 CFAF COc1cc(N2Cc3ccccc3C2=O)ccc1N(C)C 29038435 BRCPSHVPJHUKIR-UHFFFAOYSA-N 282.343 2.922 0 1 CFAF CO[C@H]1CCc2c1cnc1c2COc2ccc(O)cc2-1 2356646540 GGXULTHGGJJDGL-AWEZNQCLSA-N 269.300 2.980 0 1 CFAF COc1ccc(C(=O)Nc2cc(C)ccc2C(=O)O)cc1 66136324 CWWPKGOGUNTZCX-UHFFFAOYSA-N 285.299 2.954 0 1 CFAF COc1cc(O[C@@H]2CCCCC2=O)cc2oc(=O)ccc12 45496240 LUECWJLDTLOTJU-CYBMUJFWSA-N 288.299 2.692 0 1 CFAF COc1cc2c(cc1OC)[C@@H](c1cccc(N)c1)NCC2 40879965 FGZKNBGSZGGCGF-QGZVFWFLSA-N 284.359 2.521 0 1 CFAF COc1ccc(-n2nnc(-c3ccco3)c2C)cc1 299852690 WJVISXSOKPAANV-UHFFFAOYSA-N 255.277 2.844 0 1 CFAF NC1CC(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)C1 587255270 KWVZJLVPMFDPFR-UHFFFAOYSA-N 271.698 2.774 0 1 CFAF FC(F)(F)OCc1nc2cc(Cl)ncc2[nH]1 587122145 AEPFMSPNEVHTID-UHFFFAOYSA-N 251.595 2.648 0 1 CFAF CC[C@H]1CCC(=O)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587405580 MFNNRAAFVOZQTB-MGPLVRAMSA-N 273.332 2.670 0 1 CFAF CCCOc1cccc(Cc2nc3cncnc3[nH]2)c1 587779152 VHYIIJQXFRCHQC-UHFFFAOYSA-N 268.320 2.733 0 1 CFAF Oc1ccc2scc(-c3nc4ncc[nH]c-4n3)c2c1 587032307 SQXONFHTOOGRQC-UHFFFAOYSA-N 268.301 2.892 0 1 CFAF CCn1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587390357 GUOFVVIIVFXYRQ-AWEZNQCLSA-N 271.320 2.500 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O)cc1)O2 587403080 DZGCOIKYOANQMV-OAHLLOKOSA-N 269.300 2.989 0 1 CFAF Cc1ncsc1-c1c[nH]cc1-c1nc2ncc[nH]c-2n1 587028120 LCMDXWBQBFYVTQ-UHFFFAOYSA-N 282.332 2.732 0 1 CFAF CN1CCc2cnn(C)c2[C@@H]1[C@@H]1C[C@H]1c1ccccc1 963954174 HCIIDKMRHCNXTI-UXLLHSPISA-N 267.376 2.753 0 1 CFAF c1cc2[nH]cc(CCN3CCCCC3)c2cc1-n1cnnc1 13765975 SHPKDICOZRAQSP-UHFFFAOYSA-N 295.390 2.777 0 1 CFAF CCC[C@H](O)CC(=O)CCc1ccc(O)c2c1CCCO2 2356364050 OZXGXOXGKHQSOL-ZDUSSCGKSA-N 292.375 2.770 0 1 CFAF CC1=CC2=N[C@H](Nc3ccc(F)c(Cl)c3)SN2N1 100475366 UVTHJJXICOBXSJ-NSHDSACASA-N 284.747 2.959 0 3 CFAF CCC1(CC)C(=O)NN=C1c1ccc(-n2ccnc2)cc1 29465143 KJXDTXTYGLQNFF-UHFFFAOYSA-N 282.347 2.513 0 1 CFAF CN(Cc1cnc[nH]1)c1cccc(OC(F)F)c1 114274657 TZMWBBMDKMZRFN-UHFFFAOYSA-N 253.252 2.648 0 1 CFAF CCC(CC)NC(=O)Nc1ccnc(-c2ccncc2)n1 27983836 ILALWOSBVGRIME-UHFFFAOYSA-N 285.351 2.849 0 1 CFAF CC(C)(O)[C@@H]1CC[C@]2(C)CCC[C@](C)(NC=O)[C@H]2C1 2356447769 CSMSTHRRSQLQQJ-VRKREXBASA-N 267.413 2.869 0 1 CFAF C[C@H]1CC(=O)C[C@@]23CCN(C)[C@@H](Cc4ccc(O)cc42)[C@H]13 29476933 QTMXUFYDRJEECW-VMCJVTOISA-N 285.387 2.505 0 1 CFAF C[C@]12CCC[C@@H]3[C@@H]1[C@@](C)(CCC2)N(C=O)[C@@]3(C)CO 2356794733 ICOSESAQWODCNK-JKJDWNRSSA-N 265.397 2.575 0 1 CFAF CCN[C@H](C)C(=O)Nc1nsc2ccc(C)cc12 40917694 XEHPLODDQMQUTF-SECBINFHSA-N 263.366 2.541 0 1 CFAF CC[C@H](C)CNc1nc(N2C[C@H](C)O[C@H](C)C2)ncc1C 82203118 GEKUNPCPDHDKGG-FPMFFAJLSA-N 292.427 2.857 0 1 CFAF NC(=O)c1nnsc1Nc1cccc2ccccc12 196822989 WWWJZOOFMLPYFO-UHFFFAOYSA-N 270.317 2.534 0 1 CFAF O=CN1CCN(c2cc(Cl)cc(Cl)c2)C1=S 40828550 BKXYWUYNQJDJIJ-UHFFFAOYSA-N 275.160 2.557 0 1 CFAF COc1nc2c(Cl)ccc(Cl)c2n2cnnc12 84729339 NTORPIBEKLOPPK-UHFFFAOYSA-N 269.091 2.593 0 1 CFAF O=C1CS[C@@H](c2ccc(O)cc2)N1c1ccc(O)cc1 96915217 HTOXUNMQGLKPTQ-HNNXBMFYSA-N 287.340 2.876 0 1 CFAF Cc1cnc2nc(-c3n[nH]c4c(F)cccc34)[nH]c2c1 587177533 LWQZQJJEPMVIIW-UHFFFAOYSA-N 267.267 2.949 0 1 CFAF CC(C)(C)c1ccc2nc(C[S@@](=O)CC3CC3)[nH]c2n1 586958893 JXVNVRPUSPGWMT-FQEVSTJZSA-N 291.420 2.914 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CCC=CO1)O2 587413634 SZIKOCWJOLSVKM-ZIAGYGMSSA-N 259.305 2.604 0 1 CFAF COCOC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522921 JBXKHGQDJVJUHL-LBPRGKRZSA-N 276.332 2.520 0 1 CFAF O=C(O)/C=C/C=C\c1nc2ncc(C(F)(F)F)cc2[nH]1 587966407 CKDOEEWEMUBHAX-HSFFGMMNSA-N 283.209 2.631 0 1 CFAF CC(C)(SCc1nc2ccc(F)c(F)c2[nH]1)C(=O)O 586959774 QIFVDIBBCYEEGL-UHFFFAOYSA-N 286.303 2.938 0 1 CFAF CC(=O)OC[C@@H]1[C@H]2C[C@H]2[C@]2(C)C=C3OC(=O)C(C)=C3C[C@@H]12 196224324 AFQYMJMJVURITP-MAKQCAJESA-N 288.343 2.599 0 1 CFAF O[C@@H](C[C@H]1c2ccccc2-c2cncn21)c1cccnc1 203789664 JNVJGLYGJXLWMV-RDJZCZTQSA-N 277.327 2.972 0 1 CFAF CC(=O)Nc1cccc2c1C(=O)c1c(C(C)C)n[nH]c1-2 13492169 XZJJYGFJFWJWDZ-UHFFFAOYSA-N 269.304 2.703 0 1 CFAF CC1(C)C/C=C\CC[C@H](O)[C@@H](O)CCC(C)(C)C1=O 5538585 BEWPNOHISJLCQR-REPZICSESA-N 268.397 2.850 0 1 CFAF CCc1nc(N)nc(N)c1C12CC3CC(CC(C3)C1)C2 5424448 NWNWFKCZEKDIHU-UHFFFAOYSA-N 272.396 2.671 0 1 CFAF COc1ccc(CCCc2c(O)cc(O)cc2O)cc1O 6018534 VLLRBLRSPUPCPC-UHFFFAOYSA-N 290.315 2.693 0 1 CFAF CCCN(CCC)CCc1ccc(C(=O)O)c(O)c1 26168936 RKNBAWXDBJDVPU-UHFFFAOYSA-N 265.353 2.755 0 1 CFAF COC(=O)[C@@H]1[C@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C 2539814 QUSLQENMLDRCTO-BYNSBNAKSA-N 277.339 2.565 0 1 CFAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC(=O)NC2=O 6482701 PLKNBMMJILFMCQ-BSXFFOKHSA-N 299.370 2.501 0 1 CFAF COC(=O)[C@H]1[C@@H](c2ccc(F)c(C)c2)C[C@H]2CC[C@@H]1N2C 56727962 JWQGRCSMNJKNOQ-VDERGJSUSA-N 291.366 2.873 0 1 CFAF c1ccc(C[C@@H]2CNCCN2c2ccc3[nH]ncc3c2)cc1 53313324 BLEJWKMRQPRJHY-QGZVFWFLSA-N 292.386 2.584 0 1 CFAF CCc1c(C(=O)NC)[nH]cc2nc3ccccc3c1-2 100667229 DDPPSXYEQLJZCL-UHFFFAOYSA-N 253.305 2.590 0 1 CFAF O=C1NC(=O)[C@H](Cc2ccc(OCC3CCC3)cc2)S1 26567923 ZYEZPBNIRKMUEA-ZDUSSCGKSA-N 291.372 2.760 0 1 CFAF Cc1nc(CCN2CC[C@@](O)(c3ccccc3)C2)cs1 20166483 LDXQVCYLTNFJOK-INIZCTEOSA-N 288.416 2.588 0 1 CFAF CC(C)=C[C@@H]1[C@H](COC(=O)[C@@H](O)C(C)C)C1(C)C 2356408652 LMUFVISGPNZNCI-AGIUHOORSA-N 254.370 2.785 0 1 CFAF CC[C@@H]1[C@H]2CCN(C)[C@H]1[C@@H]1c3ccccc3N[C@H]1[C@H]2CO 2356504384 PDVIEYDJFPUAAG-JSQSIACASA-N 286.419 2.533 0 1 CFAF CCCC=CC=CC=C(C)[C@@H]1OC[C@H](C)[C@@H](O)[C@H]1O 2356624900 SSDFRIQMXWLXBU-JJXSEGSLSA-N 266.381 2.602 0 1 CFAF NCCCn1c2c(c3ccccc31)C(=O)CN1CCCC[C@@H]21 29217220 NSSCUFMOMIKWCY-HNNXBMFYSA-N 297.402 2.713 0 1 CFAF CNC[C@@H](O)[C@H](c1ccccc1)n1ccc2ccccc21 34619314 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O=C(O)c1cccc2c1CCN[C@@H]2c1ccc2oncc2c1 963120393 HJZHIKWIAUJUOF-MRXNPFEDSA-N 294.310 2.761 0 1 CFAF CN1CCc2c(Br)cccc2[C@]1(C)CCCO 963279897 KTZIDBDSCAJLDC-AWEZNQCLSA-N 298.224 2.925 0 1 CFAF CC(C)c1cccc(-c2cc(=O)c(O)c(C(=O)O)[nH]2)c1 1857555097 UUPHQNIYRUADLB-UHFFFAOYSA-N 273.288 2.569 0 1 CFAF COc1ccc2oc(-c3ccco3)c(O)c(=O)c2c1 1857586504 QZEGQCHPRXOKMI-UHFFFAOYSA-N 258.229 2.767 0 1 CFAF CCOC(=O)C1=CCO[C@@H]1c1ccccc1Cl 1772627667 FIANBVRDXSIKAR-GFCCVEGCSA-N 252.697 2.901 0 1 CFAF CC1(C)CCC[C@]2(C)[C@H]3COC(=O)[C@@]3(O)CC[C@H]12 14449364 ARYYYZGVCTUYKP-HKCMKHECSA-N 252.354 2.517 0 1 CFAF Fc1ncc([C@H]2C[C@@H]3CC[C@H]2N3)cc1Br 13491714 HREHVDXXFVARNZ-QXFUBDJGSA-N 271.133 2.591 0 1 CFAF CN1CCN(C2=Nc3ccccc3Oc3ncccc32)CC1 13734587 XFCSELOAQOHEHG-UHFFFAOYSA-N 294.358 2.513 0 1 CFAF CN1[C@@H]2CC[C@@H]1[C@@H](c1ccc(Br)nc1)C2 169315816 GXJFGFJKAUWQKD-GMTAPVOTSA-N 267.170 2.794 0 1 CFAF O=c1nc(-c2ccccc2)c2c3c(cccn13)CCC2 1620411 PLRKPSZTVDJKHD-UHFFFAOYSA-N 262.312 2.850 0 1 CFAF 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587455972 RNRGASLHCQRWGX-ZBEGNZNMSA-N 270.284 2.951 0 1 CFAF COc1ccc(NC(C)(C)c2nc3cc(=N)[nH]cc3[nH]2)cc1 587201194 JNCKPBVHJKBROU-UHFFFAOYSA-N 297.362 2.726 0 1 CFAF COC(=O)[C@@H]1CCc2c(nc3cccc4c3c2CC4)C1 587214244 PSUGCTWZCUYEES-LLVKDONJSA-N 267.328 2.611 0 1 CFAF CC(C)Oc1ccc2nc(Cc3ccc(=N)[nH]c3)[nH]c2c1 587254563 NESGNDKNXSRBFJ-UHFFFAOYSA-N 282.347 2.748 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(CCS[C@H]1C)[C@@H](C2)C3=O 587454261 VTPDRQCGGPNFND-PEGZWESCSA-N 276.357 2.707 0 1 CFAF COc1ccc2nc(-c3c(C)cccc3OC)[nH]c2n1 587786320 KCABNFPUTBIBGR-UHFFFAOYSA-N 269.304 2.951 0 1 CFAF Oc1ccc2c(c1)[C@@H](c1cn(-c3ccccc3)cn1)NCC2 963354653 XSHSPTIWGKBJLW-SFHVURJKSA-N 291.354 2.813 0 1 CFAF c1ccn2c3c(nc2c1)CCN[C@]31CCCc2scnc21 962982819 KVLKQBOQYFKZBV-INIZCTEOSA-N 296.399 2.516 0 1 CFAF CC(=O)Nc1ccccc1[S@](=O)c1ccccc1 5663708 FOTCKOVKDZSJGX-SFHVURJKSA-N 259.330 2.812 0 1 CFAF CC1=C2[C@@H]3OC(=O)[C@H](C)[C@H]3CC[C@]2(C)C=C/C1=N\O 5492857 DZFUMKYXWIWTMJ-SILCMEKASA-N 261.321 2.681 0 1 CFAF Oc1ccccc1-c1ccc(CNCC2CCNCC2)o1 1857651648 WHQSORLXQGLGAO-UHFFFAOYSA-N 286.375 2.741 0 1 CFAF Cc1ccc(F)cc1N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 426062 NQQJAOQOZURINV-VXGBXAGGSA-N 259.280 2.590 0 1 CFAF O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(C2CCCC2)CC1 113833826 HWMBAVRLHNTAQB-ROUUACIJSA-N 298.430 2.877 0 1 CFAF CNC(=O)N(C)[C@H]1c2ccccc2Oc2cccnc21 28006986 TYXNHAOSQFVBGX-AWEZNQCLSA-N 269.304 2.548 0 1 CFAF CC[C@@H](C)[C@](O)(c1ccc(OC)cc1)c1cncnc1 28767774 IHQMZHLUUURIOZ-WBMJQRKESA-N 272.348 2.767 0 1 CFAF CC(C)(C)[P@@](=O)(c1ccncc1)N1CCCC1 37868892 RCOYOLLLPZYRFP-KRWDZBQOSA-N 252.298 2.879 0 1 CFAF COC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccs1 253861120 ZLWKHMNSEAGVBX-RQRDVPDKSA-N 289.400 2.787 0 1 CFAF c1ccc(CCN[C@@H]2[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)cc1 261125056 KBAKPEFQDPCCTP-SODBBKGISA-N 265.400 2.965 0 1 CFAF N=c1cc2nc(CCc3ccccc3Cl)[nH]c2c[nH]1 587058691 IGAJDHSEOGEWHJ-UHFFFAOYSA-N 272.739 2.809 0 1 CFAF C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(C(N)=O)cc2[nH]1 587169038 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C[C@@H](Nc1ccc(C(=O)c2ccccc2)cc1)C(=O)O 53044898 VKBLQCDGTHFOLS-LLVKDONJSA-N 269.300 2.803 0 1 CFAF CCC1(CC)C[C@@H](CCNC(=O)c2ccccc2)OC1=O 103286423 XOKOZKPKPRACHM-CQSZACIVSA-N 289.375 2.928 0 1 CFAF Cc1csc(-c2nnc(C3(O)CCCCC3)[nH]2)c1 103175734 OCFNMGDEXLSNLD-UHFFFAOYSA-N 263.366 2.993 0 1 CFAF Cc1cc(Cl)c2oc(N3CCN(C)CC3)nc2c1 28713681 FNSCACWYXBRBDM-UHFFFAOYSA-N 265.744 2.541 0 1 CFAF O=C(O)CCCCCCCCC[C@H](CC(=O)O)C(=O)O 2356539245 HTCHLYDQJRKGDD-LLVKDONJSA-N 288.340 2.757 0 1 CFAF CCOC(=O)[C@@H]1Nc2c(OC)cccc2[C@H]2OCCC[C@H]21 64503912 PVCMGXZBXILJJN-NILFDRSVSA-N 291.347 2.520 0 1 CFAF CC[C@](C)(O)C[C@@H](C)c1cc(OC)c(C)c(=O)o1 2356809743 ASQJXEOZHCDEDM-OTYXRUKQSA-N 254.326 2.611 0 1 CFAF Cn1c(O)c(-c2ccccc2)c(=O)c2ccccc21 1280535 YFUWCQJVUOARCI-UHFFFAOYSA-N 251.285 2.911 0 1 CFAF biogenic COc1ccc2c(c1)-c1c3c(cc4c1[C@H](C2)NCC4)OCO3 3651993 RXJUIQSLHGASSV-AWEZNQCLSA-N 295.338 2.834 0 1 CFAF biogenic CCCC(=O)Nc1ccc(-c2cccnc2OC)cn1 32577803 HLXAFOPZRAFTTC-UHFFFAOYSA-N 271.320 2.891 0 1 CFAF CN1[C@H]2CCC[C@@H]1[C@H](OC(=O)C1CCCCC1)C2 38146029 OALBGXZFCMPEGE-BFHYXJOUSA-N 251.370 2.735 0 1 CFAF Cc1nc2nc(N3CCC[C@@H]4CCCC[C@@H]43)ccc2[nH]c1=O 82231663 VRWPWNJEFRFRTF-JSGCOSHPSA-N 298.390 2.786 0 1 CFAF C[n+]1cscc1C(C)(C)OC(=O)c1ccccc1 42967111 NTIXVZDILNZTPF-UHFFFAOYSA-N 262.354 2.665 0 1 CFAF CCOC(=O)c1cc(/C=C/c2cccc(O)c2)on1 45290608 LSQORKGMKHPUKI-VOTSOKGWSA-N 259.261 2.727 0 1 CFAF NCCOC(=O)c1coc(-c2ccc3ccccc3c2)n1 82086349 NIGLPTHWORZNGJ-UHFFFAOYSA-N 282.299 2.610 0 1 CFAF CCCN1CCO[C@@H]2c3cc4c(=O)[nH]ccc4cc3CC[C@H]21 40940456 BHWFWVGETJBMKF-IAGOWNOFSA-N 298.386 2.626 0 1 CFAF Cc1ccncc1N1CCN(c2ccc3oncc3c2)C1=O 148745799 GQBQWKUYLDYPTJ-UHFFFAOYSA-N 294.314 2.978 0 1 CFAF [O-][n+]1onc(COc2ccccc2)c1-c1ccccc1 95554777 PEUGHNLKRKTOLA-UHFFFAOYSA-N 268.272 2.554 0 1 CFAF CC(C)(C)CN1Cc2cc3c(cc2NCCC1=O)OCO3 299851802 KAILRLZLNZKPQR-UHFFFAOYSA-N 290.363 2.606 0 1 CFAF CC[C@]1(C)C[C@@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586885897 AIIWHTPLUGMEMN-QMTHXVAHSA-N 278.377 2.870 0 1 CFAF 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COc1ncccc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587394343 UKRPIRCIKOBHOT-KRWDZBQOSA-N 298.342 2.861 0 1 CFAF CCc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)on1 587436315 NQUPKOGVYALTOI-BDJLRTHQSA-N 285.299 2.734 0 1 CFAF COc1cc2c3c(c1)O[C@]1(CC[C@@H]1OC(C)C)[C@@H](C2)C3=O 587440936 DINOTLDITXUPCJ-RVSPLBMKSA-N 288.343 2.769 0 1 CFAF NC(=O)Nc1cccc(-c2nc3ccc(Cl)nc3[nH]2)c1 587241868 JTFIEUPNVWFRJK-UHFFFAOYSA-N 287.710 2.769 0 1 CFAF COc1cc(OC)c2[nH]c(-c3cnc(Cl)nc3)nc2c1 587086127 SWOAAZCSGVRXAK-UHFFFAOYSA-N 290.710 2.691 0 1 CFAF Cc1c(F)ccc2c1[C@@](C)(c1cscn1)NCC2 962374555 LEPBJVHRAPBRGF-CQSZACIVSA-N 262.353 3.000 0 1 CFAF c1ccc(C[C@H]2CCCC[C@@H]2NC2=NCCO2)cc1 13807965 YEPGXJIOCYXZAI-CABCVRRESA-N 258.365 2.764 0 1 CFAF Cc1cc(O)c2c(c1)CO[C@H]2c1c(O)cccc1O 14650030 KXVCRSXYCVASDF-OAHLLOKOSA-N 258.273 2.731 0 1 CFAF C[C@H]1C[C@]23CCN(C4CC4)[C@H](Cc4ccc(O)cc42)[C@H]3O1 169316844 WQUPWYDTMSCCOT-YTYAUXFGSA-N 285.387 2.600 0 1 CFAF CN(C)C(=O)c1ccc(-c2cc(F)c(O)c(C=O)c2)cc1 169699672 UMJPAXLMBLDQOX-UHFFFAOYSA-N 287.290 2.713 0 1 CFAF O=C(O)c1ccc2c(c1)nc(NCCO)c1ccsc12 167738079 UGPAYORBGSATRA-UHFFFAOYSA-N 288.328 2.552 0 1 CFAF O=C(NN1CC=CCC1)c1ccc(C(F)(F)F)cc1 27753626 AJDDHBCMYRDFMW-UHFFFAOYSA-N 270.254 2.612 0 1 CFAF COc1ccccc1CCNc1ncnc2ccc(N)cc12 3629254 AVFWMTYNHGAUGJ-UHFFFAOYSA-N 294.358 2.875 0 1 CFAF CO[C@@H]1CC[C@H]1N1C(=O)CS[C@@H]1c1c(F)cccc1F 58566860 DOYWPVHFSLHLKP-JTNHKYCSSA-N 299.342 2.716 0 1 CFAF CCc1cccc(C)c1N1C(=O)CN(CC)C1=S 27759939 OQZSXXHAOOVQIN-UHFFFAOYSA-N 262.378 2.511 0 1 CFAF COc1cccc(N(NC2=NCCN2)c2ccc(C)cc2)c1 28526324 NEQHKSNFFVEGHN-UHFFFAOYSA-N 296.374 2.606 0 1 CFAF C[C@@H]1Cc2ccccc2N1C(=O)NC1C[C@@H]2CC[C@@H](C1)N2C 100809229 ADNOGBBEPMOQOD-KCXAZCMYSA-N 299.418 2.772 0 1 CFAF O=C(OCCF)c1cc2c3ccccc3nc-2c[nH]1 100707856 RGKMYZRRTVHTJB-UHFFFAOYSA-N 258.252 2.794 0 1 CFAF COc1cc2c(cc1O)CCN=C2C(=O)c1ccccc1 27558448 BBXBSVSZWYCTEV-UHFFFAOYSA-N 281.311 2.629 0 1 CFAF Cn1nc(-c2ccc(O)cc2)nc1-c1cccc(O)c1 40380135 SMMKUMPCCQCGKP-UHFFFAOYSA-N 267.288 2.560 0 1 CFAF O=C(Nc1ccccc1Cl)c1nnn2ccccc12 49111480 SGZJTQVMZSIZMJ-UHFFFAOYSA-N 272.695 2.635 0 1 CFAF COc1cnc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144826131 SPFDXWPHKCAKDW-ZDUSSCGKSA-N 281.233 2.869 0 1 CFAF NC(=O)c1sc2nccc(NC3CCCCC3)c2c1N 95602917 LWPZOXRGZROFOW-UHFFFAOYSA-N 290.392 2.722 0 1 CFAF COc1ccc(/C=C\Cc2nc3cncnc3[nH]2)c(OC)c1 587930919 WYABPYWVJRRORF-ARJAWSKDSA-N 296.330 2.626 0 1 CFAF Oc1ccc2nc(Cc3csc4nccn34)[nH]c2c1 587040849 SKOJXUTWTRNLFJ-UHFFFAOYSA-N 270.317 2.569 0 1 CFAF Cc1ccc2nc(CS(=O)(=O)C3CCCC3)[nH]c2c1 586924084 GQGBVFDHFQQCMF-UHFFFAOYSA-N 278.377 2.729 0 1 CFAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cnccc2[nH]1 587174378 IWJWBLREDDOFRB-GFCCVEGCSA-N 295.321 2.821 0 1 CFAF C=C(NC(C)=O)c1nc2cccc(OC(F)(F)F)c2[nH]1 587202824 HURUSKQCDGBRBP-UHFFFAOYSA-N 285.225 2.568 0 1 CFAF CC[C@H](C)c1cccc(OC[C@H](O)CNC(C)C)c1 5925514 PPYOOTZYZMMBNR-DZGCQCFKSA-N 265.397 2.938 0 1 CFAF CCCCCCOc1nccnc1[C@H]1CN2CC[C@H]1C2 13743111 NFWZXXINCSENSK-KBPBESRZSA-N 275.396 2.855 0 1 CFAF Nc1ccc(C23CC(C2)C(=O)N(C2CCCCC2)C3=O)cc1 13821340 QQMGXUVJMQNZGE-UHFFFAOYSA-N 298.386 2.618 0 1 CFAF Cc1[nH]n(C)c(=O)c1C(=N)c1ccc2ccccc2c1 169319979 OESVKMKIYFDFQU-UHFFFAOYSA-N 265.316 2.591 0 1 CFAF CN[C@@H](Cc1ccc2c(c1)OCO2)c1cccc(OC)c1 169326686 BFEKZBGWDKFRDW-HNNXBMFYSA-N 285.343 2.927 0 1 CFAF O=C(O)Cc1ccc2c(c1)Oc1ccccc1C[C@H]2O 26013356 KXKBLMPSMSJSJQ-CYBMUJFWSA-N 270.284 2.696 0 1 CFAF C[C@@]12CC(=O)Nc3ccccc3N1C(c1ccccc1)=NO2 1636835 RUJQGUDBSZASHN-QGZVFWFLSA-N 293.326 2.943 0 1 CFAF CC(C)[C@@H](O)[C@H](O)C[C@H](C)CCC(=O)c1ccoc1 1844924 PRLJTIPWGNRUNG-KCPJHIHWSA-N 268.353 2.647 0 1 CFAF endogenous,in-man O=C1[C@H]2C=Nc3ccccc3C2=NN1c1ccccc1 100666852 QUUNMICPMYIHFS-ZDUSSCGKSA-N 261.284 2.770 0 1 CFAF Cc1c(N2CC[C@](C)(O)[C@@H]2C)ccc(C#N)c1Cl 118794911 SNXSUBYHKSATAO-HZMBPMFUSA-N 264.756 2.870 0 1 CFAF CC(C)=CCC(=O)[C@@H](C)CCC[C@@]1(C)CO[C@@H](CO)CO1 27441271 UTFITFNGJUFYBJ-ZOBUZTSGSA-N 298.423 2.885 0 1 CFAF Cc1cc(OC(=O)N(C)C)nc(-c2ccccc2)n1 103197594 BITCQGCKOZIUSB-UHFFFAOYSA-N 257.293 2.512 0 1 CFAF COc1ccc(-n2cc(-c3ccc(O)c(OC)c3)nn2)cc1 28567543 XGMNQLNDTARBMY-UHFFFAOYSA-N 297.314 2.657 0 1 CFAF CCOC(=O)C1=C(O)C(=O)N(c2cccc3ccccc23)C1 25969529 OTFQIHABCJFGKA-UHFFFAOYSA-N 297.310 2.562 0 1 CFAF CCC[C@H]1[C@@H]2Cc3ccc(O)c4c3[C@]1(CCN2C)CO4 29557889 YJYVLAIQUINEOT-GDZNZVCISA-N 273.376 2.699 0 1 CFAF Cc1nc(NC(=O)c2cccc3oc(O)nc23)cs1 28881336 ODMBDPAWRLGDOQ-UHFFFAOYSA-N 275.289 2.551 0 1 CFAF CC(=O)O[C@@H]1[C@@H]2[C@H](C(C)C)CC[C@H](C)[C@]2(O)CC[C@@]1(C)O 2356596299 FNTLZZCGECJXCR-OLTDLULHSA-N 298.423 2.512 0 1 CFAF COc1cc(C=Cc2ccc(O)c(OC)c2)oc(=O)c1 2356606675 YHVDGZPFCGLBOW-UHFFFAOYSA-N 274.272 2.533 0 1 CFAF COc1cc2c(cc1O)[C@@H](CC(C)C)N(C(C)=O)CC2 40894535 QPOQSLNCBGKZOX-CQSZACIVSA-N 277.364 2.893 0 1 CFAF CN1C[C@H]2CN(c3cncc(-c4ccccc4)c3)C[C@H]2C1 40425351 ZJMZMRZSCVONSZ-CALCHBBNSA-N 279.387 2.746 0 1 CFAF NC(=S)N1NC2=C(CCCC2)[C@@H]1c1cccs1 45348251 SRESKHZWUZZRAG-LLVKDONJSA-N 265.407 2.681 0 1 CFAF CC(C)CCCNC(=O)OCCCc1c[nH]cn1 49021652 SLNNRHSUBZSDIV-UHFFFAOYSA-N 253.346 2.505 0 1 CFAF CC(C)[C@@H]1CNC(=O)c2cc(-c3ccncc3)[nH]c21 40847094 DAENWNUTCUORJB-LBPRGKRZSA-N 255.321 2.560 0 1 CFAF Cc1ccc([C@H]2NC(=O)c3n[nH]c(C(C)C)c32)cc1 199730087 PWSZCVGTTWRTGD-CYBMUJFWSA-N 255.321 2.674 0 3 CFAF CC(C)=CCC[C@]1(C)[C@H]2[C@@H](O)CC(C(=O)O)=C[C@H]21 299824954 FDIVBBVUHYDHDS-COMQUAJESA-N 250.338 2.761 0 1 CFAF Cc1[nH]c2ccc(F)c(Cl)c2c1N(C)CCO 587630885 SDKJZWWQOAVBOD-UHFFFAOYSA-N 256.708 2.697 0 1 CFAF Fc1ccc2nc([C@@H]3CCOC3)[nH]c2c1Br 586911314 GTIAFADHOFTSQJ-ZCFIWIBFSA-N 285.116 2.968 0 1 CFAF Brc1cc2nc(C3CCC3)[nH]c2cn1 586883998 JFYGMCNUQCNCRF-UHFFFAOYSA-N 252.115 2.988 0 1 CFAF Oc1nc(O)c2cc([C@H]3CCCc4ccccc43)cnc2n1 587560819 AHTSLMPSGROMMR-CYBMUJFWSA-N 293.326 2.904 0 1 CFAF O=C1COc2cc3[nH]c([C@@H]4C[C@H]5C=C[C@@H]4C5)nc3cc2N1 587967578 QFJCFGKEZIRGTQ-IVZWLZJFSA-N 281.315 2.573 0 1 CFAF CC(C)(C)c1cccc2nc(C[C@@H]3COCCO3)[nH]c12 586909485 GJAHWDCJRWUPAM-LLVKDONJSA-N 274.364 2.818 0 1 CFAF COC1([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)CCCC1 587403989 SOBFKVOWOPAGGG-AWEZNQCLSA-N 275.348 2.870 0 1 CFAF Fc1ccc2c(c1)C[C@@H](c1nc3cccnc3[nH]1)O2 587175291 XKDJRVGNWHJKHY-LBPRGKRZSA-N 255.252 2.773 0 1 CFAF CC(C)[C@@H]1CCc2cc3c(O)nc(O)nc3nc2CC1 587562315 WDWXFHCNJSWBKZ-SECBINFHSA-N 273.336 2.587 0 1 CFAF O=Cc1cccc(C(=O)Sc2ccc(F)cc2)n1 13487714 FAGANNYYUYYSOY-UHFFFAOYSA-N 261.277 2.966 0 1 CFAF COc1c(O)ccc2c1OC[C@@H](Cc1ccc(O)cc1)C2 14810998 CPKWBZLDPWJFPM-LBPRGKRZSA-N 286.327 2.900 0 1 CFAF CCNC[C@@H]1CCc2c(OC)ccc(Cl)c2C1=O 169319201 QPGBCMADEHRWHP-VIFPVBQESA-N 267.756 2.703 0 1 CFAF O=C(O)COc1c(Cl)cc(Cl)cc1/C=C/[N+](=O)[O-] 169340563 BAIFPEWUJUAAHU-OWOJBTEDSA-N 292.074 2.704 0 1 CFAF Cc1ccc(Oc2cc(C)ccc2P(=O)(O)O)cc1 1642180 CSAQEFCFLZAGST-UHFFFAOYSA-N 278.244 2.899 0 1 CFAF O=C1[C@@H](O)C[C@@]23CCCN1[C@@H]2c1c([nH]c2ccccc12)CC3 2356418483 KLYJAYKJNHMFJX-LESCRADOSA-N 296.370 2.529 0 1 CFAF Cc1c(C(C)(C)C)c(=O)on1C(=O)N1CCCCC1 26940468 PTCNHKVZXHGICF-UHFFFAOYSA-N 266.341 2.501 0 1 CFAF CC1=C[C@H](O)[C@H]2[C@H](C)C(=O)O[C@@H]2CC(C)=CCC1 2356774529 AFDPKUTUPAAEAI-IGQOVBAYSA-N 250.338 2.602 0 1 CFAF C1=C2c3[nH]c4ccccc4c3CCN2Cc2[nH]cnc21 2356875112 ZZLSJXNJDMTWLB-UHFFFAOYSA-N 262.316 2.761 0 1 CFAF O=C(NCCc1ccc2c(c1)OCO2)Oc1ccccc1 62162699 UDHGFJGFEVRZBW-UHFFFAOYSA-N 285.299 2.746 0 3 CFAF COc1ccc2c(c1)C(=O)C(c1ccccc1)=[N+]2[O-] 45254173 ZQVBYFDEGOFPGY-UHFFFAOYSA-N 253.257 2.523 0 1 CFAF CCN(C)C(=O)Oc1cccc2c1[C@H](CCC(=O)O)CN2 95564833 XKDHSIQMYLWKMP-SNVBAGLBSA-N 292.335 2.511 0 1 CFAF C[C@@H]1O[C@H](C(C)(C)C)CC2=C1C(=O)OC(C)(C)O2 95567179 WWOUMTNWQRUXPK-WPRPVWTQSA-N 254.326 2.774 0 3 CFAF Clc1ncnc2[nH]c(-c3csc4c3CCOC4)nc12 587031410 GIOHDNXOEYDKCP-UHFFFAOYSA-N 292.751 2.808 0 1 CFAF CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659861 GVKAVSGRYLVHPR-UHFFFAOYSA-N 282.274 2.863 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cccnc31)O2 587394212 DOFDTBZCAUPXKB-KRWDZBQOSA-N 280.327 2.779 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccncc1C)O2 587394918 LNERELZRJOKWGZ-HNNXBMFYSA-N 268.316 2.987 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccc(F)cn1)[C@@H](C2)C3=O 587426771 FQCQOVITQWLYNR-ZBEGNZNMSA-N 285.274 2.718 0 1 CFAF CN1CCc2cnn(C)c2[C@]12CCc1c(Cl)cccc12 963953851 DKTJAVKAIMEQJG-MRXNPFEDSA-N 287.794 2.751 0 1 CFAF C1=C2Sc3ccccc3N=C2NN=C1N1CCCC1 1857635863 OENRYAXGHZXSQQ-UHFFFAOYSA-N 270.361 2.719 0 1 CFAF O=C1OCc2cc(NC(=O)c3cccnc3Cl)ccc21 1857756381 MUOAHFHRWGJFLK-UHFFFAOYSA-N 288.690 2.658 0 1 CFAF COc1cc(O)c2c(c1O)O[C@H](c1ccccc1)CC2=O 14807099 AIUFGSSCCIXONA-LBPRGKRZSA-N 286.283 2.813 0 1 CFAF C[C@@H]1C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)cc1 14814915 GRHSSRUEUOYZIV-VPTHRUTESA-N 286.283 2.756 0 1 CFAF CC(=O)[C@H]1[C@H](c2ccccc2)[C@H]2C(C)=NN=C2C[C@]1(C)O 4111578 ZNLUTICYKJBZGH-YVSFHVDLSA-N 284.359 2.577 0 1 CFAF C[C@@H](O)c1onc(-c2cccs2)c1C(=O)N1CCCC1 2356303595 ZGLULSYRECRBSL-SECBINFHSA-N 292.360 2.692 0 1 CFAF OCC[C@@]12N[C@@](Cl)(Cc3ccccc31)c1ccccc12 27887648 ZWRILTPIEXZOMR-SJORKVTESA-N 285.774 2.864 0 1 CFAF CC1(C)C(=O)Nc2cc3[nH]c(-c4ccc[nH]4)nc3cc21 29253866 XKKKWOOXSXDLGV-UHFFFAOYSA-N 266.304 2.788 0 1 CFAF CO[C@H]1CC[C@](CN)(c2cc(F)c(F)cc2F)CC1 103263384 WVFIEHIICOKQME-KMHCFJFGSA-N 273.298 2.889 0 1 CFAF CN1Cc2c(N)cccc2[C@H](c2ccc(F)cc2)C1 28220913 FKNHOQSIGVTVJZ-AWEZNQCLSA-N 256.324 2.985 0 1 CFAF CCOC(=O)[C@@]12C[C@@]1(C)c1cc(Cl)ccc1NC2=O 101057954 POGSINAVXAORJZ-KBPBESRZSA-N 279.723 2.503 0 1 CFAF Cc1cc2nc(N)nc(N)c2cc1NCc1ccccc1 28010577 LBALKXISFBMMEH-UHFFFAOYSA-N 279.347 2.715 0 1 CFAF CCCCC=CC=CC=C[C@@H]1CC[C@H](O)[C@@H](CO)N1C 2356593768 WARMWDVKZKPUTH-ZACQAIPSSA-N 279.424 2.661 0 1 CFAF CO[C@@H]1C(=O)n2c3ccccc3c3ccnc(c32)[C@H]1OC 2356618812 JWCNEMSVILJYCU-CABCVRRESA-N 282.299 2.546 0 1 CFAF O=C(N1CC[C@H](c2cn[nH]c2)C1)N1CCCc2ccccc21 71318193 CWTOLCPMXYKCCN-AWEZNQCLSA-N 296.374 2.772 0 1 CFAF O=C(O)c1cc(/C=C/c2ccc(O)cc2)ccc1O 35976657 NQJNFLIEJNBROH-OWOJBTEDSA-N 256.257 2.966 0 1 CFAF O=C(O)[C@@H]1CCN(c2ccc(F)c(C(F)(F)F)c2)C1 1911581993 VEXFXZQYQGFIBC-SSDOTTSWSA-N 277.217 2.755 0 1 CFAF CNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccc(C)cc1 40379963 ONSNNWXLUHKPDE-MSOLQXFVSA-N 284.403 2.753 0 1 CFAF COc1ccc(-c2ccccc2)cc1OC1CNC1 96175882 RVORCTMDOJCWKW-UHFFFAOYSA-N 255.317 2.713 0 1 CFAF Cc1cccc(C2=NN(C(N)=S)[C@@H](c3cccnc3)C2)c1 95556278 YJGDHFDQCZEUCL-OAHLLOKOSA-N 296.399 2.785 0 1 CFAF CC(=O)O[C@@H]1C[C@@H](C)[C@H]2C[C@H]3[C@@H](O)C[C@](C)(OC3(C)C)[C@H]12 238744611 KSJYGLBFXLTFDO-VQOJOYJTSA-N 296.407 2.529 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnc(C)c1)O2 587394060 PYUMXRXPMMIGMC-OAHLLOKOSA-N 268.316 2.987 0 1 CFAF COc1cc2nc([C@H](C(C)C)N(C)C)[nH]c2cc1OC 587198315 FIMZILIDUHBVQA-AWEZNQCLSA-N 277.368 2.839 0 1 CFAF CCCc1c(O)ccc2c1O[C@@](C)(CCCO)CC2=O 587492763 YLUWINQNCQQRJV-INIZCTEOSA-N 278.348 2.841 0 1 CFAF CC1(C)OC(=O)C[C@@H]1c1nc2cnc3ccccc3c2[nH]1 586910340 OOPYKDZYFSUWLF-SNVBAGLBSA-N 281.315 2.920 0 1 CFAF COC1=Cc2nc3cccc4c3c(c2[C@H](C(=O)O)C1)CC4 587213553 JEEXXHLJWQNZFB-GFCCVEGCSA-N 281.311 2.893 0 1 CFAF N[C@@H](c1nc2cc(Cl)nc(Cl)c2[nH]1)C1CC1 587255528 JNCBPTSDRBNYAY-SSDOTTSWSA-N 257.124 2.675 0 1 CFAF NC(=O)N1CCc2sccc2[C@@H]1C[C@H]1CCCOC1 962701698 BYLYFBDZVSIQJQ-PWSUYJOCSA-N 280.393 2.543 0 1 CFAF COc1ccncc1[C@@]1(C)NCCc2ccc(F)c(C)c21 962297140 IKERRMKHQNGMGE-QGZVFWFLSA-N 286.350 2.947 0 1 CFAF COc1ccccc1/C=C/S(=O)(=O)c1ccccn1 1857556026 JUIUDIWNXKNDBG-PKNBQFBNSA-N 275.329 2.535 0 1 CFAF O=C(/C=C/c1ccccc1Oc1ccccc1)NO 146044445 TVELQZHZSPWQOZ-ZHACJKMWSA-N 255.273 2.998 0 1 CFAF N=[S@@]1(=O)c2ccccc2C(=O)N1Cc1ccccc1 1772646286 VZOQTKQBUAJNHS-IBGZPJMESA-N 272.329 2.663 0 1 CFAF CC[C@H]1CN(C(=O)c2ccccc2)CC[C@H]1CC(=O)O 5433733 CTRNMDUOIMGZNV-JSGCOSHPSA-N 275.348 2.650 0 1 CFAF biogenic CCOC(=O)c1[nH]c2cc(Cl)ccc2c1CC(=O)O 13821256 YAIIFCKGFTZUMI-UHFFFAOYSA-N 281.695 2.625 0 1 CFAF C=C/C(C)=C/[C@@]1(C)SC(=O)[C@H](C(=O)CCC)C1=O 169693629 QVJZZPMYODJJHJ-LXVYHGRKSA-N 266.362 2.705 0 1 CFAF O=C1c2ccccc2C2=NC(=S)N[C@@H](c3ccccc3)[C@H]12 169726027 ORDBGAKTGTYTFW-KBPBESRZSA-N 292.363 2.918 0 1 CFAF Brc1ccccc1N(CC1CC1)C1=NCCN1 28228025 DBPMGILHTOJWOM-UHFFFAOYSA-N 294.196 2.625 0 1 CFAF CCOC(=O)[C@]1(Cc2ccccc2)CCCCCN1 1616776 ARFWYGBVJQPYOZ-MRXNPFEDSA-N 261.365 2.695 0 1 CFAF CN1[C@H]2CC[C@H]1CC(NC(=O)c1c[nH]c3ccccc13)C2 102207356 VZCWUXOAPXKZHI-STQMWFEESA-N 283.375 2.523 0 1 CFAF COc1cc2c(cc1Br)[C@@H](C)CNCC2 28132893 HQQAIJWQKAFMGF-QMMMGPOBSA-N 270.170 2.707 0 1 CFAF O=C1[C@H]2CCCC[C@H]2C(=O)N1Nc1ccccc1Cl 101505376 GCXXLGNMQQUHTE-AOOOYVTPSA-N 278.739 2.842 0 1 CFAF CC(C=CC=C(C)[C@H](O)[C@@H](C)C(=O)O)=Cc1coc(C)n1 2356672644 RVJCGWFQEPVLGJ-DOMZBBRYSA-N 291.347 2.970 0 1 CFAF Nc1nc2ccc(Cl)cc2n2c(C(F)(F)F)nnc12 26379496 QUSCPIBPKZVRNS-UHFFFAOYSA-N 287.632 2.532 0 1 CFAF Cn1c(COc2cccc(CC(=O)O)c2)nc2ccccc21 26492669 BVBBWZJOJAKBGB-UHFFFAOYSA-N 296.326 2.779 0 1 CFAF C[C@@H](O)c1ccc(Cc2c(O)n[nH]c2C(F)(F)F)cc1 27309578 SXCRBQJSBOMJNU-SSDOTTSWSA-N 286.253 2.778 0 1 CFAF COc1ccc2[nH]c(C(=O)Cc3cccnc3)cc2c1O 66080231 HSAANRYQERQTCN-UHFFFAOYSA-N 282.299 2.703 0 1 CFAF O=C(O)c1ccc2c(c1)CCc1c(F)cccc1C2=O 39241994 NBNPCJPMFLKGPQ-UHFFFAOYSA-N 270.259 2.854 0 1 CFAF Cc1ccc(C[C@@H](NC(=O)c2ccc(C)cc2)C(=O)O)cc1 41497298 QJNMRUFDHDGABS-MRXNPFEDSA-N 297.354 2.729 0 3 CFAF CCC(CC)[C@H](N)[P@@](=O)(O)Oc1ccccc1 49071234 QLPGCRNYFILOMW-GFCCVEGCSA-N 257.270 2.972 0 1 CFAF COCCNc1cc(-c2cc(Cl)ccc2OC)ncn1 82161075 CAVKPJNOYNOOAH-UHFFFAOYSA-N 293.754 2.864 0 1 CFAF COc1cc(-n2c(C)cc(O)cc2=O)ccc1Cl 198613876 XSXPZKODQJEYHU-UHFFFAOYSA-N 265.696 2.514 0 3 CFAF Cc1cccc(NC(=O)OC[C@H]2C=CCN(C)C2)c1 84688228 DGDCIMZCZDGKDA-ZDUSSCGKSA-N 260.337 2.661 0 1 CFAF COCc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1 45188974 FUBRFBIDIQZTBN-UHFFFAOYSA-N 299.161 2.761 0 1 CFAF Cc1csc2c(NC[C@H](C)N)nc(-c3ccncc3)nc12 223681686 SHNWYNBRVPIDQS-JTQLQIEISA-N 299.403 2.821 0 1 CFAF O=C1O[C@]2(Oc3cc4c(cc3C2=O)CCC4)c2ccccc21 95587292 DEXLUJVDWVRYCD-GOSISDBHSA-N 292.290 2.774 0 1 CFAF COc1ccc([C@H]2CN(C)Cc3ccccc32)cn1 473220769 XNBOTHGRHLGURP-OAHLLOKOSA-N 254.333 2.668 0 1 CFAF CC(=O)OC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587523130 NREZCPKHVQEVMA-QGZVFWFLSA-N 288.343 2.852 0 1 CFAF Cc1ccnc2[nH]c(/C=C/S(=O)(=O)c3ccccc3)nc12 586923970 BZLWKDWPTLXIOU-CSKARUKUSA-N 299.355 2.711 0 1 CFAF COc1cc2nc(COc3ccc(C)cc3OC)[nH]c2cn1 587563861 JZSMVTFVGDVDAQ-UHFFFAOYSA-N 299.330 2.863 0 1 CFAF COc1ccc(Cc2nc3cncc(OC)c3[nH]2)cc1OC 587926160 JIAGCSPUXGUFHP-UHFFFAOYSA-N 299.330 2.575 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccn(C)c1)O2 587388945 BZBRAMMOVSCWSZ-CQSZACIVSA-N 256.305 2.622 0 1 CFAF Nc1ccnc2[nH]c([C@H]3SCCc4sccc43)nc12 587036498 CVNVLVXOQFFBJL-NSHDSACASA-N 288.401 2.980 0 1 CFAF Cc1ccc(CCc2nc3cccc(C(=O)O)c3[nH]2)cc1N 587249408 ADXYGRRTUVSQLS-UHFFFAOYSA-N 295.342 2.937 0 1 CFAF O=C1CN=C(c2cccs2)c2cc(F)ccc2N1 13803730 KYAAEHKCLYGUJO-UHFFFAOYSA-N 260.293 2.677 0 1 CFAF CCn1c(C(C)C)cc2c3c(N)nc(N)nc3ccc21 5887720 NNNLFGJHIHGHAH-UHFFFAOYSA-N 269.352 2.892 0 1 CFAF C[C@H](Cn1ccnc1)c1ccc2c(c1)CCC(=O)N2 13449948 BDHBMGZTEQDMIY-LLVKDONJSA-N 255.321 2.572 0 1 CFAF COc1ccc2c3c1O[C@@H]1CC=C[C@@H]4[C@@H](C2)N(C)CC[C@]341 169693044 CYNZTGLNKBWNHM-GGKPKWOWSA-N 283.371 2.530 0 1 CFAF COc1cc(-c2ccccn2)cc2ccc(=O)[nH]c12 26493497 ZZTNBEPOOXKGBE-UHFFFAOYSA-N 252.273 2.599 0 1 CFAF Cc1cc(C)cc(N2CCN(Cc3nc[nH]c3C)C2=O)c1 18502 HLJSVGDJUCSCTA-UHFFFAOYSA-N 284.363 2.777 0 1 CFAF CC(=O)NCCc1cccc2ccc3c(c12)C[C@@H](C)O3 21089 NSYNGGKLAICNFM-LLVKDONJSA-N 269.344 2.842 0 1 CFAF Cn1cc(SCC(=O)N2CCCC2)c2ccccc21 425857 LRZQPOASUHUIAY-UHFFFAOYSA-N 274.389 2.893 0 1 CFAF C[C@H]1C[C@@H](C)CN(C(=O)Cn2cc3c(n2)CCCCC3)C1 6806897 QIRMDZKGHSCCNO-OKILXGFUSA-N 289.423 2.657 0 1 CFAF O=C1[C@@H]([C@H](O)c2cccnc2)CCCN1Cc1ccccc1 103295719 XFWFBYWUNNWOCC-IAGOWNOFSA-N 296.370 2.554 0 1 CFAF CN(C)c1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2 58591518 MFROUBCRTQOYBJ-UHFFFAOYSA-N 283.400 2.979 0 1 CFAF Cn1c(-c2ccccc2)nc2c(N3CCCC3)ncnc21 58603233 HBGPGSYFFWELLF-UHFFFAOYSA-N 279.347 2.631 0 1 CFAF Cc1[nH]nc2c1c(OCCCN)nc1ccc(Cl)cc12 28957028 UBCJKCQEWJYCTN-UHFFFAOYSA-N 290.754 2.801 0 1 CFAF COC(=O)[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1cccs1)CN32 100909206 ZLWKHMNSEAGVBX-SUKIROAGSA-N 289.400 2.787 0 1 CFAF CC(=O)O[C@@H]1C(=O)CCC2=C[C@H](O)C[C@H](C)[C@@]2(C)C=C1C 2356564260 WWORHCJQQVZJAT-WGHIXYSZSA-N 292.375 2.561 0 1 CFAF Cc1c(-c2ccccc2)nnn1-c1ccc(O)cc1 39375257 FBNCSVYGEFPMND-UHFFFAOYSA-N 251.289 2.948 0 1 CFAF O=C(c1ccc2nc(O)sc2c1)c1cc(O)ccc1O 42989359 LVQQMEQEFFAPSA-UHFFFAOYSA-N 287.296 2.644 0 1 CFAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C[C@@H](O)C2=O 40827790 WPOCIZJTELRQMF-FDPKGLCPSA-N 286.371 2.788 0 1 CFAF in-vitro O[C@H](/C=C/c1ccccn1)c1nc2ccccc2[nH]1 653732536 VNMVJTXVSXDNKP-MYSGNRETSA-N 251.289 2.705 0 1 CFAF Fc1cccc([C@H]2C[C@@H]2c2nc3cnncc3[nH]2)c1F 587152351 MCSYBDQBGKKKMB-BDAKNGLRSA-N 272.258 2.902 0 1 CFAF CC(C)[C@@H]1CCCc2nc3nc(O)nc(O)c3cc2C1 587560944 CYDKYQZRFRMGTL-SECBINFHSA-N 273.336 2.587 0 1 CFAF C=CC(=O)Nc1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1 587244728 SKYFRMNIXASITO-UHFFFAOYSA-N 299.721 2.749 0 1 CFAF N=c1[nH][nH]cc1-c1cccc(-c2cccc(N)c2)c1 584904926 XJQYSQDWCYFLKB-UHFFFAOYSA-N 250.305 2.738 0 1 CFAF in-vitro CCCc1c(O)ccc2c1O[C@](C)(CN(C)C)CC2=O 587469762 PFYOLODNCSJGSR-INIZCTEOSA-N 277.364 2.630 0 1 CFAF CC1(C)OC(=O)C[C@@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 586910859 QCVIYFPXKVZRRP-ZCFIWIBFSA-N 299.252 2.786 0 1 CFAF CCCC(=O)O[C@@H](Cn1ccnc1)c1ccccc1 1772606649 XAFXLTFVYVBUOU-AWEZNQCLSA-N 258.321 2.968 0 1 CFAF c1ccc(C2=Nc3nnnn3[C@@H](c3cccs3)C2)cc1 13123908 JPMRBHCICDBWQW-GFCCVEGCSA-N 281.344 2.849 0 1 CFAF CCN(O)CCc1ccc2c(c1)[C@@H](O)c1ccccc1CO2 13745490 QNRAPMXIYHOMOY-SFHVURJKSA-N 299.370 2.914 0 1 CFAF CCCN1CCC=C2c3nc(N)sc3CCC[C@H]21 13824132 HSUZBKBGBYUPDC-LLVKDONJSA-N 263.410 2.929 0 1 CFAF Cc1ccc2c(c1)NC(=O)CN=C2c1ccccc1F 13651919 FGBKSXIDKFFXPY-UHFFFAOYSA-N 268.291 2.924 0 1 CFAF CNC(=O)[C@@H]1CCc2cccc3c4c(n1c23)CCCC4 28101853 RUJGZBNRTYJQJC-HNNXBMFYSA-N 268.360 2.753 0 1 CFAF CSc1cccc(N2C(=O)[C@@H]3CCCN3C2=S)c1 217532 URDBJXICMWGWIX-NSHDSACASA-N 278.402 2.504 0 3 CFAF F[C@H]1CN(CC2CC2)C[C@@H]1OCc1nc2ccccc2[nH]1 2356300390 VGMHICYSTATLAY-WFASDCNBSA-N 289.354 2.512 0 1 CFAF CC(=O)O[C@H]1C[C@H]2C[C@H](C3CCCCC3)O[C@H]2O1 103293544 VURDWAJYJLFVEF-SYQHCUMBSA-N 254.326 2.607 0 1 CFAF Cc1cccc(C[S@](=O)c2nc3ccccc3[nH]2)c1N 28230104 XXVHQNGLTWMBRT-HXUWFJFHSA-N 285.372 2.761 0 1 CFAF CCCCCC[C@@H]([C@H](C)O)n1cnc2c(N)nccc21 28220268 DAWSASDELFSMFB-RYUDHWBXSA-N 276.384 2.906 0 1 CFAF c1ccc(CC[C@]2(C3=NCCN3)Cc3ccccc3O2)cc1 27650297 ISDRDKXMEQILFL-LJQANCHMSA-N 292.382 2.995 0 1 CFAF CCCc1cc(Cc2cnc(N)nc2N)cc2c1O[C@@H](C)C2 29567725 DCRSGBFAFLZIKI-JTQLQIEISA-N 298.390 2.508 0 1 CFAF O=C(c1ccccc1)c1nc2ccccc2n2cnnc12 64539892 HNOUZFKINZLJHW-UHFFFAOYSA-N 274.283 2.509 0 1 CFAF CC[C@H](C)N1CCC(NC(=O)c2cc(C)ccc2O)CC1 29398450 NFYMPMXPAJPCPO-ZDUSSCGKSA-N 290.407 2.693 0 1 CFAF CC1=C[C@H](O)C[C@@H](C)C(=O)C[C@@H](C(C)C)C(=O)C1 2356684717 WLHCFOUGUVMPPJ-AGIUHOORSA-N 252.354 2.524 0 1 CFAF Cn1c(C(=O)Nc2ccncc2)cc2sccc21 40805802 CHUAHUCOMQBHPL-UHFFFAOYSA-N 257.318 2.887 0 1 CFAF CCOc1cccc(-c2cc(NCCCOC)ncn2)c1 82161596 UIJBYHPPHSYWMT-UHFFFAOYSA-N 287.363 2.991 0 1 CFAF O=C(O)COc1ccccc1C(=O)CCc1ccccc1 40584972 KTDKBMQCOYAVPV-UHFFFAOYSA-N 284.311 2.966 0 1 CFAF COC(=O)C/C=C1/c2ccc(OC)cc2[C@H](OC)[C@H]1C 195393415 LEYPXOBPYVCVHC-BVOLGLKUSA-N 276.332 2.979 0 1 CFAF Nc1cc(F)c(-c2nc3ccc(Cl)nc3[nH]2)cc1N 587136166 KXWHZBNGIGMNKC-UHFFFAOYSA-N 277.690 2.582 0 1 CFAF Oc1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 587025479 MWVGQWQUPOCTRY-UHFFFAOYSA-N 296.402 2.701 0 1 CFAF Cc1c(F)cc(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1F 587132888 KNYROYXUJKAAMG-UHFFFAOYSA-N 287.269 2.915 0 1 CFAF Cc1cnc2[nH]c(/C=C\C(=O)Nc3ccccc3)nc2c1 587244535 OSUVQJNVKJCXOJ-FPLPWBNLSA-N 278.315 2.918 0 1 CFAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ncc[nH]c-2n1 587930079 CLVVXHXXGSBTAJ-BDJLRTHQSA-N 280.331 2.758 0 1 CFAF C[C@]1([C@@H]2CO2)CC(=O)c2ccc3c(c2O1)CCCC3 587536491 URUNVXFNRKIMAN-GOEBONIOSA-N 258.317 2.688 0 1 CFAF Cn1cccc1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874432 AGQYBNSCOOKCDE-UHFFFAOYSA-N 283.262 2.822 0 1 CFAF CCOC(=O)c1cncn1[C@H](C)c1ccc(F)cc1 13282254 PTPSMJOSZBOCNF-SNVBAGLBSA-N 262.284 2.808 0 1 CFAF OC[C@H]1O[C@H](c2ccc(O)cc2)C=C1c1ccc(O)cc1 13411598 JTAOIOJXOYUGRH-DLBZAZTESA-N 284.311 2.614 0 1 CFAF CC(C)(C)CC(C)(C)NC(=O)C(=O)c1cccnc1 206051417 IIKNEHKIUIRKEY-UHFFFAOYSA-N 262.353 2.595 0 3 CFAF CCOC(=O)[C@@H]1C(=O)C[C@H](C(C)(C)C)N[C@@H]1C(C)(C)C 169307032 WDULTXCKYVVYNM-UPJWGTAASA-N 283.412 2.558 0 1 CFAF CCCCOc1cc(C)c(N(C)C(=O)[C@@H](C)N)c(C)c1 169315382 FELXIDACOWWPFP-CYBMUJFWSA-N 278.396 2.792 0 1 CFAF CCN(CC)[C@H](C)Cc1ccc(OC)c(OC)c1 169322881 KQMOMMCXFSQQHC-GFCCVEGCSA-N 251.370 2.977 0 1 CFAF CC(=O)Nc1cc(-c2ccccc2F)cn2c(C)nnc12 1857566118 NXBLOLZDVZTKCA-UHFFFAOYSA-N 284.294 2.802 0 1 CFAF Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)c1 6787565 OVHYQYHJQLHVFR-YCPHGPKFSA-N 299.370 2.997 0 1 CFAF CCO/C(O)=C/C1=NC(C)(C)Cc2cc(OC)c(O)cc21 101504386 YMPLREOEWZFEDM-OVCLIPMQSA-N 291.347 2.961 0 1 CFAF COc1ccc2c(c1)C(=O)[C@@H]1C=C([N+]#N)C=C[C@@H]1N2 27436450 QBYHNPKUGOWAMX-PWSUYJOCSA-O 254.269 2.595 0 1 CFAF COc1c([C@@H](O)c2ccccc2)c(=O)oc2ccccc12 26480578 DXQZQCLHYLYJQU-HNNXBMFYSA-N 282.295 2.883 0 1 CFAF C[C@H](CO)[C@H]1OC(C)(C)OC[C@@]1(C)OCc1ccccc1 2356654049 VPUMLCSEKGWYIX-FRFSOERESA-N 294.391 2.742 0 1 CFAF CC[C@H](C)[C@H](O)[C@@H]1OC(=O)c2c(O)c(C)cc(C)c21 2356737633 LQLDCUDXLOCUIK-HNWMMTHTSA-N 264.321 2.628 0 1 CFAF COc1ccc([C@H](C)C(=O)c2ccc(O)cc2O)cc1O 31160407 WTIDVYCGROARDC-VIFPVBQESA-N 288.299 2.798 0 1 CFAF C/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCNCC1 1911583265 RRJQCPJNFDPJGT-KORIGIIASA-N 256.393 2.820 0 1 CFAF CCc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2C)nc1 149981727 VIKWBIJBVHOVKC-INIZCTEOSA-N 298.390 2.752 0 1 CFAF Cc1cccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)c1 141769601 HLDZTPNEVSSEBN-MRVWCRGKSA-N 255.317 2.697 0 1 CFAF COc1ccc(-n2cc(C(=O)O)c(=O)c3ccccc32)cc1 96906826 PRNRJTMPDQNRPK-UHFFFAOYSA-N 295.294 2.698 0 1 CFAF C[C@@H]1CCC[C@@H](n2cnc(C[C@H](CCCN)C(=O)O)c2)C1 261165387 RUGXMJXNVBQNEE-VNHYZAJKSA-N 293.411 2.617 0 1 CFAF O=C1Cc2ccc(-c3cccc(Cl)c3)cc2C(=O)N1 653709167 UPJMSNNSKZRBNH-UHFFFAOYSA-N 271.703 2.820 0 1 CFAF CC[C@@H](C)c1ccc2[nH]c(CN)c(CC(=O)O)c2c1 587643149 RHMAYZZYZFQENL-SECBINFHSA-N 260.337 2.767 0 1 CFAF Nc1cc(-c2nc3ccc(F)cc3[nH]2)ccc1CC(=O)O 587249302 GBFLSCDUQOGVEE-UHFFFAOYSA-N 285.278 2.578 0 1 CFAF NCc1cccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 587246432 JSJBHDQHSBMFGK-UHFFFAOYSA-N 292.342 2.573 0 1 CFAF Oc1nncc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c12 587966484 IAUSAQAABWHBKQ-UHFFFAOYSA-N 282.347 2.898 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](C1=COCC1)CC2=O 587484862 IMGCFKXTFOZTJQ-HNNXBMFYSA-N 274.316 2.983 0 1 CFAF COC(=O)CCc1cc2ccoc2c(OC)c1OC 13481412 BUXWKMDYYFPZLW-UHFFFAOYSA-N 264.277 2.556 0 1 CFAF CCCCCNC1=NCCN1OCc1ccccc1OC 13539075 DPFWHSUDGRFVHN-UHFFFAOYSA-N 291.395 2.578 0 1 CFAF CC(=O)CCC[C@]1(C)CC[C@@H](C(C)(C)O)CC1=O 14508799 IQKFJIADNDSMNL-IUODEOHRSA-N 254.370 2.892 0 1 CFAF CC1=C[C@@H](C)[C@]2(CO)CO[C@@H](c3cccnc3)[C@@H]1[C@@H]2C 169294265 ZIVNUWICSJWDPM-ZAZJUGBXSA-N 273.376 2.980 0 1 CFAF Cc1ccc([C@@H]2N(c3cc(C)on3)C(=O)[C@@H]3CCCN32)cc1 169355728 KKRZRZAJAVDEEL-HOCLYGCPSA-N 297.358 2.801 0 3 CFAF CC1(C)CCC[C@H]2[C@@H]1CC=C(CO)[C@@H]2CC(=O)O 2356329346 BQGCOWVVISEYKL-AGIUHOORSA-N 252.354 2.842 0 1 CFAF CCc1ccc2oc(=O)n(Cc3cccc(O)c3)c2c1 64235660 VMQCFKBLAZHLQM-UHFFFAOYSA-N 269.300 2.911 0 1 CFAF Nc1nc(N)c2c(OCc3ccccc3F)cccc2n1 28971257 SFJOSBAEWKPKPY-UHFFFAOYSA-N 284.294 2.512 0 1 CFAF in-vivo O=c1c2c3c(sc2nc2sc(S)nn12)CCCC3 28814877 YWBJQXQPBJGHBG-UHFFFAOYSA-N 295.414 2.533 0 1 CFAF O=c1oc(C(F)(F)C(F)(F)F)nc2ccccc12 27547276 WXMMQUGZWDEFLD-UHFFFAOYSA-N 265.137 2.842 0 1 CFAF C[C@H](C(=O)O)[C@@H]1CC[C@@H]2[C@H]3CCC(=O)NC3=CC[C@@]12C 2356438775 RXYKCVVRCSCETH-OYLDRBDASA-N 277.364 2.553 0 1 CFAF Cc1[nH]c(=O)c(C)c2c1C[C@H](c1ccncc1)CC2 27183728 DDHBPXMMYNGXTK-CYBMUJFWSA-N 254.333 2.659 0 1 CFAF COc1cc2c(c(C(=O)O)c1)-c1nc(C)ccc1CO2 2356789158 CYRPVVBDNZXRMF-UHFFFAOYSA-N 271.272 2.656 0 1 CFAF O=C(Oc1ccc(Cl)c(F)c1)N1CCN2CCC1CC2 42920582 HKCDBLXAWUUUQZ-UHFFFAOYSA-N 298.745 2.758 0 1 CFAF O=C(CCc1nnnn1-c1ccccc1)C1CCCCC1 49047790 DQNZXTDCALSTCJ-UHFFFAOYSA-N 284.363 2.744 0 1 CFAF Cn1cc(C(=O)C(=O)Nc2ccc(O)cc2)c2ccccc21 45254948 SVAXCPLAEGNJNS-UHFFFAOYSA-N 294.310 2.705 0 1 CFAF CC1=C[C@@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C\C(=O)O 238736763 IGUWZNQUMTWGPH-SNROVVRASA-N 250.338 2.927 0 1 CFAF COc1ccccc1[C@H]1N(C)Cc2cc(O)ccc2N1C 653722918 VXFFOWOMDLBPGS-KRWDZBQOSA-N 284.359 2.981 0 1 CFAF COc1cc(OC)c2[nH]c(COC(F)(F)F)nc2c1 587124568 MTVSRCFXJUCHIW-UHFFFAOYSA-N 276.214 2.617 0 1 CFAF CC(C)[C@@](C)(O)c1nc2cc(C(F)(F)F)ncc2[nH]1 586886298 FOGLTUMZJWBNTM-LLVKDONJSA-N 273.258 2.840 0 1 CFAF COc1ccc2c(c1)OC(=O)[C@H](c1ccccc1)C2=O 957820238 OVEJOKMGOPQLMB-CQSZACIVSA-N 268.268 2.581 0 1 CFAF CCCCn1c(=O)c2c(c3cc(C(N)=O)ccc31)CCCC2 1772623983 JNKLWIGXVPLHRG-UHFFFAOYSA-N 298.386 2.779 0 1 CFAF COc1ccc(-c2cc3cccc(O)c3oc2=O)cc1O 13340696 ULFQCDBRMDAULT-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF COc1ccc2ccc3c(c2c1)[C@@H](CNC(N)=O)CC3 1857649266 AIOFAAQPUFNQBS-GFCCVEGCSA-N 270.332 2.547 0 1 CFAF O=C(O)Cc1ccc2c(c1)COc1ccccc1O2 29221898 UCLQILVHNXYKJH-UHFFFAOYSA-N 256.257 2.998 0 1 CFAF in-vivo COc1cccc(/C=C/C(=O)NC[C@@H](O)c2ccccc2)c1 38355299 RPPXPVGZUULIFA-SXSDINLZSA-N 297.354 2.558 0 1 CFAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1Cc1ccccc1Cl 3913078 LBZANRCTSJSVDI-DJBIQUGXSA-N 287.746 2.647 0 1 CFAF C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)C1CCCCC1 100081527 KBRJIBFRLFVYJL-LLVKDONJSA-N 299.374 2.802 0 1 CFAF Oc1c2nc3ccccc3c-2ncn1Cc1cccnc1 101932863 XLWKTWWEHUADEU-UHFFFAOYSA-N 276.299 2.685 0 1 CFAF CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)c1cc3ccccc3[nH]1)C2 103234863 QTFIZODIXAOVBD-BTTYYORXSA-N 284.359 2.950 0 1 CFAF C[C@@H](Nc1c(Nc2ccccc2)c(=O)c1=O)C(C)(C)C 101595961 PBZCGYPOKVOUJC-SNVBAGLBSA-N 272.348 2.873 0 1 CFAF C[C@@]12CC[C@@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]43C)[C@@H]1CC[C@@H]2O 26395627 DOFRSNSWULWZJS-RYWJLFRNSA-N 289.419 2.645 0 1 CFAF N[C@@H]1Cc2c3n(c4ccccc24)C(=O)C[C@H]2CC[C@@H]1[C@@H]32 27896603 HOOKQYWFWIFVCQ-NGMYAQNXSA-N 266.344 2.678 0 1 CFAF CC1=C[C@H](CO)[C@H](C(C)C)C[C@@H]1Cc1nnc(C)o1 2356320814 ORKBQXNJEYEYHX-MCIONIFRSA-N 264.369 2.767 0 1 CFAF CO[C@@H]1O[C@H]2C[C@H]1C(CO)=C1CC(C)(C)C[C@H]1[C@@H]2C 2356584958 YICABYFSQXURPV-UQXKVLDMSA-N 266.381 2.739 0 1 CFAF COc1c(O)cc(C(=O)O)cc1Oc1cc(C)cc(O)c1 2356699245 KXJIQDCYWQICBZ-UHFFFAOYSA-N 290.271 2.905 0 1 CFAF CC[C@@H](CO)Nc1ccn2nc(-c3ccccc3)cc2n1 61896819 VGEQANBNXCGMQB-ZDUSSCGKSA-N 282.347 2.579 0 3 CFAF O=C(O)c1cccc(OCc2ccc(F)cc2)c1O 72106528 FPADDXOYROHZDX-UHFFFAOYSA-N 262.236 2.809 0 1 CFAF COCc1cccc(-c2ccc3c(c2)COCC(=O)N3C)c1 74375764 YEXSJWROWOFIEQ-UHFFFAOYSA-N 297.354 2.993 0 3 CFAF CC(C)CNC(=S)N1C[C@@H](C)C(c2ccccc2)=N1 40872481 HXYZJXSFPHSHAK-GFCCVEGCSA-N 275.421 2.873 0 1 CFAF CCCNC(=O)Oc1cccc(-c2nc3ncncc3o2)c1 45262020 YTTFEZYAHNDKIC-UHFFFAOYSA-N 298.302 2.783 0 1 CFAF COc1cc2c(cc1O)CCN(C)[C@H]2Cc1ccc(O)cc1 142316213 HTSOYRHMEMWMRT-INIZCTEOSA-N 299.370 2.878 0 1 CFAF CCS(=O)(=O)c1ccc2nc(C3CCC3)[nH]c2c1 586885102 XBNKIVRHVSGJBO-UHFFFAOYSA-N 264.350 2.624 0 1 CFAF Nc1cccc(C(=O)O)c1-c1nc2cc(F)c(F)cc2[nH]1 587248518 RRWHTSSGQDNGRM-UHFFFAOYSA-N 289.241 2.789 0 1 CFAF NC(=O)c1cccc2nc(/C=C\c3ccsc3)[nH]c12 587025430 KUYSHPGGFRWBPO-PLNGDYQASA-N 269.329 2.894 0 1 CFAF Nc1cc(-c2nc3cc4cn[nH]c4cc3[nH]2)ccc1F 587140406 KBFVEYQAWTYMME-UHFFFAOYSA-N 267.267 2.828 0 1 CFAF COc1cc2c3c(c1)O[C@@H](CCc1ccncc1)[C@@H](C2)C3=O 587436339 OCDGQDUODBCWOW-CABCVRRESA-N 295.338 2.839 0 1 CFAF CC(C)(C)c1ccc2nc(CC3CC(N)C3)[nH]c2n1 587255173 GXOCISAFHNAELY-UHFFFAOYSA-N 258.369 2.535 0 1 CFAF CCN1c2ncccc2NC(=O)c2cc(C)cnc21 5842425 CRZMHAWMAAZBBW-UHFFFAOYSA-N 254.293 2.509 0 1 CFAF C[C@@H]1C(=O)CC[C@]2(C)CC[C@H]3[C@@H](C)C(=O)O[C@H]3[C@@H]12 13143013 BXRGGUXPWTWACZ-RDRQHUDQSA-N 250.338 2.579 0 1 CFAF endogenous,in-man CNC(=O)C[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 13579477 YUZKXUICGATZSE-GXTWGEPZSA-N 280.799 2.511 0 1 CFAF CNc1cc(-c2nc(-c3cnccc3C)no2)ccn1 19148840 GATBQGHBKHUFNO-UHFFFAOYSA-N 267.292 2.544 0 1 CFAF C[C@H]1C[C@@H](OC(=O)[C@H](O)c2ccccc2)CC(C)(C)N1C 402890 QSAVEGSLJISCDF-NWANDNLSSA-N 291.391 2.525 0 3 CFAF in-man Cc1ccc(NC(=O)CC23CCCN2CCC3)cc1 27747491 YYJPZXIGYUZYAT-UHFFFAOYSA-N 258.365 2.952 0 1 CFAF Oc1ccc(O)c(-c2ccc(-c3nnc(S)o3)o2)c1 43074529 RPEANWIHVIJKCB-UHFFFAOYSA-N 276.273 2.697 0 1 CFAF c1coc(-c2nc3nc[nH]c3cc2-c2ccncn2)c1 49033736 NDRMSISLKTZBKD-UHFFFAOYSA-N 263.260 2.675 0 1 CFAF COC(=O)N1CC[C@@H]2Nc3cc(C)c(OC)c(C)c3[C@@H]2C1 40564691 IZJMWHOBELHZKU-NEPJUHHUSA-N 290.363 2.662 0 1 CFAF C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1OCC2=O 40475220 FANDDLFIYCQQPS-OHFALNGGSA-N 272.344 2.806 0 1 CFAF NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1N 40566059 PFFVLVCIEPYEFP-UHFFFAOYSA-N 299.808 2.770 0 1 CFAF COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1cc3ccccc3[nH]1)O2 84615962 KOKBPPDCKPRXAM-AVRGHOLYSA-N 285.343 2.992 0 1 CFAF COc1cn(C(=O)c2ccc(O)cc2)c2cccc(O)c12 141091898 DZMMTSZAYZRIIY-UHFFFAOYSA-N 283.283 2.750 0 1 CFAF CNC(=O)OCC[C@@H](CCCc1ccccc1)N(C)C 473082967 ALBLPWJXHPQGKN-OAHLLOKOSA-N 278.396 2.686 0 1 CFAF CCO[C@H](C)c1nc(C)c(-c2nc3cnncc3[nH]2)s1 587013882 CYUSHHKQHBZWMT-MRVPVSSYSA-N 289.364 2.882 0 1 CFAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=N)O 587863409 ZROMPSRVXORSCL-UHFFFAOYSA-N 285.225 2.918 0 1 CFAF C[C@@H](F)[C@H](N)c1nc2cc(Cl)nc(Cl)c2[nH]1 587122880 GXELYZKCVGUTKO-CVYQJGLWSA-N 263.103 2.623 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(O)ccc1N)O2 587392466 ZSGGSOVHIPNJLA-QGZVFWFLSA-N 298.342 2.746 0 1 CFAF CC(C)N1CCC([C@@H]2NCCc3nc4ccccn4c32)CC1 962983340 LBVBSRULOTYUBW-KRWDZBQOSA-N 298.434 2.642 0 1 CFAF NC[C@@H]1C[C@@H]2c3ccccc3Cc3ccccc3N2O1 13436905 YRZFLXOYFQEHFH-WMLDXEAASA-N 266.344 2.801 0 1 CFAF CCCCC[C@H](O)[C@H](O)/C=C/c1cccc(O)c1C=O 14594796 AZOKWZGGQMSBFD-DMGQIGSTSA-N 278.348 2.520 0 1 CFAF C/C=C(\C)C(=O)N[C@@H]1CCCN1C(=O)/C=C/c1ccccc1 14617010 JESGIROWPOPQQV-MFHXFDOCSA-N 298.386 2.731 0 1 CFAF biogenic,in-vitro O[C@H](Cn1ccnc1)CC12CC3CC(CC(C3)C1)C2 1857599739 SBZBWOFKXKAGSH-DQGBIZLVSA-N 260.381 2.851 0 1 CFAF COc1cc(CCc2ccccc2)ccc1CCN 13864183 PNULIBLTDOZETC-UHFFFAOYSA-N 255.361 2.982 0 1 CFAF c1cncc(CNc2ncncc2-c2ccoc2)c1 4258432 UYNFBWJVKAADQH-UHFFFAOYSA-N 252.277 2.744 0 1 CFAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1cccs1 100854097 ZLWKHMNSEAGVBX-FHHTWYQTSA-N 289.400 2.787 0 1 CFAF CCSc1ccc(OC)c2c1C[C@H]1OCCN(C)[C@H]1C2 27550086 KODMAJGLVWLRBI-DZGCQCFKSA-N 293.432 2.605 0 1 CFAF COc1ccc([C@H](c2ccccc2)P(=O)(O)O)cc1 26839754 OBVZOSNJEONCQO-AWEZNQCLSA-N 278.244 2.962 0 1 CFAF CC(C)(C)[C@H](O)[C@@H](CCc1ccccc1)n1cncn1 27429439 FUEUANSVRKTDPM-HUUCEWRRSA-N 273.380 2.859 0 1 CFAF CO[C@@H]1O[C@@]23C=CC[C@H](C)[C@]2(C)[C@@H](C(=O)CC3)[C@@H]1C 2356751438 FVTXNULUHYXYOE-MTBPCUBESA-N 264.365 2.945 0 1 CFAF COc1cc2c(cc1C)[C@H](C(C)C)C[C@H](O)[C@@]2(C)O 2356752227 SEGVFKZPKBQZRQ-UVBJJODRSA-N 264.365 2.715 0 1 CFAF COC(=O)[C@@]12Cc3occc3C(=O)[C@]1(C)CC[C@H]2C 71296209 HKOZPZRWAYCCLH-NKZPBKNFSA-N 262.305 2.614 0 1 CFAF CC1(C)NC(=O)[C@@H]1NC(=O)OCCCCC1CCCCC1 219366409 CAVMMUQNBLJJFM-ZDUSSCGKSA-N 296.411 2.740 0 1 CFAF O=c1c2ncc3ccccc3c2[nH]n1-c1ccccc1 135735247 GABWUAZCRKDWNX-UHFFFAOYSA-N 261.284 2.867 0 1 CFAF C/C1=C\CC(=O)[C@H](C)CC[C@@H]2[C@H](C1)OC(=O)[C@H]2C 238752492 PQRMUWWEXAQGMS-MKVMKECJSA-N 250.338 2.890 0 1 CFAF COc1ccc([C@H]2CC(=O)N(C)C2)cc1OC1CCCC1 95577367 CFODIQZSRVSRRB-ZDUSSCGKSA-N 289.375 2.962 0 1 CFAF Nc1ccc(Nc2cccc(Cl)c2)c2c(=O)[nH]cnc12 96937614 AKRBRGUKZYEZQE-UHFFFAOYSA-N 286.722 2.902 0 1 CFAF C/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2CC/C(CO)=C/CC1 238752834 HFQLMAXPTJTMQQ-BOSKEESHSA-N 250.338 2.603 0 1 CFAF CO[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](O)[C@H](C)[C@@]12C 238773841 IFAGLCHIPRNJAM-SQXIKUFJSA-N 278.348 2.885 0 1 CFAF Oc1ncnc2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3F)nc12 587151345 HIPHINDADNSAHB-HTQZYQBOSA-N 288.257 2.608 0 1 CFAF N[C@H](c1ccsc1)c1nc2ccnc(Cl)c2[nH]1 587026066 UHAIKKGXHZQMBD-MRVPVSSYSA-N 264.741 2.721 0 1 CFAF CC1=C(c2ccc3nc(C4=CCCC4)[nH]c3c2)NNC(=O)C1 586885020 SVXBRFYGRHVUIF-UHFFFAOYSA-N 294.358 2.886 0 1 CFAF Cc1cc2nc(/C=C/S(C)(=O)=O)[nH]c2cc1Cl 586923853 YOJNPDNKHDFHSN-ONEGZZNKSA-N 270.741 2.540 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](c1ncccn1)CC2=O 587486530 CGCJBUHSXZJMSE-AWEZNQCLSA-N 284.315 2.841 0 1 CFAF CC[C@@H]1CCC(=O)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587446161 AHBBVNKCDOMHQC-ILMHXZGMSA-N 286.327 2.571 0 1 CFAF CCCCCCc1nc2nc(O)nc(O)c2cc1C 587560368 ATSBXOHAGZPFID-UHFFFAOYSA-N 261.325 2.867 0 1 CFAF Cc1ccc(-n2ncc3ccc(Cl)cc3c2=O)cn1 587653239 UDKPTJVYUYSGDB-UHFFFAOYSA-N 271.707 2.743 0 1 CFAF COc1cccc([C@H](C)Cc2nc3cncnc3[nH]2)c1 587932313 SHWMKUJWLRTZOJ-SNVBAGLBSA-N 268.320 2.708 0 1 CFAF C=C1NN(c2cccc(C(=O)O)c2)C(=O)c2ccccc21 957741161 YJUCVSCBRLAWLG-UHFFFAOYSA-N 280.283 2.521 0 1 CFAF O[C@@H]1C=C[C@@]2(C1)c1ccsc1CCN2Cc1cccnc1 962997903 MVDPGNSBPKPQSL-RHSMWYFYSA-N 298.411 2.718 0 1 CFAF c1ccc(-c2ccsc2)c(OCC2=NCCN2)c1 13437835 IVWFVGKPGDSCOS-UHFFFAOYSA-N 258.346 2.796 0 1 CFAF Fc1ccc(-c2noc(CCCc3cn[nH]c3)n2)cc1 19842157 UNBMUXZTQLDJOZ-UHFFFAOYSA-N 272.283 2.774 0 1 CFAF C[C@@H]1Cc2nc(S)nc(O)c2[C@@H](c2ccc(F)cc2)O1 169303241 VRLWNVRYZPMCNG-JMCQJSRRSA-N 292.335 2.661 0 3 CFAF COc1ccc(C[C@@H](C)N(C)C(C)C)cc1OC 169322891 MGYFVTPITMHKSW-GFCCVEGCSA-N 251.370 2.975 0 1 CFAF Cc1ccc([C@H]2CCC[C@H]2NS(=O)(=O)C(C)C)cc1 13473532 BIEDOYNLBIISIW-HUUCEWRRSA-N 281.421 2.959 0 1 CFAF O=C(Nc1ccccn1)C1(c2cccs2)CCOCC1 4273114 NCRDMLIGAPJWAS-UHFFFAOYSA-N 288.372 2.830 0 3 CFAF OCc1cccc(-c2csc([C@@H](O)c3ccco3)n2)c1 61902342 SVMHTNATKUIASA-AWEZNQCLSA-N 287.340 2.977 0 3 CFAF CCn1cc(CCN(C)C)c2c(O)cc(F)cc21 68247134 HMLQKPRWUNGJSB-UHFFFAOYSA-N 250.317 2.610 0 1 CFAF in-vivo Cc1cccc(CN(C2CCOCC2)[C@H]2CCNC2)c1C 28948809 BGSBHLAICAANSC-SFHVURJKSA-N 288.435 2.646 0 1 CFAF CCc1nnc2c(NC(C)C)nc3cc(F)c(F)cc3n12 26379225 ADWNEKQETWWCTH-UHFFFAOYSA-N 291.305 2.938 0 1 CFAF CO[C@H]1c2cc(Cl)ccc2OC[C@@H]1n1ccnc1 27327124 WAODWMRDSOILLQ-AAEUAGOBSA-N 264.712 2.858 0 1 CFAF CC[C@H](CC[C@H]1COC(N)=N1)c1ccc(F)cc1 117255035 UWVZNHQHRYQQLM-MFKMUULPSA-N 250.317 2.813 0 1 CFAF C[C@@H]1[C@@H]2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2CC1CC1 29411250 FAVQVALXVLMHLE-LWLIDHTLSA-N 298.430 2.720 0 1 CFAF Cc1cc(Nc2ccc(Cl)c(F)c2)n2ncnc2n1 71282128 YBNMLGHHBLPENZ-UHFFFAOYSA-N 277.690 2.969 0 1 CFAF COc1cc(/C=C/COC(C)=O)ccc1OC(=O)C(C)C 38880082 OTZYSHCTFLTWNP-AATRIKPKSA-N 292.331 2.833 0 1 CFAF CC(=O)Nc1sc2c(c1-c1ccco1)CCNC2 36382654 DXEDSNLKRSPJOE-UHFFFAOYSA-N 262.334 2.612 0 1 CFAF CNC(=O)c1ccc2cc([C@@H]3CCn4cncc43)ccc2c1 73386134 KVDGTWKQXMEUBX-INIZCTEOSA-N 291.354 2.932 0 1 CFAF COCCCNc1cc(-c2cccc(C(C)=O)c2)ncn1 82161476 GYEZCHIREWBWMT-UHFFFAOYSA-N 285.347 2.795 0 1 CFAF Fc1ccccc1-c1cc(NC[C@@H]2CCCO2)ncn1 82162148 REZHBMTZBROVDK-NSHDSACASA-N 273.311 2.874 0 1 CFAF CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)/C=C/c1ccccc1)C2 238774456 WTIWQHQPUWFUPX-RYHPKKAQSA-N 271.360 2.868 0 1 CFAF O=C1N[C@@H]2CCCC[C@@H]2[C@H](c2ccccc2)[C@H]1n1ccnc1 618016530 WIRBMZKFZWCBIC-VVLHAWIVSA-N 295.386 2.897 0 1 CFAF O=Cc1cccc2nc3c(nc12)-c1ccccc1C3=O 653699958 YJLLGIRNSMPCMT-UHFFFAOYSA-N 260.252 2.654 0 1 CFAF Cc1c(NC(N)=O)cccc1-c1nc2c(C)nccc2[nH]1 587241057 YDWYRTRLAPWQDC-UHFFFAOYSA-N 281.319 2.732 0 1 CFAF N=c1[nH]ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 587151981 JIMKCRWKXCQAIG-BDAKNGLRSA-N 286.285 2.920 0 1 CFAF Cc1cc(Cl)cc2[nH]c(-c3ncc(N)cn3)nc12 587252216 AQIMAVJLKLUPJE-UHFFFAOYSA-N 259.700 2.564 0 1 CFAF COc1cccnc1[C@@]1(C)NCCc2cc(C)c(F)cc21 962375475 NOKPTSSGIBAZGJ-KRWDZBQOSA-N 286.350 2.947 0 1 CFAF CC(C)(C)OC(=O)NC[C@H](O)/C=C/c1ccccc1 33979680 MEOSIMPINRVPEQ-WTNCMQEWSA-N 263.337 2.585 0 1 CFAF Cc1cccc2c(=O)[nH]c(-c3ccc(O)cc3)nc12 13782478 NIPIEXNSQBQPML-UHFFFAOYSA-N 252.273 2.604 0 1 CFAF in-vivo c1cncc(-c2nnc3n2N=C(c2cccs2)CS3)c1 3911160 JYNACUMZPKWVPV-UHFFFAOYSA-N 299.384 2.760 0 3 CFAF COC(=O)C[C@@H]1c2ccccc2C=C(C)N1C(=O)OC 8682187 YZMAWEADVYQVQN-CYBMUJFWSA-N 275.304 2.734 0 1 CFAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1C(C)C 100018954 XHSJKHIETGLBSP-IMTQZCPYSA-N 267.325 2.596 0 1 CFAF CCc1ccc(-c2nc3ccccc3n2CC(=O)OC)nc1 27857693 PABHJBBNVMFASL-UHFFFAOYSA-N 295.342 2.834 0 1 CFAF CC(C)=CCOc1ccc(O)c2c1C[C@H](C)OC2=O 2356741942 FHCVCEAFQVPPIN-JTQLQIEISA-N 262.305 2.839 0 1 CFAF O=C(O)[C@H]1C(c2ccccc2)=CC=C2CCCCN21 2356872089 YOTIHUYSGLMDLO-OAHLLOKOSA-N 255.317 2.907 0 1 CFAF NC1=N[C@@H](c2ccc(F)cc2)Cc2ccc(F)cc21 25976288 BPKYXHOIZZBKMI-CQSZACIVSA-N 258.271 2.968 0 1 CFAF O=C(O)c1cnc(-c2cccc3c2CCNC3)c(Cl)c1 71404162 CRJRVKWFCXYWON-UHFFFAOYSA-N 288.734 2.746 0 1 CFAF NCCc1c[nH]c2ccc(OCCc3ccc(O)cc3)cc12 49114163 FVMIAPQLQLJTFD-UHFFFAOYSA-N 296.370 2.996 0 1 CFAF CCOCC(=O)N1CCC(CSCc2ccco2)CC1 85472387 QZVCSVIHOMEVNX-UHFFFAOYSA-N 297.420 2.788 0 1 CFAF CC(=O)CCC1=CC[C@H]2[C@H](C[C@@H]1C)OC(=O)[C@@H]2C 238749156 KVWUOMNJFDNWQM-FRJFDASCSA-N 250.338 2.890 0 1 CFAF CN(C)[C@H](C(=O)N1Cc2ccccc2C1)c1ccccc1F 91646159 VPIMGTJNWYETFD-KRWDZBQOSA-N 298.361 2.971 0 1 CFAF CC(C)[C@H](O)[C@@H](O)C[C@H](C)CCC(=O)c1ccoc1 256069559 PRLJTIPWGNRUNG-UGFHNGPFSA-N 268.353 2.647 0 1 CFAF endogenous,in-man CC1=C[C@H](CC2=CC(=O)O[C@H]2O)[C@H](C(C)C)CC1 253668364 XSUQCIIWOCZPHC-OSAQELSMSA-N 250.338 2.807 0 1 CFAF NC(=O)[C@@H]1CCCc2c(-c3ccc(Cl)c(F)c3)n[nH]c21 299860835 HGQZMWBIINZNDS-SECBINFHSA-N 293.729 2.774 0 1 CFAF CC(C)[C@H](N)c1nc2cc(Cl)c(Cl)nc2[nH]1 587259489 SHPCTCZKNJOYJQ-ZETCQYMHSA-N 259.140 2.921 0 1 CFAF Cc1cc(C)cc(OCc2nc3cncnc3[nH]2)c1 587564937 QKAAJVAYSSQSNH-UHFFFAOYSA-N 254.293 2.549 0 1 CFAF COc1cncc2[nH]c(-c3oc4c(c3C)[C@@H](O)CCC4)nc12 586903599 LPXYRDVPPMTUOZ-JTQLQIEISA-N 299.330 2.905 0 1 CFAF Cc1nc(C)c(Cc2nc3cccc(O)c3[nH]2)s1 587012086 NOSJXHDTNKBRMX-UHFFFAOYSA-N 259.334 2.933 0 1 CFAF Oc1nc(-c2cn3ccsc3n2)nc2ccccc12 1772624980 JYGNOVCFWNDOBP-UHFFFAOYSA-N 268.301 2.712 0 1 CFAF O=c1c2cn[nH]c2[nH]c(=S)n1-c1cccc2ccccc12 13146832 OAKCXVCPYVGGCC-UHFFFAOYSA-N 294.339 2.925 0 3 CFAF Cc1cccc(C[S@](=O)c2nc3cscc3[nH]2)n1 13448580 HJBHYEXHWUUVQS-GOSISDBHSA-N 277.374 2.636 0 1 CFAF CCCCCNC1=NCCN1OCc1cccs1 13539103 HKSUVVPOXNULTI-UHFFFAOYSA-N 267.398 2.631 0 1 CFAF c1ccc(CN[C@H]2[C@H]3[C@H]4C[C@H]5[C@H]3C[C@@H]3[C@@H]5[C@@H]4[C@H]23)cc1 169300496 ZWCQZHOWEDKJBN-FGFHYKELSA-N 251.373 2.923 0 1 CFAF CCCCCC[C@H]([C@@H](C)O)n1cnc2c(N)nccc21 28220264 DAWSASDELFSMFB-VXGBXAGGSA-N 276.384 2.906 0 1 CFAF COc1cc(OC)cc(-c2nc3cc[nH]cc-3n2)c1 100960345 OCLPDRLPVZGJEX-UHFFFAOYSA-N 255.277 2.594 0 1 CFAF Fc1ccccc1COc1cccc2c1cnc1ncnn12 103172187 OLIMJQHVTOXBNV-UHFFFAOYSA-N 294.289 2.996 0 1 CFAF CCc1cc(Cl)cc2nc(N3CCN(C)CC3)oc12 28713683 IDRZWSXUTAOHPG-UHFFFAOYSA-N 279.771 2.795 0 1 CFAF CNC[C@H]1CCCC[C@@]1(OC)c1cccc(OC)c1 29128831 ZQJYAEVPJBDRFS-GDBMZVCRSA-N 263.381 2.947 0 1 CFAF CC1(C)Nc2c(ccc(C(=O)c3ccccc3)c2O)O[C@H]1O 28120350 GUIKNCXYMXZLDB-MRXNPFEDSA-N 299.326 2.525 0 1 CFAF COc1cc(SC)ccc1-c1nc2c(N)cncc2[nH]1 26375605 XKAKSXZIDFVRNK-UHFFFAOYSA-N 286.360 2.938 0 1 CFAF CCCC=CC=CCCCCC[C@@H]1C[C@H](O)[C@@H](N)CN1 2356785652 ALPPRTQKVXDWNZ-IKGGRYGDSA-N 280.456 2.900 0 1 CFAF Cc1ccn2ncnc(Nc3ccc4[nH]ncc4c3)c12 28900968 YZSXZMHGIYILFK-UHFFFAOYSA-N 264.292 2.658 0 1 CFAF CCOc1ccc2c(c1)[C](N)c1ccc(N)cc1N2 2356874820 RWDRFVLFYUJAHM-UHFFFAOYSA-N 254.313 2.612 0 1 CFAF COC(=O)C1=C(c2ccc(C(C)=O)cc2)C[C@@H]2CC[C@H]1N2C 36384354 GTDWTNAJUXLOMP-GOEBONIOSA-N 299.370 2.682 0 3 CFAF N[C@@H]1CCc2c(cccc2-c2ccccc2)CC1=O 72106014 VDFKLQORIBTOTN-MRXNPFEDSA-N 251.329 2.739 0 1 CFAF O=C1NC(=O)c2cc(OCCCc3ccccc3)ccc21 72105325 NQNQRKGZTABJES-UHFFFAOYSA-N 281.311 2.582 0 1 CFAF O=C1NC[C@H](c2ccccc2)c2[nH]c(-c3ccncc3)cc21 40865264 YTGMXIBZURMLHW-OAHLLOKOSA-N 289.338 2.952 0 1 CFAF COc1ccc(C(=O)O[C@H]2[C@H]3C[C@H](O)[C@H](C3)C2(C)C)cc1 1911574770 ZGRBWFVUKGVBAZ-UNQGMJICSA-N 290.359 2.648 0 1 CFAF COC(=O)c1cc2c(N)c3c(nc2nc1C)CCCCCC3 49035610 MJNRKJNEVQCSGU-UHFFFAOYSA-N 299.374 2.966 0 1 CFAF C[n+]1ccccc1C(=O)NCc1ccc(Cl)cc1Cl 1911579449 CUYBBSXEKVFITQ-UHFFFAOYSA-O 296.177 2.748 0 1 CFAF O=C1N(C[C@H]2CCCCN2)CCN1c1cccc(Cl)c1 49054319 HVSRNYNPOUFDNJ-CYBMUJFWSA-N 293.798 2.724 0 1 CFAF COC(=O)c1cc2[nH]c(C=C3CCC3)nc2cc1OC 587965024 MKENTXFVAUJFPP-UHFFFAOYSA-N 272.304 2.925 0 1 CFAF CN[C@@H](c1cccnc1)c1nc2cc(C)c(C)cc2[nH]1 587225086 VNIGCVRSHIFDDB-HNNXBMFYSA-N 266.348 2.884 0 1 CFAF CNC(=O)[C@@H]1C[C@@H]1c1nc2cccc(C(C)(C)C)c2[nH]1 587233786 AMXHUKJQPJKERD-VHSXEESVSA-N 271.364 2.710 0 1 CFAF COc1cc2c3c(c1)OC1(CCC(OC)CC1)[C@@H](C2)C3=O 587444643 WXUMGDNSCXXAOZ-XKZABGERSA-N 288.343 2.770 0 1 CFAF Cc1cc2c(cc1[C@H]1NCCc3c(C)ccnc31)OCCO2 963075579 SQYOHBPCFBLIGC-GOSISDBHSA-N 296.370 2.705 0 1 CFAF CCC(=O)NCC(C)(C)c1cc(OC)ccc1F 1857562242 BBKZKNISEGTPTP-UHFFFAOYSA-N 253.317 2.638 0 1 CFAF CCc1c(C)c(N2CCN(C)CC2)nc2ccccc12 13779700 GKOOJVZBHOFDIS-UHFFFAOYSA-N 269.392 2.857 0 1 CFAF Cc1nn(CC2CCCC2)nc1-c1nc[nH]c2nccc1-2 1857579421 AMQAEOAHHYUBRJ-UHFFFAOYSA-N 282.351 2.667 0 1 CFAF CO[C@H]1[C@H]2CC[C@@H]1CN(c1nc(C)nc3ccsc13)C2 1857586475 CSCCAQLYOMPBMN-PTEHBNRSSA-N 289.404 2.861 0 1 CFAF O=c1[nH]c2c(n3ccnc13)C1(CCCC1)c1ccccc1-2 19459 QOQNAFVNCQWPGB-UHFFFAOYSA-N 277.327 2.863 0 1 CFAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC(=O)NC2=O 6482862 PLKNBMMJILFMCQ-KRXQYRFLSA-N 299.370 2.501 0 1 CFAF CCCNC(=O)c1ccc(N2CCCCC2)s1 117609673 KYRYAIBHJGHRFB-UHFFFAOYSA-N 252.383 2.878 0 1 CFAF O=c1c2c(nc3c(-c4ccc(Cl)cc4)c[nH]n13)CCC2 100492451 HPUKLFOTOUXLJT-UHFFFAOYSA-N 285.734 2.832 0 3 CFAF C[C@@H]1ON(C)[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]12 61924211 QXGMSJBRLKDUNK-GQGQLFGLSA-N 297.402 2.721 0 3 CFAF COc1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccncc1-3 29053700 HNGSMPZLGYDZOV-UHFFFAOYSA-N 279.299 2.733 0 1 CFAF CCN(CC)C[C@@H]1CN1Cc1ccc(Cl)cc1 66076065 ZQOHVUHGVVZNOP-XPCCGILXSA-N 252.789 2.866 0 1 CFAF OCc1cc2nc(-c3ccccn3)[nH]c2cc1Cl 113175369 JNHGWDSZYWTPSK-UHFFFAOYSA-N 259.696 2.771 0 1 CFAF CCOC(=O)c1c(C)nc2c(cnn2CCC(C)C)c1N 26576520 RSPVWKIFXLMJNU-UHFFFAOYSA-N 290.367 2.545 0 1 CFAF CC1=C2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@](C)(O)[C@]2(C)CC1 2356735873 KPANTTZNWNQAGE-PDGPNTQRSA-N 264.365 2.826 0 1 CFAF CCCC(=O)Nc1c2c(nc3ccccc13)CC[C@@H](O)C2 29242873 NFZQQJXFIWPJEU-LLVKDONJSA-N 284.359 2.823 0 1 CFAF CCCCc1nc(=O)cc(O)n1-c1c(C)cccc1OC 1911571970 JHQRYPJEIHSZCU-UHFFFAOYSA-N 288.347 2.598 0 1 CFAF NC(=O)c1cccc2cn(-c3ccccc3Cl)nc12 49068760 CYJGVBUKZAGGCY-UHFFFAOYSA-N 271.707 2.778 0 1 CFAF in-vivo CN(Cc1cc(O)n[nH]1)c1cccc2ccccc12 95582959 XNUMQCWKMNGCHW-UHFFFAOYSA-N 253.305 2.905 0 1 CFAF Cc1ccc(-c2nc3cccc(C(N)=O)c3[nH]2)c(F)c1 587146556 QCXGFVRZRFLQRV-UHFFFAOYSA-N 269.279 2.776 0 1 CFAF CCOC(=O)[C@@H]1CCc2nc3cccc4c3c(c21)CC4 587213111 GABVEQLIVBNGHS-GFCCVEGCSA-N 267.328 2.926 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@]1(C)CCCO1)O2 587410926 HLFCCOZYSCLDOT-HOTGVXAUSA-N 275.348 2.870 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn3ccccc3n1)O2 587393289 FFFAXXCIQWSJPR-OAHLLOKOSA-N 293.326 2.931 0 1 CFAF COc1ccc(-c2nc3cc(F)cnc3[nH]2)c(Cl)n1 587083772 KRIVLNIINGYASW-UHFFFAOYSA-N 278.674 2.821 0 1 CFAF Cc1cncc2nc(CCc3cccc(O)c3)[nH]c12 586896073 IZABECACUFCPRF-UHFFFAOYSA-N 253.305 2.757 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C)n1C)O2 587389326 HFZMOCMCVVVZIV-HNNXBMFYSA-N 270.332 2.931 0 1 CFAF Cc1cnc(Cl)c2[nH]c([C@H]3CC(=O)OC3(C)C)nc12 586906108 JJXVJTBCBNMBPH-SSDOTTSWSA-N 279.727 2.729 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(C(C)C)CC1)O2 587392882 DXWXIXURJNLZRI-UHFFFAOYSA-N 288.391 2.785 0 1 CFAF Fc1nc(Cl)ccc1-c1nc2cnc(Cl)[nH]c-2n1 587177635 RKAXYCYAKVOOBR-UHFFFAOYSA-N 284.081 2.812 0 1 CFAF Nc1nc(-c2ccccc2)cc(-c2nc3cccnc3[nH]2)n1 5387633 TYZUIXKNWRCPMD-UHFFFAOYSA-N 288.314 2.664 0 1 CFAF c1cncc([C@@]2(c3cc4ccccc4[nH]3)COCO2)c1 5581838 XPSQSVZZCLFANE-MRXNPFEDSA-N 266.300 2.811 0 1 CFAF CC(C)(C)N1C(=O)c2ccccc2[C@@]1(O)C(F)(F)F 5713792 QZBUBUCCMXNMEF-GFCCVEGCSA-N 273.254 2.648 0 1 CFAF C[C@@]12CC[C@@]3(CO)CO[C@H](c4ccccc4O1)[C@@H]2C3 12654218 JPABUXDNLBKOTH-DRPJVOAASA-N 260.333 2.688 0 1 CFAF COC(=O)c1ncc(OC)c2c1[nH]c1c(OC)cccc12 13482947 UBQRKGDFPXGZTK-UHFFFAOYSA-N 286.287 2.520 0 1 CFAF O[C@H](C[C@H]1c2ccccc2-c2cncn21)C1CCOCC1 205774354 JXTJKNFGBORUEK-DOTOQJQBSA-N 284.359 2.631 0 1 CFAF N=C(N)c1ccc2c(C(=O)c3ccccc3)c[nH]c2c1 26745044 FBPHAUFMIPKQEK-UHFFFAOYSA-N 263.300 2.683 0 1 CFAF Nc1ccc2nc(NCc3ccc(F)cc3)cnc2c1 1635250 POCYLRPQBQIBBF-UHFFFAOYSA-N 268.295 2.963 0 1 CFAF COc1cc(NC(C)(C)CCCN)c2ncccc2n1 28826040 COHFQKJALGYIOH-UHFFFAOYSA-N 274.368 2.568 0 1 CFAF CN1CC[C@]2(C1)Oc1ccccc1[C@@H]2n1cccc1 29315456 WMBAOQGKEFYPIH-JKSUJKDBSA-N 254.333 2.544 0 1 CFAF CC1=C[C@@H]2OC(=O)[C@H](C)[C@H]2CC[C@@H](C)C(=O)CC1 2356311519 XGVLEFRYWCUHGZ-BYNQJWBRSA-N 250.338 2.890 0 1 CFAF CCN[C@H](C)[C@@H](O)COc1cccc2ccccc12 28767309 FTEJULLHBGDCCA-DOMZBBRYSA-N 259.349 2.578 0 1 CFAF COc1c(C)c(OCC=C(C)C)cc2c1[C@H](OC)NC2=O 2356722482 JATWCCHEHBDVGY-INIZCTEOSA-N 291.347 2.737 0 1 CFAF NC(=O)[C@@H]1CC[C@H](c2ccc(Oc3ccccc3)cc2)N1 146113353 CTMFBXXABDBMPT-CVEARBPZSA-N 282.343 2.757 0 1 CFAF O=c1c(-c2ccccc2)c(CO)oc2cc(O)ccc12 66074258 BWYVIKXMTLFQFY-UHFFFAOYSA-N 268.268 2.658 0 1 CFAF CCOP(=O)(OCC)[C@H]1CN1Cc1ccco1 71295034 KTPPXAYMISNBOE-PXYINDEMSA-N 259.242 2.687 0 1 CFAF CC1(C)CN=C2N(C1)c1ccccc1[C@@]2(O)C1CC1 40641157 YEECJJXZYFPEAS-INIZCTEOSA-N 256.349 2.543 0 1 CFAF Cc1cnc(N2CCSCC2)nc1N[C@H](C)C(C)C 82201955 PMSNJFQMKPMPOB-GFCCVEGCSA-N 280.441 2.795 0 1 CFAF COc1cccc2nc(CC[C@@H](C)CC(=O)O)[nH]c12 587962175 ASIPECZNLBJFAV-SECBINFHSA-N 262.309 2.615 0 1 CFAF O=C(O)c1cccc2nc(C(F)(F)c3ccccn3)[nH]c12 587089377 CDVPKCQYHXKDIS-UHFFFAOYSA-N 289.241 2.796 0 1 CFAF C[C@H](F)[C@@H](N)c1nc2cc(Cl)c(Cl)nc2[nH]1 587126069 VOEXAODBZAKMLE-BBIVZNJYSA-N 263.103 2.623 0 1 CFAF CC1=CC[C@@H](c2cnc3nc(O)nc(O)c3c2)C1(C)C 587562051 OBOLJHCMONINRV-NSHDSACASA-N 271.320 2.896 0 1 CFAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2c(O)ncnc2[nH]1 587933139 UIIXKFNPGJMLOD-MGPLVRAMSA-N 296.330 2.512 0 1 CFAF N[C@H](c1ccsc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587026446 XLIKWGQQYUUMCA-SNVBAGLBSA-N 291.307 2.510 0 1 CFAF O=C(O)Cn1ccc(C(=O)c2ccn(-c3ccccc3)c2)c1 13493081 KXMFFRZQZOEAML-UHFFFAOYSA-N 294.310 2.594 0 1 CFAF CN(Cc1ccccc1)C(=O)OCCCc1c[nH]cn1 13747106 XWJGYIXBAWQEBW-UHFFFAOYSA-N 273.336 2.611 0 1 CFAF c1ccc(N=c2[nH]nc(CCCN3CCCCC3)o2)cc1 1857768295 QOADFJPSTCPRNI-UHFFFAOYSA-N 286.379 2.654 0 1 CFAF CN1CC[C@@H]2[C@H](CCC[C@H]2NC(=O)c2ccc(F)cc2)C1 1841639 ZXUXBBXHJDRZIY-FVQBIDKESA-N 290.382 2.676 0 1 CFAF O=C1N2CCSC2=NC1(c1ccccc1)c1ccccc1 1559473 FYIWQGOPDHFVJD-UHFFFAOYSA-N 294.379 2.875 0 1 CFAF COc1cc2c(cc1OC)C(=O)N(c1ccc(O)cc1)C2 1639176 XQUVLPCXLLTDEC-UHFFFAOYSA-N 285.299 2.570 0 1 CFAF Nc1ccnc(SCCCOc2ccccc2)n1 1745862 DZAFSXYPQVMJIZ-UHFFFAOYSA-N 261.350 2.620 0 1 CFAF C[C@@H]1CCCC(=O)CCCc2cc(O)cc(O)c2C(=O)O1 2356322756 AOWCMVPFOMNSMB-SNVBAGLBSA-N 292.331 2.719 0 1 CFAF O=C1c2ccccc2[C@H](O)N1Cc1ccccc1Cl 4991917 KZPSEHDZYRELII-AWEZNQCLSA-N 273.719 2.987 0 3 CFAF CC(C)NC[C@H](O)[C@@H](C)Oc1ccc2ccccc2c1 28229032 ZBHSIFRWYRQAAI-DYVFJYSZSA-N 273.376 2.966 0 1 CFAF CNc1[nH]ccc2nc(-c3ccc(OC)cc3OC)nc1-2 100820763 ZGGBGOCSBNJSSR-UHFFFAOYSA-N 284.319 2.635 0 1 CFAF COc1cccc(Nc2nc([C@H](N)C(C)C)cs2)n1 61928674 SBJXWYNFIYTEBW-GFCCVEGCSA-N 278.381 2.946 0 3 CFAF CO[C@]12C[C@]3(C)CCC[C@@](C)(O)[C@H]3CC1=C(C)C(=O)O2 2356694722 DWKVFTSXSNTDJB-HNKHHVNMSA-N 280.364 2.554 0 1 CFAF CCOC(=O)[C@@]1(C)CCN1C(=O)c1ccc(F)c(Cl)c1 61903599 UTQMDUJMJUMLLY-CQSZACIVSA-N 299.729 2.647 0 3 CFAF c1ccc(Cc2nsc([C@@H]3CN4CC[C@@H]3C4)n2)cc1 34361515 UKDKFBQSHARSBJ-CHWSQXEVSA-N 271.389 2.548 0 1 CFAF C=COCCCNCc1coc(-c2ccc(OC)cc2)n1 72181701 CWPPQOZHHIIKNG-UHFFFAOYSA-N 288.347 2.990 0 1 CFAF COc1ccc2c(C)cc(NCCCN(C)C)nc2c1 45298468 GWIONPZEXLHRRV-UHFFFAOYSA-N 273.380 2.915 0 1 CFAF COc1ccc(CC(=O)Nc2cn(C(C)C)cn2)cc1 45260622 GDNYJRCASIYXQQ-UHFFFAOYSA-N 273.336 2.654 0 1 CFAF C[C@@H]1C[C@H]2CC(=O)[C@H]3CCCN4CCCC[C@]23[C@@]4(O)C1 238743163 LIAOMFRUDNEIRY-VUBIOHBQSA-N 277.408 2.576 0 1 CFAF O=P(O)(O)Oc1cccc(-c2ccccc2)c1 96931998 NNEQNTSPBOJNEC-UHFFFAOYSA-N 250.190 2.825 0 1 CFAF C[C@H]1O[C@H](C(C)(C)C)CC2=C1C(=O)OC(C)(C)O2 95567178 WWOUMTNWQRUXPK-SCZZXKLOSA-N 254.326 2.774 0 3 CFAF C[C@@]1(C(=O)O)CCC[C@]2(C)[C@H]3CCC(=O)C[C@@H]3C(=O)C[C@@H]12 95592223 GFLLGBXXPFKQAI-MISOGJRXSA-N 292.375 2.842 0 1 CFAF COC(=O)C1=C[C@@H]2C(=C(C)CC[C@H]2[C@H](C)CO)CC1 238774509 XRCMEOXEWNTAPL-BYCMXARLSA-N 264.365 2.851 0 1 CFAF C[C@@H](Cc1nc2ccc(Br)c(O)c2[nH]1)N(C)C 587192120 RHKLQKLPHJQRBT-ZETCQYMHSA-N 298.184 2.524 0 1 CFAF COc1ccc(NC(C)(C)c2nc3cncnc3[nH]2)cc1 587201843 XLYYOGKDLMGKTR-UHFFFAOYSA-N 283.335 2.709 0 1 CFAF Fc1ccc2c(c1)C[C@H](c1nc3cc(F)cnc3[nH]1)O2 587174086 LZILCKFSMUHJJF-GFCCVEGCSA-N 273.242 2.912 0 1 CFAF O=C(c1ccc(O)nc1)n1nc2cc1Oc1ccc(F)cc1-2 587873585 IFNXRDAJWCHGMN-UHFFFAOYSA-N 297.245 2.584 0 1 CFAF O=C(O)/C=C/C=C/c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587969038 PNEIKDBVLLYWSN-ZPUQHVIOSA-N 286.184 2.773 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)O)(c1ccccc1)O2 587406306 GBVDNFPSDFUQNA-QGZVFWFLSA-N 297.310 2.523 0 1 CFAF CC(C)O[C@@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O 587652166 MKRCBSAUFPSXLT-VIFPVBQESA-N 294.738 2.504 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1ccccn1)O2 587393500 IBCHLZRCNCDGCF-CYBMUJFWSA-N 282.343 2.939 0 1 CFAF Cc1ccc2nc(Cc3cc(N)ccc3F)[nH]c2n1 587142414 ZFBMLGUQDZCTOJ-UHFFFAOYSA-N 256.284 2.578 0 1 CFAF Nc1c(F)c(F)cc(-c2nc3cnccc3[nH]2)c1F 587136121 CMBJDFMBMQWODX-UHFFFAOYSA-N 264.210 2.624 0 1 CFAF CC(=O)c1ccc2nc(-c3cccc(CN)c3)[nH]c2c1 587246420 JDTRNMSIOVPOLB-UHFFFAOYSA-N 265.316 2.891 0 1 CFAF O=C(O)CCCCCONC1=CCCOc2ccccc21 957684358 LFBLPZHUXHQESZ-UHFFFAOYSA-N 291.347 2.976 0 1 CFAF COC(=O)[C@H]1C[C@@]2(C=C1C)NCCc1c2sc(C)c1C 963022687 KHRUITBJIZLVNN-XJKSGUPXSA-N 291.416 2.845 0 1 CFAF CCCC[C@@H](CCO)Nc1nc(N)nc2cc(F)ccc12 223309104 WHKQLSTUQFRCNC-NSHDSACASA-N 292.358 2.704 0 1 CFAF CN1C=CN(COCC[Si](C)(C)C)C1=CN=O 1857561660 UOIRDXKLTJWWDS-UHFFFAOYSA-N 255.394 2.583 0 1 CFAF Cc1nc2c(c(N(C)c3ccc(O)cc3)n1)CCC2 1857756185 NVDOFMKNCIDARR-UHFFFAOYSA-N 255.321 2.747 0 1 CFAF CNc1nc2ccc(C)cc2n2ncc(Br)c12 1857762982 GACXKLGBVUXFAQ-UHFFFAOYSA-N 291.152 2.995 0 1 CFAF O=c1[nH]nc2c3c([nH]c4cccc1c42)CCCCC3 150094575 KXXRGTYOVUETBV-UHFFFAOYSA-N 253.305 2.673 0 1 CFAF c1ccc(-c2noc(C[C@H]3CN4CCC3CC4)n2)cc1 1857539238 OZANGBMPTQOWEV-AWEZNQCLSA-N 269.348 2.621 0 1 CFAF NC(=S)c1cccc(-c2cn(CCO)c3ccccc23)c1 1857600378 JYSGVMMXMTUDLO-UHFFFAOYSA-N 296.395 2.935 0 1 CFAF Cc1ccccc1Nc1ncccc1C(=O)N1CCOCC1 1340602 KGEUYZUDZMITTM-UHFFFAOYSA-N 297.358 2.606 0 3 CFAF CCCN1Cc2cccc3c2n(c(=O)n3C(C)C)C[C@H]1C 6380294 SUHLWLBRKBZCOM-CYBMUJFWSA-N 287.407 2.998 0 1 CFAF C[C@@H]1CCCN(C(=O)Nc2cn(C)c(=O)c3ccccc23)C1 6931866 DXZFTDAREKDSMM-GFCCVEGCSA-N 299.374 2.802 0 1 CFAF COc1ccc(C2COc3ccccc3OC2)cc1O 2356289649 VSRPRJWYHKYICN-UHFFFAOYSA-N 272.300 2.956 0 1 CFAF C[C@H](Nc1c(Nc2ccncc2)c(=O)c1=O)C1CCCCC1 102961087 KBRJIBFRLFVYJL-NSHDSACASA-N 299.374 2.802 0 1 CFAF CCN1C(SC)=NN/C1=C1\C=Nc2ccccc21 104036457 IKPCZSXTBJLMTJ-BENRWUELSA-N 258.350 2.630 0 3 CFAF CCN1CC(=O)N(c2cccc(Cl)c2Cl)C1=S 27754448 HAKHVTHXPZOXLM-UHFFFAOYSA-N 289.187 2.947 0 1 CFAF Oc1cccc(C[C@@H](c2ccccc2)N2CCNCC2)c1 29473872 VPNYIGJUQBPBMU-SFHVURJKSA-N 282.387 2.581 0 1 CFAF in-vivo Cc1ccc(Cl)cc1N1C(=O)[C@@H](C)N(C)C1=S 27758536 SDOZIOYAYKITSR-MRVPVSSYSA-N 268.769 2.600 0 1 CFAF CC(=O)O[C@@H]1CC[C@](C)(O)[C@@H]2C[C@](O)(C(C)C)CC[C@]12C 2356747766 VWSRUUYZMKAPCQ-NRKLIOEPSA-N 298.423 2.656 0 1 CFAF CCO[C@@H]1C[C@@H]2C(C)(C)CCC[C@]2(C)C2=C1C(=O)O[C@H]2O 2356861660 ULNDEDWNCOHSHX-PDVJJKOASA-N 294.391 2.800 0 1 CFAF CN(C)c1cc2c(NC3CCCCC3)ncnc2cn1 40976835 BIHNHSWAESOZQF-UHFFFAOYSA-N 271.368 2.835 0 1 CFAF CCn1c(=O)c2cc(C(=O)O)cn2c2cc(C)c(C)cc21 40465338 IVVSMFFONAZRPE-UHFFFAOYSA-N 284.315 2.589 0 1 CFAF Cc1cc2c(cc1O)C(=O)N1CCC3=CCC=C2[C@@H]31 95486374 JYFFGVCTWGEULW-OAHLLOKOSA-N 253.301 2.642 0 1 CFAF biogenic,in-vitro Oc1nc(-c2nc3cc(F)c(F)cc3[nH]2)cs1 587017125 IOWMFMBPQZEGBE-UHFFFAOYSA-N 253.233 2.670 0 1 CFAF COc1cc2nc(-c3cncc(N)c3)[nH]c2cc1Cl 587253966 INBSAMRMXOEGGO-UHFFFAOYSA-N 274.711 2.869 0 1 CFAF O[C@@H]1C[C@@H](c2nc3cccnc3[nH]2)c2ccccc21 586904254 SDOFXHMABMDION-DGCLKSJQSA-N 251.289 2.527 0 1 CFAF O[C@H](c1nc2cnc3ccccc3c2[nH]1)C1CCOCC1 586916919 PJVKUXWLULQTTG-HNNXBMFYSA-N 283.331 2.571 0 1 CFAF COC(=O)c1ccc2nc(/C=C\c3ccsc3)[nH]c2n1 587025688 MOYGSOGMVMOQHA-DJWKRKHSSA-N 285.328 2.976 0 1 CFAF COC(=O)C[C@H]1Cc2nc3cccc4c3c(c2C1)CC4 587215003 XUCLOVLBJRBFBT-SNVBAGLBSA-N 267.328 2.611 0 1 CFAF CCOC(=O)c1cn(C)nc1C(=O)c1coc2ccccc12 587280807 ZCBDIFRWCPCBGJ-UHFFFAOYSA-N 298.298 2.574 0 1 CFAF COc1cc(-c2nc3c(C)ccnc3[nH]2)cc(OC)c1O 587787114 ZTKWIRMHGIFLLM-UHFFFAOYSA-N 285.303 2.656 0 1 CFAF COCC(C)(C)[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587398834 FLMAFIVTHQOCNE-ZDUSSCGKSA-N 263.337 2.584 0 1 CFAF COc1ccc(-c2nc3cnc(Cl)[nH]c-3n2)c(Cl)n1 587084351 ZQAFGDPCARAPJC-UHFFFAOYSA-N 296.117 2.682 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c[nH]cc31)O2 587396625 MSDCQHGEVBOEOK-INIZCTEOSA-N 268.316 2.712 0 1 CFAF CCO[C@H]1CCCC[C@@]12NCCc1c(C(=O)O)cccc12 963133926 UUPGLJBCXVPKRM-RDJZCZTQSA-N 289.375 2.705 0 1 CFAF CCOCc1ccc(C=O)n1CCc1ccc(O)cc1 1857640097 WBERZWMPUUFVHW-UHFFFAOYSA-N 273.332 2.785 0 1 CFAF O=C1C=CCCN1C(=O)/C=C/c1ccc(Cl)c(F)c1 1857767778 OZYDOUKAPZQJMB-FNORWQNLSA-N 279.698 2.807 0 1 CFAF O[C@H](C[C@@H]1c2ccccc2-c2cncn21)c1ccccn1 203792684 FNGDHPYZIOFVLB-NVXWUHKLSA-N 277.327 2.972 0 1 CFAF C[C@H](CO)CC(=O)C[C@]1(C)CC[C@H](c2ccoc2)O1 5641395 LKVKWNDXOWODLO-GLQYFDAESA-N 266.337 2.868 0 1 CFAF endogenous,in-man C/N=c1\scc(C)n1NC(=O)Nc1ccc(Cl)cc1 4710013 CLDOYJGWBAIVME-OWBHPGMISA-N 296.783 2.818 0 1 CFAF CN1[C@@H]2CC[C@@H]1CC(NC(=O)c1c[nH]c3ccccc13)C2 102207347 VZCWUXOAPXKZHI-CHWSQXEVSA-N 283.375 2.523 0 1 CFAF O=c1[nH]c2cc(F)ccc2n1-c1nc2ccccc2o1 26650169 FOSOKBNWILBLSN-UHFFFAOYSA-N 269.235 2.599 0 1 CFAF CCNC(=O)NC[C@@H]1C[C@H]1c1cccc2c1O[C@H](CC)N2 28224597 HOVPRNGLKDSXLM-ZKYQVNSYSA-N 289.379 2.650 0 1 CFAF Cc1ccc2c(c1)[C@@H](N1CCCC1)[C@H](O)C(C)(C)O2 29347253 PGBHRMURCXXYEO-CABCVRRESA-N 261.365 2.664 0 1 CFAF COc1cccc(/C=C(\[C@H](O)C(C)(C)C)n2cncn2)c1 27425658 YLTVZOJEDAIVRQ-HNRFISLBSA-N 287.363 2.692 0 1 CFAF CC1=CC=CN2C[C@@H](C(=O)c3ccccc3)CN=C12 43063427 AVFRYAJAXHYRRP-AWEZNQCLSA-N 252.317 2.673 0 1 CFAF O=c1[nH]c(-c2cccc(O)c2)c2ccccc2c1O 144314763 LMAPHZXFPNPWPP-UHFFFAOYSA-N 253.257 2.606 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cc(C)ns1)[C@@H](C2)C3=O 587453116 QCNAWNWECATHAM-ZUZCIYMTSA-N 287.340 2.949 0 1 CFAF COc1cccc(CCc2nc3cnc(Cl)[nH]c-3n2)c1 587932034 UUMWCBWMURXTMO-UHFFFAOYSA-N 288.738 2.752 0 1 CFAF COc1cc2c3c(c1)OC1(CCSCC1)[C@@H](C2)C3=O 587451087 HVBWJGUNFWXHKZ-NSHDSACASA-N 276.357 2.708 0 1 CFAF COc1cc2nc(C[C@H]3CCC(=O)[C@H]3C)[nH]c2cc1F 587963743 RYULHRAQHKPGQC-DTWKUNHWSA-N 276.311 2.868 0 1 CFAF Cc1ccc2nc(CCc3ccc(C)c(N)c3)[nH]c2n1 587250907 RNFHUCMPQJFOET-UHFFFAOYSA-N 266.348 2.942 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccnc1F)O2 587387494 SPGKKGMCLTYUHT-ZDUSSCGKSA-N 272.279 2.818 0 1 CFAF Nc1cnc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)nc1 587252266 BLMJPSSKKMQYAX-UHFFFAOYSA-N 297.215 2.760 0 1 CFAF C[C@H]1CC(C)(C)C[C@]2(NCCc3ccc(O)cc32)C1=O 963342069 QUKCUHXWLILEML-APPDUMDISA-N 273.376 2.758 0 1 CFAF Cc1cc(CNS(=O)(=O)c2ccc(F)cc2)c(C)s1 1857579888 XDAASDQCZBIVRY-UHFFFAOYSA-N 299.392 2.983 0 1 CFAF Nc1nccc(-c2c[nH]c3ncc(-c4ccoc4)cc23)n1 1772578095 XVSQCPXHQMSQEO-UHFFFAOYSA-N 277.287 2.862 0 1 CFAF CNS(=O)(=O)c1ccccc1-c1ccc(Cl)cc1 1772574916 FBIVTIFVEKXKBU-UHFFFAOYSA-N 281.764 2.915 0 1 CFAF CCN1c2ncccc2C(=O)N(C)c2cc(C)c(C)nc21 5841716 BEDHGLWDRNTRSG-UHFFFAOYSA-N 282.347 2.841 0 1 CFAF CCc1[nH]c(=O)c(N(C)C)c(C(=O)c2cccc(C)c2)c1C 5886834 OEGJDZNNGJPFDH-UHFFFAOYSA-N 298.386 2.851 0 1 CFAF Cc1ccc(Cc2c(=O)[nH]nc3ccccc23)cc1 17210193 FLLIVBQNLWXIAJ-UHFFFAOYSA-N 250.301 2.822 0 1 CFAF Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)nc1 205636277 FFNRFPTZYNSYEU-UHFFFAOYSA-N 299.355 2.739 0 1 CFAF CCCC(=O)NCCCc1cccc2c1OC=CO2 1546356 RMBHTTWDEDDVJS-UHFFFAOYSA-N 261.321 2.778 0 1 CFAF COC(=O)C1=C[C@@H]2C(=C(C)CC[C@H]2[C@@H](C)CO)CC1 2356404829 XRCMEOXEWNTAPL-TUKIKUTGSA-N 264.365 2.851 0 1 CFAF COc1cc(-c2ccncc2)cc2c1NC(=O)CC2 26487029 CRYZLKKQWUGQHY-UHFFFAOYSA-N 254.289 2.642 0 1 CFAF Cc1ccnc2c(N[C@H](C)CCCN)cc3c(c12)OCO3 28011558 PXMPGEJDEOMSJW-LLVKDONJSA-N 287.363 2.811 0 1 CFAF Cc1cn(CCCNC(=O)c2ccc(Cl)cc2)cn1 27620714 GSPHKONADAZGNG-UHFFFAOYSA-N 277.755 2.665 0 1 CFAF CCCC[C@H](C=C[C@@H]1CC=CC(=O)O1)OC(C)=O 2356545166 NIMODSMHVSSGLL-OLZOCXBDSA-N 252.310 2.536 0 1 CFAF C[C@H](CO)[C@@H]1OC(C)(C)OC[C@@]1(C)OCc1ccccc1 2356654051 VPUMLCSEKGWYIX-UKPHBRMFSA-N 294.391 2.742 0 1 CFAF Cc1cc(C)c2c(c1)O[C@]1(OC(=O)c3ccccc31)C2=O 95590049 GZBDVSKMCBUIKF-QGZVFWFLSA-N 280.279 2.902 0 1 CFAF Cc1cc(N2CCN(c3cnccc3C)C2=O)ccn1 148692007 PCXRWRGMTAGRDC-UHFFFAOYSA-N 268.320 2.540 0 1 CFAF Clc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1 149933609 BCNVOCHGDPAXIS-ZDUSSCGKSA-N 290.754 2.535 0 1 CFAF Cc1coc2c1[C@H](O)[C@@]1(C)[C@H](C)[C@@H](O)CC[C@@H]1C2 257459353 JWKRZHJQYDUUNQ-XWKQNIGYSA-N 250.338 2.591 0 1 CFAF endogenous,in-man Clc1ccc(N=c2[nH]c(-n3cccn3)cs2)nc1 473135801 LENUBLNTFACNHJ-UHFFFAOYSA-N 277.740 2.543 0 1 CFAF COc1ccc(Nc2cc(-c3ccncc3)n[nH]c2=O)cc1 299827843 PWGYOOFZRYVRNQ-UHFFFAOYSA-N 294.314 2.584 0 1 CFAF Cc1cncc2nc(-c3cc(F)cc(F)c3O)[nH]c12 587134351 OUCNTPHWWWANKE-UHFFFAOYSA-N 261.231 2.917 0 1 CFAF COC(=O)C[C@H]1Cc2nc3cccc4c3c(c21)CC4 587215041 ZJULSPNJEBDSCI-SNVBAGLBSA-N 253.301 2.536 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(C3CC3)nc1)O2 587393287 FDPRKQOUNAUUKY-OAHLLOKOSA-N 295.342 2.951 0 1 CFAF CS(=O)(=O)/C=C/c1nc2cc3ccccc3cc2[nH]1 586925850 JQMOPTCOPGBVLG-VOTSOKGWSA-N 272.329 2.731 0 1 CFAF c1cc2c3c(c4c(nc3c1)-c1cncnc1CC4)CC2 587213189 UFJSLONHIQQVPA-UHFFFAOYSA-N 259.312 2.889 0 1 CFAF C[C@@H](CO)c1ccc2c(c1)OCc1ccccc1C2=O 169318602 IQHZNYCZSCDXAU-NSHDSACASA-N 268.312 2.906 0 1 CFAF Cc1ccnc2c1CCN[C@]2(C)[C@@H]1C[C@H](N)c2ccccc21 963079037 ZUWBRVCYDKTLHK-ZIFCJYIRSA-N 293.414 2.938 0 1 CFAF CCn1cc2c(=O)[nH]nc-2c2ccc(-c3ccncc3)cc21 5848368 XWFDPHPCTJZSLE-UHFFFAOYSA-N 290.326 2.911 0 1 CFAF Nc1sc2c(c1C(=O)c1ccccc1Cl)CCNC2 13442660 YLRJNIHUKQLSLB-UHFFFAOYSA-N 292.791 2.860 0 1 CFAF CN(O)C(=O)NCCCSc1nc2ccccc2s1 13650918 HTSVYGUGMQHHQE-UHFFFAOYSA-N 297.405 2.809 0 1 CFAF COc1ccccc1-c1noc([C@H]2CN3CCC2CC3)n1 13860859 WMGKNFNQUYJCPM-ZDUSSCGKSA-N 285.347 2.554 0 1 CFAF CSc1nsc(NC(=O)Nc2ccccc2)n1 1017734 KDKQLKFPVNTJIE-UHFFFAOYSA-N 266.351 2.904 0 3 CFAF COCCNC(=O)c1c(C(C)(C)C)noc1-c1ccoc1 2483884 YHEXRSSCZHKEOB-UHFFFAOYSA-N 292.335 2.608 0 1 CFAF CCOc1cccc2c1O[C@]1(C)C[C@@H]2/C(=C(\C)O)C(=O)N1 104345194 RKRHDCUVGVUMHM-FVHPPYOPSA-N 289.331 2.629 0 1 CFAF C[C@@H](C(=O)O)c1cc(O)c2c(c1)CCc1ccccc1C2=O 26401111 NTAPIDGZYXWUBJ-SNVBAGLBSA-N 296.322 2.910 0 1 CFAF CCC[C@@H]1[C@H](C)C[C@](O)(CC)[C@@H]1[C@]1(CC)OC(=O)C[C@@H]1O 2356640442 BSZWGEKCCWIUCC-WDFXUMBOSA-N 298.423 2.656 0 1 CFAF COc1ccc(-c2[nH]c(-c3ccncc3)cc2C(N)=O)cc1 64503529 JAKVUTLQQQVGSN-UHFFFAOYSA-N 293.326 2.851 0 1 CFAF Cn1cncc1-c1cc2cc3c(cc2o1)O[C@@H](C(C)(C)O)C3 72175478 KOYJTNWWQYXATJ-MRXNPFEDSA-N 298.342 2.908 0 1 CFAF CC(=O)O[C@@H]1CC[C@](C)(O)[C@H]2[C@@H](CC(C)(C)O)CC[C@]21C 70455220 NPBYTIHOCDRNRJ-BJMQQELFSA-N 298.423 2.656 0 1 CFAF biogenic,in-vitro O=C(CCc1ccccc1)Cn1nc2ccccc2n1 89455747 KRZDEWAMSUEDQC-UHFFFAOYSA-N 265.316 2.633 0 1 CFAF CO/C=C(/C(=O)OC)[C@H](C)C(=O)/C=C/c1ccccc1 34073628 PUMAFCMPTDKDTP-XRNFIJDDSA-N 274.316 2.608 0 1 CFAF CN(Cc1cnccn1)C[C@H]1CCOc2ccccc2C1 95505661 MBSSNDSBHHHGMZ-AWEZNQCLSA-N 283.375 2.550 0 1 CFAF CN(C)[C@]1(c2ccccc2)CC[C@H](N2CCOCC2)CC1 299829681 KZDHHBYCERGVIK-HDICACEKSA-N 288.435 2.718 0 1 CFAF Oc1nncc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 587153021 UWGKJEHITVGLAA-JGVFFNPUSA-N 288.257 2.608 0 1 CFAF Cc1cc(C)cc(OCc2nc3ccnc(O)c3[nH]2)c1 587564913 PGIOUTZNDURUDK-UHFFFAOYSA-N 269.304 2.859 0 1 CFAF CCOC(=O)[C@H](CC(C)=O)c1cc2c3c(cccc3n1)CC2 587211311 DKLRGNHGMFFNAC-CQSZACIVSA-N 297.354 2.959 0 1 CFAF O=c1c2cc(Cl)ccc2cnn1CCc1ccncc1 587653237 TYYOSOFUDDUWCB-UHFFFAOYSA-N 285.734 2.688 0 1 CFAF NC(=O)c1cccc2nc(CCc3ccccc3F)[nH]c12 587148367 BZQYWHFJONVDFU-UHFFFAOYSA-N 283.306 2.586 0 1 CFAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccccc3[nH]1)C2 587247377 QKGNJJFFISMYJK-SFHVURJKSA-N 293.370 2.914 0 1 CFAF CC(C)OC(=O)Cc1cc2c3c(cccc3n1)CC2 587211385 FBKGJPMJVKEXCB-UHFFFAOYSA-N 255.317 2.828 0 1 CFAF Nc1cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)ccc1F 587140781 QJGFQQKPACVVGJ-UHFFFAOYSA-N 283.266 2.533 0 1 CFAF Cc1ccc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c2n1 586905854 FEPYIBIJFPISDQ-JYRVWZFOSA-N 277.283 2.935 0 1 CFAF Nc1ncccc1Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1 587253388 GLMCILDPPIZHTQ-UHFFFAOYSA-N 296.227 2.687 0 1 CFAF Nc1cccc(O)c1-c1nc2cc(C(F)(F)F)ncc2[nH]1 587250729 QQUPGNXMBOBVHR-UHFFFAOYSA-N 294.236 2.932 0 1 CFAF COc1cc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c2cn1 586878436 DENULVSEEMZGIO-SREVYHEPSA-N 295.298 2.731 0 1 CFAF Oc1nc(O)c2ccc(-c3cccc4cnccc34)nc2n1 587555461 OCLPDBZTEDSWLM-UHFFFAOYSA-N 290.282 2.651 0 1 CFAF Cc1cc(CSc2nnc(Nc3cccnc3)[nH]2)no1 14964372 AACDUZATGDPUNH-UHFFFAOYSA-N 288.336 2.532 0 1 CFAF COc1ccc(OC)c2c1CC[C@H](CN1CCCC1)C2=O 169319275 RHXNLDPTFQGWAU-GFCCVEGCSA-N 289.375 2.545 0 1 CFAF CC1(N=c2cc(-c3ccncn3)[nH]c3cnccc23)CCC1 1857578112 XDCZJBKBUHYSNO-UHFFFAOYSA-N 291.358 2.863 0 1 CFAF O=C(NC1CCCCC1)c1cc(F)cc2c1OCOC2 130048 UBWFVSANLCYINB-UHFFFAOYSA-N 279.311 2.755 0 3 CFAF Cc1oc(N)c(S(=O)(=O)c2ccc(Cl)cc2)c1C 1654692 SDDOQDBWKMJJBA-UHFFFAOYSA-N 285.752 2.965 0 1 CFAF C[C@]1(O)CC[C@@H]2[C@H](C=C[C@]3(C)OC(=O)CC[C@]23C)C1 2356334929 PVEDCQZJTQKQDQ-DEDQRHPVSA-N 264.365 2.826 0 1 CFAF Cc1ccc([C@@H]2N(c3cc(C)on3)C(=O)[C@H]3CCCN23)cc1 59814400 KKRZRZAJAVDEEL-ZBFHGGJFSA-N 297.358 2.801 0 3 CFAF C[C@@H]1NC(C)(C)CO[C@]1(O)c1ccc(Cl)c(Cl)c1 53312848 GRQDILLJMSLURW-SDBXPKJASA-N 290.190 2.925 0 1 CFAF CO[C@H](CC(=O)c1ccc(Cl)c(Cl)c1)C(=O)O 26730667 QWBKNCDBZDJXIY-SNVBAGLBSA-N 277.103 2.666 0 1 CFAF Cc1c(Cn2ccnc2)oc2ccc(C(=O)O)cc12 29391513 XQVYIQZBDOGEHG-UHFFFAOYSA-N 256.261 2.684 0 1 CFAF CN(C)C(=O)c1cccc(-c2cccc3nccn23)c1 61907861 KRRZREXBRUSRGS-UHFFFAOYSA-N 265.316 2.703 0 3 CFAF C[C@]1(C(=O)O)C[C@@H]2C=C(C(=O)O)[C@@H]3CC[C@]3(C)[C@H]2C1 2356791478 IPGWJKFNMYXJRY-ZPWMWOCISA-N 264.321 2.544 0 1 CFAF CCCCNC(=O)/C=C/C=C/c1ccc2c(c1)OCO2 33967467 GLSARSFOAIORLO-YDFGWWAZSA-N 273.332 2.901 0 1 CFAF COc1cccc([C@@H](NC2CCCCC2)[C@H](CO)OC)c1 40975123 STNAEVCHMUFFDK-DLBZAZTESA-N 293.407 2.666 0 1 CFAF CCN1c2ncccc2C(=O)N(C)c2c(C)cc(OC)nc21 40891965 ZWYMYVNXVALUFQ-UHFFFAOYSA-N 298.346 2.542 0 1 CFAF Clc1cccc(COc2cc3n(n2)CCCC3)n1 96911202 STQLZLWREACPIX-UHFFFAOYSA-N 263.728 2.847 0 1 CFAF C[C@@H]1CCC[C@H](n2cnc(C[C@H](CCCN)C(=O)O)c2)C1 261165384 RUGXMJXNVBQNEE-IPYPFGDCSA-N 293.411 2.617 0 1 CFAF N[C@H]1C[C@H]1c1cccc(NC(=O)c2ccccc2)c1 299853513 LWZOXNDYTWHCNC-GJZGRUSLSA-N 252.317 2.754 0 1 CFAF COc1cccc(-c2nc3cc(Cl)ncc3[nH]2)c1O 587787529 WYKROZCLQGMFKP-UHFFFAOYSA-N 275.695 2.993 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)[C@H](Cc1ccccc1)CC3 587562334 WVSOFLHRZQGADD-NSHDSACASA-N 293.326 2.709 0 1 CFAF Fc1cc2[nH]c(C3CC4(COC4)C3)nc2cc1-n1cccn1 586918725 ZXVSVSMZEMRMRD-UHFFFAOYSA-N 298.321 2.782 0 1 CFAF Oc1ccccc1C1(c2nc3nc(Cl)c[nH]c-3n2)CC1 586897221 VNKCVDMRDHPFSN-UHFFFAOYSA-N 286.722 2.743 0 1 CFAF Cc1cnc2[nH]c(Cc3sc(C)nc3C)nc2c1 587013074 YZBPCXFDYIUNJE-UHFFFAOYSA-N 258.350 2.930 0 1 CFAF N=c1nc2c(N)ccc(-c3cccc(Cl)c3Cl)n2[nH]1 1857573671 GXNVBZVGEQCMRG-UHFFFAOYSA-N 294.145 2.698 0 1 CFAF CC(C)C(=O)N1[C@H]2CC[C@@H]1CC(O)(c1ccc(F)cc1)C2 13150620 WHNVESPNUXYRTO-FKEKPDDDSA-N 291.366 2.823 0 1 CFAF COc1cc(/C=C\c2ccc(O)c(OC)c2)oc(=O)c1 13340546 YHVDGZPFCGLBOW-HYXAFXHYSA-N 274.272 2.533 0 1 CFAF endogenous,in-man CC(C)=C[C@@H]1N[C@H](C(=O)O)Cc2c[nH]c3cccc1c23 13399530 VZMAHZAQMKNJIG-KBPBESRZSA-N 270.332 2.774 0 1 CFAF in-vitro CCc1cccc(CC)c1-n1c(=O)[nH]c2ccccc2c1=O 13479540 HJBJGSGWHRZAFR-UHFFFAOYSA-N 294.354 2.804 0 1 CFAF CCN1CCC[C@H]1CN1CSc2ccccc2C1=O 13833675 AAEQTHDVHJEWMZ-LBPRGKRZSA-N 276.405 2.676 0 1 CFAF Oc1cccc2c1-c1c3c(cc4c1[C@H](C2)NCC4)OCO3 14683244 JBFZNWJDRCJITD-NSHDSACASA-N 281.311 2.531 0 1 CFAF NC(=S)c1cccc(-c2cn(CO)c3ccccc23)c1 1857549853 RJHWXQRPTCRMKC-UHFFFAOYSA-N 282.368 2.892 0 1 CFAF CC(C)Cn1cc2[nH]c(N3CCC[C@@H](C)C3)ncc-2c1=O 1857594422 QOEBQOUSWKWVGL-GFCCVEGCSA-N 288.395 2.569 0 1 CFAF O=C(O)C[S@@](=O)c1ccc(-c2ccccc2)cc1 13531996 XYRRMGHQYADGMG-SFHVURJKSA-N 260.314 2.546 0 1 CFAF CN(C)C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651075 VHNRAVFHRCGQTE-QGZVFWFLSA-N 295.382 2.850 0 1 CFAF C[C@H]1CC(=O)CCCCCc2cc(O)cc(O)c2C(=O)O1 2356323446 KZOIYIPDPQANFM-JTQLQIEISA-N 292.331 2.719 0 1 CFAF CC1(C)C[C@@H]2OC(=O)CC[C@@]23C[C@@](C)(O)CC[C@H]13 2356465395 PZLWQZYBJYOJTN-PKIAMQTDSA-N 252.354 2.659 0 1 CFAF COc1ccc(CCNc2ncnc3ccc(N)cc23)cc1 3629252 USEXRSLGACJMSY-UHFFFAOYSA-N 294.358 2.875 0 1 CFAF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(C)o1 103539067 POSOOEYVGUIQNH-NPRUJURCSA-N 288.307 2.681 0 1 CFAF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc2ccccc2n1 101268555 GUYCQLRBHUURQF-BHTHQVBYSA-N 290.322 2.546 0 1 CFAF COC1=CC(=O)O/C1=C(/C=C/c1ccccc1)OC 102175014 KCEXIHRAFXNPSN-YHAURASGSA-N 258.273 2.645 0 1 CFAF C/C=C/c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3C(=O)NC(C)C)cc1 100107014 MKIVPXMWASKYOX-NPWVPDHWSA-N 299.418 2.577 0 1 CFAF CCOc1cc(NC(C)(C)CCCN)c2ncccc2n1 28826042 OOUVSRYJFRBYMV-UHFFFAOYSA-N 288.395 2.958 0 1 CFAF CC(C)(C)NC1=NCCN=C(c2ccccc2F)C1 28604268 TXIHCDWSKSEOIB-UHFFFAOYSA-N 261.344 2.805 0 1 CFAF CCCCN(N)c1nnc(-c2ccccc2C)s1 26377697 XUJYAXXPLNCPTJ-UHFFFAOYSA-N 262.382 2.994 0 1 CFAF c1cncc(-c2ccnc(NCCc3ccncc3)n2)c1 45339757 BOZPKYWLOAWQHT-UHFFFAOYSA-N 277.331 2.588 0 1 CFAF COc1cc2cc(Cc3ccc(O)cc3)c(=O)oc2cc1O 49033068 AEFXNURLAGMDLH-UHFFFAOYSA-N 298.294 2.804 0 1 CFAF biogenic,in-vitro OC1=Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1 238736783 HKUHOPQRJKPJCJ-OAHLLOKOSA-N 272.256 2.836 0 1 CFAF CC(=O)O[C@@H]1C[C@@H]2[C@H]([C@H](C(C)C)CC[C@@]2(C)O)[C@H]1C(C)=O 238742522 YNNDVHBDEXCUNO-QEOLJSOUSA-N 296.407 2.576 0 1 CFAF CC(=O)O[C@@H]1C(=O)CCC2=C[C@@H](O)C[C@H](C)[C@@]2(C)C=C1C 140251941 WWORHCJQQVZJAT-YJOCZYATSA-N 292.375 2.561 0 1 CFAF C/C=C1/CN2CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@@H]4CO 238732295 OPQGQQPUILZXAQ-UABCWSHVSA-N 294.398 2.673 0 1 CFAF COc1ccc2ccccc2c1[C@@H]1C[C@H]1NC(C)=O 95593978 RTTDJZBASRHBJW-ZIAGYGMSSA-N 255.317 2.840 0 1 CFAF Cc1ccccc1-c1nc2nc(O)nc(O)c2cc1C 587561574 ROBKPGQOEHXFKD-UHFFFAOYSA-N 267.288 2.720 0 1 CFAF CC(C)[C@](C)(O)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586890023 PGUASMHKVONKTF-LBPRGKRZSA-N 284.262 2.748 0 1 CFAF CC[C@@]1(C2=NCCS2)CC(=O)c2cc(C)cc(N)c2O1 587415918 ZFGHDEFBFWQZOW-HNNXBMFYSA-N 290.388 2.837 0 1 CFAF Cc1oc2c(c1-c1nc3ccnc(O)c3[nH]1)C(=O)CCC2 586904113 QBXUIWXYBVKACH-UHFFFAOYSA-N 283.287 2.751 0 1 CFAF CC(C)Oc1ccc2nc(C[C@H](C)N(C)C)[nH]c2c1 587190616 IUFWHRGBFONBNN-NSHDSACASA-N 261.369 2.843 0 1 CFAF Fc1cccc([C@H]2C[C@H]2c2nc3ncc[nH]c-3n2)c1F 587149783 BDZPICZYYKSGDO-RKDXNWHRSA-N 272.258 2.854 0 1 CFAF Fc1ccc2c(c1)-c1cc(n(Cc3cccnn3)n1)O2 587874448 BDOJHTDGXRBVHF-UHFFFAOYSA-N 268.251 2.633 0 1 CFAF Cc1ccc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c2n1 587042708 DQZUQZSXFYJOCO-UHFFFAOYSA-N 296.355 2.978 0 1 CFAF CN(C)c1ccc(-c2nc3c(Cl)ncc(F)c3[nH]2)nc1 587194232 BCCVFMYRRBLODY-UHFFFAOYSA-N 291.717 2.878 0 1 CFAF Cc1c(-c2nc3c(O)nccc3[nH]2)oc2c1[C@@H](O)CCC2 586903555 LHYDYXYCHVCKQA-VIFPVBQESA-N 285.303 2.602 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1cccnc1)[C@@H](C2)C3=O 587435592 HHCRAOMGZVKSHX-GUYCJALGSA-N 281.311 2.753 0 1 CFAF CCc1cnc2nc(O)n([C@@H](C)c3ccccc3)c2n1 114951509 KIXVDSJCGANIHE-JTQLQIEISA-N 268.320 2.704 0 1 CFAF Cc1nc2ccccc2n1Cc1nc2cccc(O)c2[nH]1 1772577470 CIVHCIRQRPMBGK-UHFFFAOYSA-N 278.315 2.975 0 1 CFAF Cc1cccc2oc(=O)c3c(c12)O[C@H]1C=CC[C@H]1C3 14618187 ZLPWVQWLQVNJPL-JQWIXIFHSA-N 254.285 2.981 0 1 CFAF O=c1c(Cc2ccc(O)cc2)coc2cc(O)ccc12 13797601 FFIVSEXPYVNBHF-UHFFFAOYSA-N 268.268 2.795 0 1 CFAF COc1ccc([C@H](CN(C)C)C2(O)CCCC2)cc1 26742083 FQBGTANVOKCHQY-HNNXBMFYSA-N 263.381 2.646 0 1 CFAF CCO/C=C/[C@@H](C)[C@@]1(C(=O)OCC)CCCCC1=O 1630009 CDIRTRKWIBIRGG-QSKJXDJHSA-N 268.353 2.865 0 1 CFAF N=c1oc2c(O)cccc2cc1C(=O)Nc1cccc(O)c1 3834086 ZWHZPZUQLRMMME-UHFFFAOYSA-N 296.282 2.576 0 1 CFAF COC(=O)c1cc2occc2n1Cc1cn2ccccc2n1 6739428 AMWNCANUOKHVOL-UHFFFAOYSA-N 295.298 2.717 0 1 CFAF C[C@@H]1[C@@H]2Cc3ccc(C(N)=O)cc3[C@]1(C)CCN2CC1CC1 100877636 FAVQVALXVLMHLE-JLBUNGTFSA-N 298.430 2.720 0 1 CFAF C[C@H]1CCC/C=C\[C@@H]2CC(=O)C[C@H]2C(=O)CCC(=O)O1 29223286 SXLRTDFNLPCKBK-DGQBXJIASA-N 278.348 2.603 0 1 CFAF CCNc1ccc2c(c1)N1CCN(CC3CC3)[C@H](C2)C1 27844627 FBMBHCNOECGFGN-MRXNPFEDSA-N 271.408 2.575 0 1 CFAF c1nc(CCCn2cc(C3CCCCC3)nn2)c[nH]1 66114214 DFXVOYQWLICYQI-UHFFFAOYSA-N 259.357 2.682 0 1 CFAF CC(C)[C@@H]1CC[C@]2(C)[C@@H](O)CCC(C(=O)O)=C[C@@H]12 2356705201 AFZYVLSAQGQODC-ABHRYQDASA-N 252.354 2.841 0 1 CFAF CCc1cc(Cc2cnc(N)nc2N)cc([C@H](C)CC)c1N 27107812 GQDUADLPQGIRGI-SNVBAGLBSA-N 299.422 2.890 0 1 CFAF CC(C)(C)O[C@@H]1Oc2ccccc2-c2nc(NN)ncc21 73240379 WJVDIWQRDUFPKF-ZDUSSCGKSA-N 286.335 2.635 0 1 CFAF COc1ccc(-c2cnc3c(N)snc3c2)cc1OC 223260239 OKVAXXJCIIWHTB-UHFFFAOYSA-N 287.344 2.958 0 1 CFAF COc1ccc(CNC(=O)c2cc(=S)c(O)co2)cc1 40974069 LEYALAQCHLCNCR-UHFFFAOYSA-N 291.328 2.653 0 1 CFAF O=C(Nc1cc(Nc2cccc3c2OCO3)ccn1)C1CC1 653887792 FATJMJQRKFTGNE-UHFFFAOYSA-N 297.314 2.902 0 1 CFAF N=c1[nH]ccc2nc([C@H]3Cc4ccccc4S3)[nH]c12 587042752 LTKPWEJSAKVCKO-LLVKDONJSA-N 268.345 2.760 0 1 CFAF CN(C)CCOc1ccc2nc(C3CCC3)[nH]c2c1 586884167 LDECDIBSXIGQQJ-UHFFFAOYSA-N 259.353 2.771 0 1 CFAF COc1cc(C)c(N)c(-c2nc3cc4c(cc3[nH]2)OCO4)c1 587249139 JLGJFDDYVVVZHS-UHFFFAOYSA-N 297.314 2.858 0 1 CFAF Nc1ccc2oc(-c3nc4cnc(Cl)[nH]c-4n3)cc2c1 587251332 CYBSYJJRZRPFNF-UHFFFAOYSA-N 285.694 2.953 0 1 CFAF COc1ccc2nc(CCc3ccccc3F)[nH]c2n1 587150456 QOFNSAPZNGRJRC-UHFFFAOYSA-N 271.295 2.891 0 1 CFAF Nc1c2c(nc3ccccc13)CCC[C@H]2N1CCOCC1 11686293 CJHXIILUIKWHTD-OAHLLOKOSA-N 283.375 2.527 0 1 CFAF COc1cccc(OC)c1CN[C@H]1COc2ccccc2C1 14949501 NEKDFVUTEYKZLG-CQSZACIVSA-N 299.370 2.797 0 1 CFAF CCC[C@@]1(C(=O)OCC)CC[C@@]2(c3ccccc3)O[N@]12 1857536608 KRKSCNCTBHZUGE-YESZJQIVSA-N 275.348 2.982 0 1 CFAF c1nc(N2CCOCC2)c2cc(-c3ccoc3)ccc2n1 4265816 DDWRBINTQCOSJS-UHFFFAOYSA-N 281.315 2.726 0 1 CFAF COc1ccccc1[C@H]1NC(=O)c2ccccc2O1 4997890 HFHAZCYMJMSBOQ-HNNXBMFYSA-N 255.273 2.516 0 3 CFAF Sc1[nH]nc(SCc2ccccc2)c2ncnc1-2 102883035 XYGTUDFDBCLRPZ-UHFFFAOYSA-N 274.374 2.886 0 1 CFAF C[C@H]1C(=O)Nc2cc3[nH]c(-c4cccnc4)nc3cc21 101475031 SZLNLLUGJTVTCX-MRVPVSSYSA-N 264.288 2.681 0 1 CFAF Cc1cc(C(=N)N)ccc1-c1cc2cc(C(=N)N)ccc2[nH]1 66113062 WMNOADXUDNUMIO-UHFFFAOYSA-N 291.358 2.711 0 1 CFAF CCC[C@@H]1Cc2c3c(c(C)c(C)c2C1=O)O[C@H](C(=O)O)C3 28001039 YFPVFXGNKSWLKA-MFKMUULPSA-N 288.343 2.847 0 1 CFAF C[C@@]1(c2ccccc2)C(=O)Nc2ccccc2C1=O 28976880 YUZYUJAXSZJRBF-INIZCTEOSA-N 251.285 2.779 0 1 CFAF CCc1[nH]c(=O)c(C(C)=O)c2c1C[C@H](c1ccncc1)CC2 27106744 WGXIXEZFWCYKMF-CYBMUJFWSA-N 296.370 2.807 0 1 CFAF Cc1ccc(C)c(NC(=S)NCC(C)(C)C(=O)O)c1 26479550 MEVDWHABFWBBRI-UHFFFAOYSA-N 280.393 2.701 0 1 CFAF CCOc1ccccc1-c1nc(Cn2ccnc2)co1 72183901 YFGSGMMRUKPKDT-UHFFFAOYSA-N 269.304 2.985 0 1 CFAF Cc1noc(-c2ccc(C(=O)C(F)(F)F)s2)n1 40401237 PHNUPEDOQIENBU-UHFFFAOYSA-N 262.212 2.852 0 1 CFAF Cc1cc(-c2ccc(O)cc2)c2c(N)c(C(N)=O)sc2n1 45290497 ISERUATXGAEFCC-UHFFFAOYSA-N 299.355 2.658 0 1 CFAF CSc1cc(/C=C/c2ccc(O)cc2)nc(N)n1 96914143 WSSWTZKODPCZAQ-GORDUTHDSA-N 259.334 2.657 0 1 CFAF O=C(O)c1ccc(-c2cc(=O)c3c(O)cccc3o2)cc1 96922786 QQHLULOHMMCVMA-UHFFFAOYSA-N 282.251 2.864 0 1 CFAF COC(CSc1nc2ccc(O)cc2s1)OC 96907059 BQLWKYRQWWESBC-UHFFFAOYSA-N 271.363 2.713 0 1 CFAF CN1CC[C@@]23c4c5cccc4O[C@H]2CCC[C@@H]3[C@H]1C5 253733914 HWXKCCDLLDWFIH-LGWLGOQQSA-N 255.361 2.746 0 1 CFAF CCOC(=O)[C@@H](Cc1cc2c3c(cccc3n1)CC2)C(C)=O 587211014 AYBASLLEZZACBS-HNNXBMFYSA-N 297.354 2.644 0 1 CFAF Oc1cccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc12 587176895 VNQHVOGZGNEDIL-UHFFFAOYSA-N 268.251 2.951 0 1 CFAF NC(=O)Nc1cccc(-c2nc3cc(Cl)ncc3[nH]2)c1 587242591 UZTACQSRMBDBNH-UHFFFAOYSA-N 287.710 2.769 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](c1ccncn1)CC2=O 587486547 CLMOLLDDXFRUFH-HNNXBMFYSA-N 284.315 2.841 0 1 CFAF COC(=O)Cc1ccccc1-c1nc2cccc(O)c2[nH]1 587783734 ZWGJCLSBOIXNDJ-UHFFFAOYSA-N 282.299 2.651 0 1 CFAF Oc1nc(O)c2ccc([C@H]3C[C@@H]3c3ccc(F)cc3)nc2n1 587369673 NCHHPLSWJHZRIA-NEPJUHHUSA-N 297.289 2.846 0 1 CFAF O=C(c1cocn1)n1nc2cc1Oc1ccc(F)cc1-2 587876010 XXTXDFXCWYKFST-UHFFFAOYSA-N 271.207 2.471 0 1 CFAF CCSC[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587454485 ZZJZSEICOMRJDA-CMPLNLGQSA-N 264.346 2.564 0 1 CFAF C[C@@H](C(=O)O)N(OCc1ccccc1)C(=O)c1ccccc1 1772637883 CMAAPHZPXMUNJZ-ZDUSSCGKSA-N 299.326 2.734 0 1 CFAF Cc1coc2cc3c(cc12)CO[C@@H]1C[C@H]3O[C@]1(C)O 14722607 GMPPSWCDYBPXEV-KFWWJZLASA-N 260.289 2.810 0 1 CFAF COc1cc(OCC=C(C)C)cc(O)c1C(C)=O 14774840 FEDAZMOOOCCMEP-UHFFFAOYSA-N 250.294 2.948 0 1 CFAF COc1ccccc1[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 14806218 IOZGPYPDGKRGMG-AWEZNQCLSA-N 286.283 2.813 0 1 CFAF CN1CCc2cc3c(cc2[C@H]1Cc1ccc(O)cc1)OCO3 14926915 VTOOEPLHEDZMBL-MRXNPFEDSA-N 297.354 2.893 0 1 CFAF C[C@H]1CN(C)c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2O1 14967297 SCCOVQTYXODQJX-ZETCQYMHSA-N 298.264 2.764 0 1 CFAF C[C@H](CN1CCC(CCO)CC1)n1cnc2ccccc21 19744149 RNYJMEZOSZEOCJ-CQSZACIVSA-N 287.407 2.692 0 1 CFAF CC(=O)c1c(O)nc2ccc(C(F)(F)F)cc2c1O 1857635270 SXQZNRQYOSXYLN-UHFFFAOYSA-N 271.194 2.867 0 1 CFAF CCOC(=O)c1cccc(-c2nc3ccccc3[nH]2)n1 27855422 HCOOOSLIPXFGRO-UHFFFAOYSA-N 267.288 2.802 0 1 CFAF C1=C[C@@H]2C[C@@H]3N(CC[C@]34CNc3ccccc34)C[C@H]2CO1 2356347947 SSEMHSZOXZYLBH-IDCJVQTKSA-N 282.387 2.604 0 1 CFAF O=C(NO)Nc1ccc(OCc2ccccc2)cc1 29048953 PQXBDBGXKAZUEX-UHFFFAOYSA-N 258.277 2.776 0 1 CFAF in-vivo COc1ccc2c(c1)CCc1nn(-c3ccccn3)c(O)c1-2 101463440 HEZMRDOGJVRBQC-UHFFFAOYSA-N 293.326 2.747 0 1 CFAF Cc1cc2n(c1C(=O)c1ccccc1)CC[C@@H]2C(=O)O 27903018 WKLDPSRLGSAAPU-LBPRGKRZSA-N 269.300 2.599 0 1 CFAF Nc1ccc(-c2cc(=O)c3c(O)cccc3o2)cc1 101680038 QLIKMPGMGZHYAJ-UHFFFAOYSA-N 253.257 2.748 0 1 CFAF CC(=O)N(C)CCc1coc2ccc3c(c12)CCCO3 103233517 COEIQDDBGCDZGL-UHFFFAOYSA-N 273.332 2.779 0 1 CFAF O=C1COC(c2ccc3[nH]c(-c4ccncc4)cc3c2)=CN1 26732949 IPTNFGIFSWVJCP-UHFFFAOYSA-N 291.310 2.675 0 1 CFAF COc1cc2c(c(OC)c1C(C)=O)C[C@@H](C(C)C)O2 103183118 ONHDBGOEPVCRJR-NSHDSACASA-N 264.321 2.866 0 1 CFAF Oc1ccc(-n2cc(Cc3ccccc3)nn2)cc1 64573259 ZSQDQVRTOOCIEW-UHFFFAOYSA-N 251.289 2.564 0 1 CFAF in-vivo O=C(O)c1c(Cc2ccccc2)c2ccccc2[nH]c1=O 78938922 LPQIYUCWQOQFCS-UHFFFAOYSA-N 279.295 2.817 0 1 CFAF in-vitro C[C@]12CC[C@H]3[C@@H](C(=O)C=C4CCCC[C@@]43O)[C@@H]1CCC2=O 34400766 GJRBWTHMHQNJME-MZDBXJLNSA-N 288.387 2.812 0 1 CFAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O 45317985 DOFRSNSWULWZJS-KLIQYNMKSA-N 289.419 2.645 0 1 CFAF CSc1sc(-c2cc[nH]n2)c2c1C(=O)NC[C@@H]2C 145632287 HJNQBCIFYVLKQF-LURJTMIESA-N 279.390 2.707 0 1 CFAF C/C=C(/C)C(=O)OC/C=C/c1cc(OC)c(O)c(OC)c1 238762062 GYADQQUPUOFTDO-WCFMJWFXSA-N 292.331 2.932 0 1 CFAF CCCCc1ccc(COC(=O)N[C@H]2C(=O)O[C@H]2C)cc1 299838975 RPWKNJCPMJBHAS-SMDDNHRTSA-N 291.347 2.569 0 1 CFAF O=C1CCC[C@H](c2nc3cc4c(cc3[nH]2)OCC(=O)N4)CC1 586883593 CKHHOCUDBMUKFI-VIFPVBQESA-N 299.330 2.511 0 1 CFAF O=C(Nc1ccccc1Cl)c1nc2ncccc2[nH]1 587060993 YKIJDMRYTOSZEX-UHFFFAOYSA-N 272.695 2.864 0 1 CFAF COc1cc(C)c(C)cc1-c1ccc2c(O)nc(O)nc2n1 587558627 AZTWJAREUBQJAY-UHFFFAOYSA-N 297.314 2.728 0 1 CFAF CCCC[C@H]1CCc2cc3c(O)nc(O)nc3nc21 587561197 FFIBOJNWNNULOE-QMMMGPOBSA-N 259.309 2.656 0 1 CFAF Cc1ccnc2[nH]c(/C=C3\OC(=O)c4ccccc43)nc12 586908086 YSWRRYYGOUYVTL-WQLSENKSSA-N 277.283 2.935 0 1 CFAF Cc1nc2[nH]c([C@@](C)(O)C(C)C)nc2cc1Br 586885672 CQFITPVCORUPMW-LBPRGKRZSA-N 298.184 2.892 0 1 CFAF Cc1ccc(C)c2[nH]c([C@H](O)c3cccc(O)c3)nc12 586888231 BYGKVJFVJGPBRA-OAHLLOKOSA-N 268.316 2.967 0 1 CFAF COC(=O)c1cc2nc(O)c3ccccc3c2s1 1772589399 LJYCTZIAPHJGMJ-UHFFFAOYSA-N 259.286 2.942 0 1 CFAF CN(C)C1CN([C@H]2c3ccccc3COc3ccccc32)C1 169335429 ZTGASNKPIUZNQB-IBGZPJMESA-N 294.398 2.914 0 1 CFAF COC[C@@]12Cc3ccc(O)cc3[C@](C)(CC[C@@H]1N(C)C)C2 169361035 LMPYGANIBIHENG-KSZLIROESA-N 289.419 2.953 0 1 CFAF COc1ccc2c3c1O[C@H]1CCC[C@H]4[C@@H](C2)N(C)CC[C@]314 1597197 ZJWPQUSUXBOTPF-SCGCMHLBSA-N 285.387 2.754 0 1 CFAF CC(=O)N1CCC2(CCCN(Cc3ccccc3)C2)CC1 4238086 MOZJPBCWUAUYTD-UHFFFAOYSA-N 286.419 2.911 0 1 CFAF CN(C)C(=O)C=C(OC(=O)c1ccccc1)c1ccccc1 2356483166 YTRCWGCAHIZEAO-UHFFFAOYSA-N 295.338 2.973 0 1 CFAF Cc1c(Cc2ccccc2)[n+](=O)c2ccccc2n1O 100178060 QQCHSIHRFZVZMM-UHFFFAOYSA-N 267.308 2.692 0 3 CFAF COC[C@]12N[C@@H](Cc3ccccc31)c1ccccc12 100660039 CGNHFLLBSFJUGU-IRXDYDNUSA-N 251.329 2.777 0 1 CFAF C[C@@H](N)c1csc(Nc2nccc(C(F)(F)F)n2)n1 61895893 GLYVQNYMHVYQOW-RXMQYKEDSA-N 289.286 2.715 0 3 CFAF O=C(COC(=O)[C@H]1C[C@H]2C=C[C@@H]1C2)Nc1ccccc1F 104103645 GZMPFMLWRQFUSU-TUAOUCFPSA-N 289.306 2.520 0 1 CFAF c1cc(-c2ccc(N3CCOCC3)cc2)n2ccnc2c1 61930966 XIKGZWPVDLDHIE-UHFFFAOYSA-N 279.343 2.838 0 3 CFAF COc1cc2c3c(c1O)C(=O)O[C@H]3[C@@H](C(C)C)CC2 2356499810 KOVUJUAMDOMNJU-OTYXRUKQSA-N 262.305 2.831 0 1 CFAF CN1C(=N)[C@](O)(Cc2ccccc2)c2ccccc21 3156333 OGZSAABVOPJAHY-INIZCTEOSA-N 252.317 2.544 0 1 CFAF biogenic Cc1cc(N(O)[C@@H]2C=C[C@H](OC(C)(C)C)C2)no1 73157684 CAYUBHFKPQIVSZ-MNOVXSKESA-N 252.314 2.691 0 1 CFAF Cc1cc(C)nc(Nc2ccc([C@H]3CCNC3)cc2)n1 149947399 SVHDGVHSKWSPJW-AWEZNQCLSA-N 268.364 2.914 0 1 CFAF COc1ccc(-c2nc3c(O)nc(C)nc3s2)cc1 299866473 VVORYVGZKNPDGW-UHFFFAOYSA-N 273.317 2.776 0 1 CFAF C[C@H](F)[C@H](N)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587124275 MFBYJIIAUVTZNT-AYVTZFPOSA-N 299.353 2.752 0 1 CFAF COc1c(C)cc(C)cc1-c1ccc2c(O)nc(O)nc2n1 587558563 ANKHQXUJDCRMLD-UHFFFAOYSA-N 297.314 2.728 0 1 CFAF Oc1cccc2nc(C(F)(F)c3ccccn3)[nH]c12 587090171 MUOSGFJVEBOTNX-UHFFFAOYSA-N 261.231 2.804 0 1 CFAF COc1nccc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c12 586885801 NZBWKSYAJFYUFR-VWYCJHECSA-N 283.331 2.605 0 1 CFAF COc1ccc2nc(Cc3sc(C)nc3C)[nH]c2n1 587013054 YPLYHUYULFQGMO-UHFFFAOYSA-N 274.349 2.631 0 1 CFAF CC(=O)Nc1ncc(SC[C@@H](O)CC(C)(C)C)s1 13490935 QFGNCJUAOZIJDN-VIFPVBQESA-N 288.438 2.991 0 1 CFAF C=Cc1ccc([C@H]2C[C@@H]3CC[C@@H](N3)[C@H]2C(=O)OC)cc1 13759280 KHYFCJWXLVZFLY-JJXSEGSLSA-N 271.360 2.727 0 1 CFAF Cc1cc(/C=C/C(=O)Nc2ccccc2)c(C(=O)O)[nH]1 13778833 OMZPRJPRFAKIMR-BQYQJAHWSA-N 270.288 2.673 0 1 CFAF Cc1nccn1C[C@@H]1CC[C@@H]2[C@H](C1=O)c1ccccc1N2C 13818227 JIMWRSFMRULTNX-IAOVAPTHSA-N 295.386 2.773 0 1 CFAF CCCCc1cc(C2=NO[C@H](C(=O)OC)C2)c(Cl)[nH]1 169729442 CUYBHAIHJPSDDD-NSHDSACASA-N 284.743 2.677 0 1 CFAF CCCN1CCO[C@H]2c3c(ccc4[nH]ccc34)OC[C@H]21 1857587964 KCKPUTXKJBHHRZ-CZUORRHYSA-N 272.348 2.712 0 1 CFAF Cc1cc(=O)cc2c3c1C[C@H]1[C@@H]3[C@]3(C=C2)C(=O)O[C@@H]1C[C@@H]3C 1857616025 COPYYMNAMQESON-MAUOOORJSA-N 294.350 2.590 0 1 CFAF Cc1ccc2c(c1)nc(N)n2C[C@@H](O)c1ccccc1 51023995 NTEYKSKXVSABKS-OAHLLOKOSA-N 267.332 2.661 0 1 CFAF CCN(CCCCO)[C@@H]1CCc2cc(OC)ccc2C1 28764955 FIVSQMBVXQDIGG-MRXNPFEDSA-N 277.408 2.647 0 1 CFAF CCc1ccc(OC[C@@H](O)[C@H](C)NC(C)(C)C)cc1 28227094 ILFYZXRVILFBCR-SWLSCSKDSA-N 265.397 2.765 0 1 CFAF C[C@@H]1CCC2=C(C(=O)O)CC[C@@H](C(C)(C)O)C[C@H]21 2356579608 GNHYOXJPHJUUIT-BREBYQMCSA-N 252.354 2.985 0 1 CFAF COC(=O)C1=CC[C@H]([C@](C)(O)CC(=O)CC(C)C)CC1 2356691540 NXVYWHPRUJVWDG-XJKSGUPXSA-N 282.380 2.642 0 1 CFAF C[C@]12CCC(=O)C[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 2356699114 DNACOAAHNFXRTM-PYCKYVDESA-N 292.419 2.686 0 1 CFAF CCN[C@@H](C)[C@H](O)COc1cccc2ccccc12 28767310 FTEJULLHBGDCCA-SWLSCSKDSA-N 259.349 2.578 0 1 CFAF CON(C)C(=O)c1ccccc1N(C)C(=O)OC(C)(C)C 61948225 XZTBBTMOZWDELD-UHFFFAOYSA-N 294.351 2.691 0 3 CFAF Clc1ccccc1Oc1ncccc1N1CCNCC1 45367772 LVSZWRFDLAUNPF-UHFFFAOYSA-N 289.766 2.937 0 1 CFAF in-vivo CN1C(=N)N[C@@](c2ccccc2)(c2ccc(Cl)cc2)C1=O 45245813 UKYITZHCXATSAD-INIZCTEOSA-N 299.761 2.580 0 1 CFAF Cc1c(C(=O)O)oc2cccc(OCCN3CCCC3)c12 98082978 TXMJXGXQKNPUMO-UHFFFAOYSA-N 289.331 2.914 0 1 CFAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(Cl)nc2[nH]1 587961126 DHFMMJDZEQQYLC-YUMQZZPRSA-N 263.728 2.769 0 1 CFAF N=C(N)c1ccc2nc(-c3ccoc3C3CC3)[nH]c2c1 586901529 MDXZMADBZMDFRJ-UHFFFAOYSA-N 266.304 2.984 0 1 CFAF Cc1oc2c(c1-c1nc3c(N)ccnc3[nH]1)C(=O)CCC2 586903231 HAPLXXZAAFSHLW-UHFFFAOYSA-N 282.303 2.628 0 1 CFAF COc1cc2nc([C@@H]3CC(=O)OC3(C)C)[nH]c2cc1C 586910121 NWYFPIAYCHMGJC-VIFPVBQESA-N 274.320 2.689 0 1 CFAF CN(C)c1ccc(-c2nc3c(F)c(F)ccc3[nH]2)nc1 587195640 YVFQAJSUCAZPNV-UHFFFAOYSA-N 274.274 2.969 0 1 CFAF N=c1[nH]c2nc(CC3CCCCCC3)nc-2c(Cl)[nH]1 587959964 CWCOWDHXOKSRDN-UHFFFAOYSA-N 279.775 2.883 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3C=CC[C@@H]31)O2 587409460 VAQMVPFWDLIJDJ-PKWAYOAASA-N 255.317 2.877 0 1 CFAF Cc1[nH]c2cc(F)ccc2c1C(=O)Nc1ncccn1 587635547 NFHWQTAFMFSRMF-UHFFFAOYSA-N 270.267 2.658 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CC[C@H]1CCCO1)O2 587408019 GJLPGEOCHLYFKA-NEPJUHHUSA-N 275.348 2.870 0 1 CFAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(=N)[nH]cc3[nH]2)cc1 586890282 NZRYFKOMOXOXST-MEBBXXQBSA-N 282.347 2.516 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)nc1)[C@@H](C2)C3=O 587437307 ZGVRZBWOQLHWBS-YVEFUNNKSA-N 297.310 2.588 0 1 CFAF CC[C@@H]1OCCC[C@H]1c1nc2ccnc(OC)c2[nH]1 586909463 FBCSQYSZRWEXFL-KOLCDFICSA-N 261.325 2.639 0 1 CFAF Clc1ccc(C2=C[C@H](c3nc4cncnc4[nH]3)ON2)cc1 587075700 HBWQXWXNTHMIQA-GFCCVEGCSA-N 299.721 2.623 0 1 CFAF CN1CCN2C[C@H](c3ccc(N)cc3)c3ccccc3[C@H]2C1 167816564 MQYSOFADODEXLT-RTBURBONSA-N 293.414 2.703 0 1 CFAF CC1(C)CC=CCC[C@H](O)[C@H](O)CCC(C)(C)C1=O 254136820 BEWPNOHISJLCQR-QWHCGFSZSA-N 268.397 2.850 0 1 CFAF COc1ccccc1-c1nc2ccc(C(=N)N)cc2[nH]1 14954133 FSIIIUKPMNRIFF-UHFFFAOYSA-N 266.304 2.523 0 1 CFAF CC(=O)[C@H]1C(C)=Nc2ncnn2[C@@H]1c1ccc(Cl)cc1 169687147 ZVEDMXPXXJJTCR-CHWSQXEVSA-N 288.738 2.832 0 1 CFAF COc1ccc(-c2cc(=O)c3c(C)ccnc3[nH]2)cc1 5504155 RDWYUHASFATBBC-UHFFFAOYSA-N 266.300 2.907 0 1 CFAF CCCN1CCC[C@@]12COc1cccc(OC)c1C2 13759907 VNEQQDVYANFDGN-MRXNPFEDSA-N 261.365 2.875 0 1 CFAF CC(C)=CCC(=O)[C@H](C)CCC[C@]1(C)CO[C@@H](CO)CO1 27441286 UTFITFNGJUFYBJ-HLLBOEOZSA-N 298.423 2.885 0 1 CFAF CCCc1cc(O)n2nc(-c3ccc(C)cc3)nc2n1 6593776 NSDIDGPQOKQAII-UHFFFAOYSA-N 268.320 2.758 0 1 CFAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCSC)[C@H]1C 100038146 VITGEYPWEUOGJP-WBGQNJONSA-N 299.392 2.693 0 1 CFAF O=c1[nH]nc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12 113387429 WCKSPUOMUKLNAH-UHFFFAOYSA-N 295.220 2.588 0 1 CFAF CC(C)(CC[C@H]1COC(N)=N1)c1ccc(F)cc1 117260916 MTTKSYDKWRXGJF-LBPRGKRZSA-N 250.317 2.597 0 1 CFAF COc1ccc(-c2cnc(NC(=O)NC(C)C)n2C)cc1 21941802 MLJXMPCPPFVELP-UHFFFAOYSA-N 288.351 2.626 0 1 CFAF COC(=O)c1ccc[n+]2c(O)c(-c3ccccc3)sc12 29399808 CDFSCOYUSWCNCW-UHFFFAOYSA-O 286.332 2.646 0 1 CFAF C[C@H]1CCC[C@@H](C)[C@@H](O)C=C[C@](C)(O)CCC(=O)O[C@H]1C 2356727455 OKJSCVKMKIRSLR-PFFSRIRZSA-N 298.423 2.823 0 1 CFAF COc1cc2[nH]c3ncnc(Cl)c3c2cc1OC 34265674 DJEHYLVMWCPRFJ-UHFFFAOYSA-N 263.684 2.782 0 1 CFAF c1cnc2nc(N3CCC(N4CCCCC4)CC3)oc2c1 73314105 KBTIIRRRLNQBTC-UHFFFAOYSA-N 286.379 2.678 0 1 CFAF CC1(C)CN=C2N(C1)c1ccccc1[C@]2(O)C1CC1 40641160 YEECJJXZYFPEAS-MRXNPFEDSA-N 256.349 2.543 0 1 CFAF COC[C@@H](C)Nc1cc(-c2ccc(C)cc2)ncn1 82161553 ZXAZQLOZAHFIQA-GFCCVEGCSA-N 257.337 2.899 0 1 CFAF COc1c(O)ccc(CCc2ccc(O)cc2)c1OC 238743477 AUEWMLUSZXXWOL-UHFFFAOYSA-N 274.316 2.900 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccncc1)O2 587395625 SRGRRFLSPLEQDB-INIZCTEOSA-N 268.316 2.853 0 1 CFAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(C(=O)O)c(F)cc2[nH]1 587963629 PMJVVTKJZAOUMY-JGVFFNPUSA-N 290.294 2.558 0 1 CFAF CCOc1cc(-c2nc3cc(=N)[nH]cc3[nH]2)ccc1C 587778039 IARLBPKMSQYXHH-UHFFFAOYSA-N 268.320 2.745 0 1 CFAF Brc1nccc2nc(C3CCC3)[nH]c12 586884671 SCBAAMHBXJYROQ-UHFFFAOYSA-N 252.115 2.988 0 1 CFAF CCn1c(O)c(N)c2cc(Br)ccc21 957575439 AKOROMDGCBGDIE-UHFFFAOYSA-N 255.115 2.712 0 1 CFAF CCCN1[C@H](C)Cc2ccccc2[C@@]12CC(=O)N[C@H](C)C2 963231435 RAJHFEAUTZITEW-HBUWYVDXSA-N 286.419 2.837 0 1 CFAF CN(C)CCSc1cccc(C2(O)CCCCC2)n1 13589374 NJQKIZFGISMHHC-UHFFFAOYSA-N 280.437 2.887 0 1 CFAF c1cc2c(cc1CN[C@H]1[C@H]3[C@H]4C[C@H]5[C@H]3C[C@@H]3[C@@H]5[C@@H]4[C@H]13)OCO2 169299920 VGYQUDBPYFLBLJ-YRKIHPDXSA-N 295.382 2.651 0 1 CFAF C[C@]12CC[C@@H]3C[C@@H](CCO)CC[C@H]3[C@H]1CC[C@@H]2O 169372340 KJWKZMUYYBEDRU-JQOWZUPLSA-N 252.398 2.972 0 1 CFAF N#CN1C[C@H]2CCN(c3ncc(-c4ccccc4)s3)[C@H]2C1 1857535029 FSHHHOJFBYRTAO-KGLIPLIRSA-N 296.399 2.802 0 1 CFAF Cc1noc2cc(N=c3[nH][nH]c4cccnc34)ccc12 1857563212 FWMZMFCZFSONGU-UHFFFAOYSA-N 265.276 2.573 0 1 CFAF COc1ccccc1S(=O)(=O)/C=C/c1cccnc1 205696266 KBVJGHRVSMYONJ-CSKARUKUSA-N 275.329 2.535 0 1 CFAF OC(c1ccccc1)(c1ccccc1)c1cncnc1 28768897 PJYRZTDRBOVVTN-UHFFFAOYSA-N 262.312 2.761 0 1 CFAF O=Cc1c(N2CCCC2)oc2ccc(Cl)cc2c1=O 28571824 VLISSBUIHJFDEB-UHFFFAOYSA-N 277.707 2.859 0 1 CFAF COc1cc(CCCN)c(OC)c2c1[C@@H]1CC[C@@H]2C1 100901152 NYKXWXWWQWYQMF-GHMZBOCLSA-N 261.365 2.960 0 1 CFAF COC(=O)C1=C(c2ccc(Cl)nc2)C[C@@H]2CC[C@H]1N2C 26178757 BNVFUBQIRRIJTF-CMPLNLGQSA-N 292.766 2.528 0 1 CFAF CC1(C)C[C@H]2OC(=O)CC[C@]23C[C@@](C)(O)CC[C@H]13 2356465394 PZLWQZYBJYOJTN-HKCMKHECSA-N 252.354 2.659 0 1 CFAF CC(=O)O[C@@H]1CC[C@](C)(O)[C@@H]2[C@H](CC(C)(C)O)CC[C@@]12C 2356538705 NPBYTIHOCDRNRJ-ZQQZQOJVSA-N 298.423 2.656 0 1 CFAF COc1ccc(-n2cc(-c3ccc(OC)c(O)c3)nn2)cc1 28567544 XQGGRPSMIDIESQ-UHFFFAOYSA-N 297.314 2.657 0 1 CFAF OC1=C(c2ccccc2)N[C](I)C=C1 2356820239 XRMXBWCQWJPGLY-UHFFFAOYSA-N 298.103 2.997 0 1 CFAF COc1cc2c(cc1OC)C(C)=[N+]([O-])[C@@H](c1ccccn1)N2 28766437 RVIYHDFNQBIZOY-INIZCTEOSA-N 299.330 2.542 0 1 CFAF COc1cc(-c2cc3ccc(O)cc3oc2=O)ccc1O 73167056 HUYVWFOCSJODTQ-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF C/C=C(/C)C(=O)OC/C=C/c1ccc(O)c(OC)c1 238753302 OEGQDBRSUCLZII-AHJSKDGKSA-N 262.305 2.923 0 1 CFAF CC(C)(C)N1C(=O)C=C(Cl)[C@@]1(O)c1ccccc1 653876701 RUQXJZGRIUTVEP-AWEZNQCLSA-N 265.740 2.595 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1cscn1)[C@@H](C2)C3=O 587450063 DEYQEAJPOLNMPS-BONVTDFDSA-N 287.340 2.815 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C[C@H]1CCOC1)O2 587407999 GGXIQTYJDPZVPP-BDJLRTHQSA-N 275.348 2.728 0 1 CFAF CCOC(=O)[C@@H]1[C@@H]2Cc3nc4cccc5c4c(c3[C@H]21)CC5 587214769 UJWSJKDKCZLNTL-ZTFRIQLXSA-N 279.339 2.782 0 1 CFAF CC(=O)N[C@H](Cc1nc2cnccc2[nH]1)c1ccc(C)cc1 587216632 IEGCSDCAKAXCCD-OAHLLOKOSA-N 294.358 2.686 0 1 CFAF CC[C@@H](Oc1ccccc1F)c1nc2ncc[nH]c-2n1 587155588 MNYINETYUXEZSK-SNVBAGLBSA-N 272.283 2.974 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1ccnc(F)c1)[C@@H](C2)C3=O 587428033 MTJIBJYFPCSSHW-SJCJKPOMSA-N 299.301 2.892 0 1 CFAF Nc1cncc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587254715 WDRGJDXRVTVVHX-UHFFFAOYSA-N 290.229 2.529 0 1 CFAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1ncc(C)o1 963057156 LZTPNPDOKLAQQT-INIZCTEOSA-N 295.342 2.775 0 1 CFAF CCCCNc1nc(N)nc2cc(F)c(F)cc12 205022300 BAYLDHVVLFDIAW-UHFFFAOYSA-N 252.268 2.702 0 1 CFAF Nc1nc(N)c(-c2ccc(O)cc2)cc1-c1ccc(O)cc1 1772625307 HWHBWHVPDARATH-UHFFFAOYSA-N 293.326 2.991 0 1 CFAF O=c1[nH]c2ccccc2n2cc(-c3ccccc3)nc12 13738406 GDSGDCILCQPFHZ-UHFFFAOYSA-N 261.284 2.843 0 1 CFAF COc1ccc(/C=C/c2cc(OC)cc(=O)o2)c(OC)c1 14886656 AKMMSYGGUVGJEE-FNORWQNLSA-N 288.299 2.836 0 1 CFAF endogenous,in-man CN(C)[C@@H](c1ccccc1Cl)C1COCOC1 169323649 KCVNXOIURMBZIP-CYBMUJFWSA-N 255.745 2.563 0 1 CFAF CC(=O)NCCc1cccc2ccc3occ(O)c3c12 169721594 HSJUTONJZWWMOO-UHFFFAOYSA-N 269.300 2.970 0 1 CFAF Cc1ccc2c(c1)N(Cc1ccncc1)C(=O)[C@H](C)O2 1328379 ONEDFYLJLGRBPQ-LBPRGKRZSA-N 268.316 2.704 0 3 CFAF C=C(OCC)c1ncnc2c1ncn2Cc1ccccc1 6385488 IKNXIBQIVVRYJU-UHFFFAOYSA-N 280.331 2.882 0 1 CFAF Cn1c(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3)cc2ccccc21 103235770 CBUHKJLQRNBVRE-WDNDVIMCSA-N 284.359 2.618 0 1 CFAF Cc1cc(=O)n2[nH]c(-c3ccccc3Cl)cc2n1 100448408 SKICSJPZGZSXBD-UHFFFAOYSA-N 259.696 2.651 0 3 CFAF CCN(C(=O)[C@]1(c2ccccc2)C[C@H]1CN)C(C)(C)C 29127563 PNHQUTMNPCBPOX-YOEHRIQHSA-N 274.408 2.550 0 1 CFAF Nc1nc2ccc(O)nc2n1C12CC3CC(CC(C3)C1)C2 118271389 ZKBSQAGVBGVFID-UHFFFAOYSA-N 284.363 2.644 0 1 CFAF C[C@H](Oc1ccccc1C(=O)c1ccccc1)C(=O)O 28761994 UFIHZLCWWCQWPU-NSHDSACASA-N 270.284 2.770 0 1 CFAF O=C1O[C@@H](c2ccccc2)C(c2ccc(O)cc2)=C1O 40421293 BTYLGKKUPWHTRD-HNNXBMFYSA-N 268.268 2.959 0 1 CFAF Nc1ncc(-c2ccc(O)cc2)c(-c2ccccc2O)n1 40866852 XKCICDIGLVZPCG-UHFFFAOYSA-N 279.299 2.804 0 1 CFAF CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc(CO)c(O)cc13 45255684 BPBSRBFSNMZXSP-YXJHDRRASA-N 287.403 2.573 0 1 CFAF in-vivo CCCc1cnc(Nc2ccc([C@@H]3CNCCO3)cc2)nc1 149944642 FAXHLOSHIRXFOH-INIZCTEOSA-N 298.390 2.834 0 1 CFAF CCCn1cnc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587432735 ZABHQXBGSBJHQZ-PXAZEXFGSA-N 298.342 2.790 0 1 CFAF COc1ccc(-c2nc3cccnc3[nH]2)c(Cl)n1 587083818 NLWHRKHUYIEHMS-UHFFFAOYSA-N 260.684 2.682 0 1 CFAF [O-][n+]1ccccc1SCc1nc2ccc(Cl)nc2[nH]1 586970352 XMRAQASZEMEQCS-UHFFFAOYSA-N 292.751 2.537 0 1 CFAF COc1cc2nc(-c3cc4cc(N)ccc4o3)[nH]c2cn1 587252974 WBILMCSXDSXULU-UHFFFAOYSA-N 280.287 2.962 0 1 CFAF COC(=O)Nc1ccc(-c2nc3cccc(F)c3[nH]2)cn1 587244850 LYHQCAHTMIDYJP-UHFFFAOYSA-N 286.266 2.942 0 1 CFAF COc1cc2c3c(c1)O[C@@H]([C@H]1CCSC1)[C@@H](C2)C3=O 587449955 CRRHZMWOHQHMRH-CYBUAMNDSA-N 276.357 2.564 0 1 CFAF Oc1ncnc2[nH]c(Cn3ccc4ccc(Cl)cc43)nc12 587080644 RWBKMBDDINNRBL-UHFFFAOYSA-N 299.721 2.715 0 1 CFAF N[C@H](N=O)c1cccc(Cn2cnc3ccccc32)c1 957986624 QBRWGTYJCBPYJY-OAHLLOKOSA-N 266.304 2.808 0 1 CFAF COC(=O)N1CCS[C@H](c2cccs2)CC1 1857534915 GTUMUZDXWXZZSA-JTQLQIEISA-N 257.380 2.995 0 1 CFAF COc1cc(C(F)(F)F)c(OC)cc1C[C@H](C)N 13641850 WPGOTSORDNBMHP-ZETCQYMHSA-N 263.259 2.612 0 1 CFAF in-vivo O=C1c2ccccc2O[C@]12CCN1Cc3ccccc3N=C12 14823803 WTCJCMUXLLVBFN-GOSISDBHSA-N 290.322 2.950 0 1 CFAF C[C@H]1C(=O)S[C@](C)(Cc2ccc(F)cc2F)C1=O 169717849 JKBFWVGNESKGRB-FUXBKTLASA-N 270.300 2.745 0 1 CFAF Cc1ccc(C)n1[C@H]1C(=O)N(C)c2c(F)cccc21 206027767 NTRGFEQRTQADMK-CQSZACIVSA-N 258.296 2.810 0 3 CFAF Nc1nc(OCc2cccc3ccccc23)c2nc[nH]c2n1 13475151 WMCGLLJXPTTZSI-UHFFFAOYSA-N 291.314 2.667 0 1 CFAF CC(C)N(C(=O)[C@@]1(c2ccccc2)C[C@H]1CN)C(C)C 1846949 YNXFZOVYRWOMIR-DOTOQJQBSA-N 274.408 2.548 0 1 CFAF Cc1c(C(=O)CC(C)C)oc2c1CC[C@@](C)(O)[C@@H]2O 2356413628 GYHLSYICWPZCBR-HUUCEWRRSA-N 266.337 2.547 0 1 CFAF C[C@@H](CCNC(=O)c1ccc(Cl)cc1)n1ccnc1 27561990 YMLADIOSBLCTMR-NSHDSACASA-N 277.755 2.918 0 1 CFAF Cc1ccc(C)c(C2=NCCNc3c2c(C)nn3C)c1 28104811 WHVSUPRBFJUAMK-UHFFFAOYSA-N 268.364 2.608 0 1 CFAF Clc1cccc(-n2nncc2-c2ccncc2)c1 26161744 MGWICGXEHUUKCB-UHFFFAOYSA-N 256.696 2.983 0 1 CFAF CCO[C@@H](C)c1c(OC)cc2c(c1O)C(=O)CC[C@@H]2O 2356596483 LZCGYNOACMSXSZ-WPRPVWTQSA-N 280.320 2.508 0 1 CFAF COC(=O)C1=CC[C@@H]([C@@](C)(O)CC(=O)CC(C)C)CC1 2356691538 NXVYWHPRUJVWDG-CJNGLKHVSA-N 282.380 2.642 0 1 CFAF c1ccc(Nc2ncnc3c2ncn3CC2CC2)cc1 26954864 HTGMCQKPMYKHPB-UHFFFAOYSA-N 265.320 2.980 0 1 CFAF CCc1nc(N)nc(N)c1-c1ccc(C(F)(F)F)cc1 38439127 VLKKZYOUJMHNRD-UHFFFAOYSA-N 282.269 2.889 0 1 CFAF Cc1cc(CC[C@@H]2CC[C@@H](CCN)O2)ccc1F 38264417 TUZLHPUVXHTPCQ-KGLIPLIRSA-N 251.345 2.963 0 1 CFAF Fc1cccc(-c2nc(CNc3cc[nH]n3)co2)c1 72103123 VPTXUKWVLSTPPV-UHFFFAOYSA-N 258.256 2.816 0 1 CFAF Cc1nc2nc(N(CC(C)C)CC(C)C)ccc2[nH]c1=O 82231668 DFCAQGQRXWVRPO-UHFFFAOYSA-N 288.395 2.745 0 1 CFAF COc1cc(CCc2ccc(O)c(OC)c2)ccc1O 196360119 NUUWDUZMHOSPHD-UHFFFAOYSA-N 274.316 2.900 0 1 CFAF CC(=O)Nc1ccc2nc(SCCN(C)C)ccc2c1 42920816 XDMJEJQFGJDOEW-UHFFFAOYSA-N 289.404 2.847 0 1 CFAF C=C(O[C@H]1C[C@@H]2CC[C@H]([C@H]1C(=O)O)N2C)c1ccccc1 238779298 KZFBHCCLJSAHBQ-XUWVNRHRSA-N 287.359 2.610 0 1 CFAF O=C(Nc1ccc(O)cc1)[C@H]1CCc2ccccc2N1 653830159 RSXRGBDJPXRIRX-OAHLLOKOSA-N 268.316 2.758 0 1 CFAF CC[C@@]1(CCC(=O)O)CC(=O)c2cc(C)cc(N)c2O1 587407736 KSFITQLJBCTBJR-OAHLLOKOSA-N 277.320 2.556 0 1 CFAF CCc1nccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 587394166 RBWQOZTYGWXCGH-AWEZNQCLSA-N 283.331 2.636 0 1 CFAF Oc1nc(S)ncc1-c1cc2c3c(cccc3n1)CC2 587217442 WILBOKMJHKHISJ-UHFFFAOYSA-N 281.340 2.785 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](c1cn[nH]c1)CC2=O 587481841 IDDWAVRABJTAKX-AWEZNQCLSA-N 272.304 2.774 0 1 CFAF Fc1ccc2nc([C@H]3CCOC3)[nH]c2c1Br 586911313 GTIAFADHOFTSQJ-LURJTMIESA-N 285.116 2.968 0 1 CFAF Nc1ncnc2[nH]c(-c3cc(Cl)nc4ccccc34)nc12 587084866 HWXMHSUHDNLSEG-UHFFFAOYSA-N 296.721 2.804 0 1 CFAF Oc1nncc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586889650 MJLPQVGSKFEDPC-SPTRTOBYSA-N 270.336 2.526 0 1 CFAF COc1cccc2c3c(cnc12)CCN[C@]3(C)[C@H]1CCCO1 963032507 JNWZHQUJJAEXQM-CRAIPNDOSA-N 298.386 2.783 0 1 CFAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1ncco1 963047389 OXWJUJPFMSUUHM-QGZVFWFLSA-N 295.342 2.641 0 1 CFAF CCN(CC)C(=O)C(Cl)=C(C)OP(=O)(OC)OC 1857742988 RGCLLPNLLBQHPF-UHFFFAOYSA-N 299.691 2.743 0 1 CFAF O[C@H](C[C@H]1c2ccccc2-c2cncn21)c1ccncc1 203791350 RLYSBDKKQFJXQY-DOTOQJQBSA-N 277.327 2.972 0 1 CFAF COC1=CC(=O)O[C@@H](CCc2ccc3c(c2)CCC3)C1 1772628677 HXYIZNWQLFFNSE-HNNXBMFYSA-N 272.344 2.954 0 1 CFAF CCN1c2ccc(O)cc2N(C)C(=O)c2cccnc21 5842809 CMRKYQLFVGOABH-UHFFFAOYSA-N 269.304 2.535 0 1 CFAF CC[C@]1(c2ccc(O)cc2)OC[C@H]([C@@H]2CCCCN2)O1 13453458 VTHRMJDAAJJKMS-XHSDSOJGSA-N 277.364 2.513 0 1 CFAF COc1cc2c(cc1O)C(c1ccccc1)=NCC2 169314378 FIEXYMNVMDTSOW-UHFFFAOYSA-N 253.301 2.794 0 1 CFAF O=C(O)CSc1nnc2scc(-c3ccccc3)n12 206495605 QFAZUXTZMGSVEK-UHFFFAOYSA-N 291.357 2.635 0 3 CFAF CN(C#N)[C@@H]1CCc2ccc(-c3nc[nH]c4nccc3-4)cc21 1857648619 UOTFZVILXPGQOP-OAHLLOKOSA-N 289.342 2.977 0 1 CFAF CN(C)CCN1C(=O)c2ccccc2Nc2ccccc21 2019806 STBMTRPPGSYEFD-UHFFFAOYSA-N 281.359 2.952 0 1 CFAF CO[C@@]1(C(=O)c2cc(O)c(C)c(O)c2)CCC[C@@H](C)O1 2356359950 WEKNWYDAJJMTCQ-PSLIRLAXSA-N 280.320 2.521 0 1 CFAF C[C@@H](C(=O)O)c1cc(C(=O)c2cccs2)ccc1O 29399839 QUHNJEBGSOXPSD-MRVPVSSYSA-N 276.313 2.873 0 1 CFAF CCN(CC)C[C@H](c1ccccc1C)N1CCN(C)CC1 28528175 BIAQKIDSZZQDQU-GOSISDBHSA-N 289.467 2.625 0 1 CFAF Fc1cccc(COc2cccc3c2cnc2ncnn23)c1 103172190 QOUQUZQZTYFBJC-UHFFFAOYSA-N 294.289 2.996 0 1 CFAF CCCN1CCO[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 27191892 QZLSEITWUMZHSJ-GDBMZVCRSA-N 256.349 2.876 0 1 CFAF C[C@H]1CCC[C@@H](n2c(=O)[nH]c3cnc4[nH]ccc4c32)C1 118039210 LNIFDZTXVLQOGK-VHSXEESVSA-N 270.336 2.957 0 1 CFAF C[C@@H]1[C@H](O)CC(=O)[C@]2(C)CC[C@H]3[C@@H]4[C@H](C)CC[C@]4(O)C[C@]312 2356803949 XPMDRPZFPBRXLT-UUCPWEMYSA-N 292.419 2.540 0 1 CFAF O=C(O)c1ccc2[nH]c([C@@H]3COc4ccccc4O3)nc2c1 314076838 DJMFSHVPAULCDM-AWEZNQCLSA-N 296.282 2.774 0 1 CFAF CC(=O)N[C@@H](CC(=O)c1ccccc1)c1ccco1 72113213 WIOCAYLFIMBIKN-ZDUSSCGKSA-N 257.289 2.730 0 1 CFAF CC1(C)C[C@H]2[C@@H](C1)[C@H](O)c1cocc1C[C@@]2(C)O 238738697 CJMRDWKLOVHYSM-GVUJHPQVSA-N 250.338 2.673 0 1 CFAF O=C1CCNc2ccccc2CN1Cc1ccco1 299851803 KAOKBYUDKLOJSF-UHFFFAOYSA-N 256.305 2.624 0 1 CFAF Oc1nc(O)c2ccc(-c3c[nH]c4ccccc34)nc2n1 587556828 ZVLXIIBYTFAJPV-UHFFFAOYSA-N 278.271 2.584 0 1 CFAF Oc1cccc([C@H](O)c2nc3cc(F)c(F)cc3[nH]2)c1 586892557 RSYHBAFKUPOIDE-ZDUSSCGKSA-N 276.242 2.628 0 1 CFAF CCOc1ccccc1OCc1nc2cc(OC)ncc2[nH]1 587780197 NNWUXVXQJSTXPV-UHFFFAOYSA-N 299.330 2.944 0 1 CFAF CC(C)C[C@H](C)Cc1ccc2c(O)nc(O)nc2n1 587561303 NORKXMNZNQJQTN-VIFPVBQESA-N 261.325 2.661 0 1 CFAF CC[C@H]1CC[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587447846 WCZXCJWNTZUHBP-WUDNQAJYSA-N 286.327 2.571 0 1 CFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCCO 587870277 CVPQTHVBYDXRRI-UHFFFAOYSA-N 292.310 2.501 0 1 CFAF C[C@H](CCC(=O)O)Cc1nc2c(F)cnc(Cl)c2[nH]1 587962916 KTQOOGFHFLLLGN-ZCFIWIBFSA-N 285.706 2.794 0 1 CFAF CCC(=O)[C@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445463 JZTDBTDOQFWMER-BDJLRTHQSA-N 274.316 2.571 0 1 CFAF COc1cc(-c2nc3cncc(C)c3[nH]2)cc(OC)c1O 587784926 FNBRDMSNRQXUQF-UHFFFAOYSA-N 285.303 2.656 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1cccc(N)c1)[C@@H](C2)C3=O 587431571 HNADXXWACIVJCO-KBXCAEBGSA-N 295.338 2.940 0 1 CFAF C[C@@H](O)Cc1nsc(Nc2ccc(Cl)cc2)n1 82052306 OVNZGVOASGSUFD-SSDOTTSWSA-N 269.757 2.858 0 1 CFAF CCc1ccc(Nc2n[nH]c3c2CN(C(C)=O)CC3)cc1 1772623080 NWIFMQIVWVMZLD-UHFFFAOYSA-N 284.363 2.620 0 1 CFAF O=C(O)c1ccc(-c2ccc(-n3ccnc3)cn2)cc1 1857652940 VXVCTUNAMOQBTP-UHFFFAOYSA-N 265.272 2.633 0 1 CFAF CCCCCC[C@H]([C@H](C)O)n1cnc(C(=O)OCC)c1 13821012 BUIINKWOKBENCT-GXTWGEPZSA-N 282.384 2.952 0 1 CFAF CN1CCCN(c2ccc(Cl)c(Cl)c2)C(=O)C1 205370651 YZBLMHFFDVLGML-UHFFFAOYSA-N 273.163 2.662 0 1 CFAF O=C1COc2ccc(-c3ccc(O)cc3)cc2N1C1CC1 1857599434 BCIVBKRJAPKBCT-UHFFFAOYSA-N 281.311 2.947 0 1 CFAF c1ccc2[nH]c(-c3ccc(CN4CCOCC4)o3)nc2c1 1857629872 FMTKMZPBFGPBLX-UHFFFAOYSA-N 283.331 2.655 0 1 CFAF O=c1ccc(-c2ccc3ccccc3c2)c(O)c(O)c1O 27412182 OFIZSEBNBSFCJV-UHFFFAOYSA-N 280.279 2.984 0 1 CFAF COC(=O)[C@@H]1CC[C@@]2(O)C(C)(C)[C@H]3CC[C@@]2(C)[C@H]1C3 2356437979 NUUQUQJKWCSMQZ-WORXLNIRSA-N 266.381 2.763 0 1 CFAF CC(=O)Nc1nc(-c2ccccn2)nc2ccccc12 6022540 BVWGJHMEDXFGCK-UHFFFAOYSA-N 264.288 2.650 0 1 CFAF Nc1ccc(S(=O)(=O)[C@H]2CCc3ccccc32)cc1 28478089 AJRGJBUDLAAWNT-HNNXBMFYSA-N 273.357 2.730 0 1 CFAF in-vivo CC1=CC=C[C@](C)(O)CCC(=O)O[C@H](C)[C@@H](C)CC[C@H]1O 2356449097 AIPQJEGNCNESPP-CRNXPOROSA-N 296.407 2.743 0 1 CFAF CCOC(=O)N(C)[C@@H]1CCN2CCc3ccccc3[C@@H]2C1 29217147 BZIJITGQOIBWPN-ZBFHGGJFSA-N 288.391 2.837 0 1 CFAF CC1(C)C(=O)Nc2cc3[nH]c(-c4ccccn4)nc3cc21 28265311 CHCFUMRMLFYUTE-UHFFFAOYSA-N 278.315 2.855 0 1 CFAF COC1=CC2=CCN3CCc4cc(O)c(OC)cc4[C@]23CC1 70454460 PJICDYOFVGIZSM-SFHVURJKSA-N 299.370 2.718 0 1 CFAF biogenic,in-vitro COc1ccc(CC(=O)Nc2cn(C3CCC3)cn2)cc1 45302777 JMTLABPKNNCMFI-UHFFFAOYSA-N 285.347 2.798 0 1 CFAF Cn1cnc2c(N)nc3sc(-c4ccc(F)cc4)nc3c21 40954783 LPPXJBVZCQFRGB-UHFFFAOYSA-N 299.334 2.966 0 1 CFAF Cc1ccc(Nc2ncc3c(n2)C[C@@H](C)CC3=O)cn1 96282185 LNVIBVCDBGTKOO-SECBINFHSA-N 268.320 2.689 0 1 CFAF NC(=O)c1ccc(NCc2ccccc2)c2cccnc12 147595656 ZBCZYSYUCXKPFW-UHFFFAOYSA-N 277.327 2.946 0 1 CFAF NC(=O)[C@H]1CCCc2c(-c3cc4ccccc4o3)n[nH]c21 299868577 RUZGSPBQRGHURB-NSHDSACASA-N 281.315 2.728 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CSC[C@H]1C)O2 587412447 CLNUWDNNTCOXRW-YMTOWFKASA-N 263.362 2.664 0 1 CFAF Nc1ccc(-c2nc3ccnc(O)c3[nH]2)c(C(F)(F)F)c1 587095717 RVXNGZDLVSXBAN-UHFFFAOYSA-N 294.236 2.932 0 1 CFAF COc1cc2nc(-c3c(F)ccc(F)c3OC)[nH]c2cn1 587133478 XVIRWWHTIQBTAR-UHFFFAOYSA-N 291.257 2.920 0 1 CFAF COc1cc(OC)c2[nH]c(C(F)(F)C(F)F)nc2c1 587089415 QRFKXXQQXWQVAI-UHFFFAOYSA-N 278.205 2.937 0 1 CFAF Nc1cc(F)c(-c2nc3ccnc(Cl)c3[nH]2)cc1N 587136280 MJVKCRDTHLQNBO-UHFFFAOYSA-N 277.690 2.582 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)CC1(CC(OC(C)C)C1)O2 587402209 ATFRQWYGTCGJDK-UHFFFAOYSA-N 275.348 2.869 0 1 CFAF CCN(CC)c1ccc(-c2cccc(OC)c2)nn1 207520368 VKNHTZAUMMRHTK-UHFFFAOYSA-N 257.337 2.998 0 1 CFAF CS(=O)(=O)Nc1ccncc1Oc1ccccc1Cl 13586670 KCJCQVZULLHZIU-UHFFFAOYSA-N 298.751 2.899 0 1 CFAF Cc1ccccc1CNC(=O)n1sc2ncccc2c1=O 169711348 MDWYMFWMQCUUPI-UHFFFAOYSA-N 299.355 2.524 0 1 CFAF Cc1sc(N)c(S(=O)(=O)c2ccccc2)c1C 1654691 IRLRZVMPGRKKAY-UHFFFAOYSA-N 267.375 2.780 0 1 CFAF COC(=O)[C@]1(Cc2ccccc2)Cc2ccccc2C1=O 1855462 NJVFUUYNNGIIIU-GOSISDBHSA-N 280.323 2.828 0 1 CFAF Cc1ccc(-c2c(C)[n+]([O-])c3c([n+]2[O-])CCCCC3)cc1 2994833 INSSVAHNLZBQMK-UHFFFAOYSA-N 284.359 2.506 0 1 CFAF O[C@H]1CCCC[C@@H]1[C@@H]1CCC[C@H]([C@@H]2CCCC[C@H]2O)[C@@H]1O 103129423 DJLVCJBIEXGIIJ-BPTOIZOSSA-N 296.451 2.866 0 1 CFAF O=C1[C@H]2CCCN2[C@@H](c2cccs2)N1c1ccccn1 57011117 KBAFYBYYCFHCON-BXUZGUMPSA-N 285.372 2.653 0 3 CFAF CNC(=O)N(C)[C@H]1c2ccc(C)cc2Oc2ncccc21 28009195 IUZAEIMZGGFFNF-AWEZNQCLSA-N 283.331 2.856 0 1 CFAF NC1=N[C@@H](CCOc2cccc(-c3ccccc3)c2)CO1 117256668 DGCPCSKRPLCHTK-HNNXBMFYSA-N 282.343 2.836 0 1 CFAF C[C@@H](Cc1ccccc1)NC[C@H](N)Cc1ccccc1 28474635 MIYJTSGMYOKUNW-MAUKXSAKSA-N 268.404 2.777 0 1 CFAF COc1nccc([C@H](C#N)c2nc3ccccc3s2)n1 34040209 PKNYJVSQHRVGTB-VIFPVBQESA-N 282.328 2.750 0 1 CFAF COc1ccc(C=Cc2cc(=O)cc(OC)o2)cc1 2356587316 HHSHIDRPFXMPHE-UHFFFAOYSA-N 258.273 2.827 0 1 CFAF CC(=CCC[C@@H](C)CO)c1ccc(CO)cc1O 2356624967 VTYGGZUALSUBPO-LLVKDONJSA-N 250.338 2.696 0 1 CFAF C[C@@H]1C=C[C@@H]2C[C@](C)(O)CC[C@@H]2[C@H]1CCC(=O)O 2356685873 JCBGMXDVXDFMAS-DGMCESFYSA-N 252.354 2.841 0 1 CFAF CO[C@H](C=C[C@@](C)(O)C1CCC(C)(NC=O)CC1)C(C)C 2356797916 OPPJMGISMDXIJV-MNAZLIDISA-N 297.439 2.660 0 1 CFAF NC[C@H](O)[C@H](c1ccccc1)n1ccc2ccccc21 35994543 WEJSAYIWQUSTPZ-IRXDYDNUSA-N 266.344 2.550 0 1 CFAF CC(=O)O[C@@H]1CC(C)(C)Oc2cc3oc(=O)ccc3cc21 34220892 SDCYRNJKXNEGRI-CQSZACIVSA-N 288.299 2.958 0 1 CFAF Cc1cccc(-c2nn(C(C)C)c3ncnc(N)c23)c1 71294366 WNSGCGVEGBFXSZ-UHFFFAOYSA-N 267.336 2.965 0 1 CFAF CCC1(CC)CC(=O)N(Nc2ccc(C)cc2)C1=O 40980592 ZFMCSFPNIIDSMJ-UHFFFAOYSA-N 260.337 2.887 0 1 CFAF C[C@H]1CCCCN1c1nc(N)nc2[nH]c3ccc(O)cc3c12 221375050 CNWMIQIFWQXBOE-VIFPVBQESA-N 297.362 2.778 0 1 CFAF C[C@@H](CCOC(=O)c1ccc(Cl)cc1)n1cncn1 42921244 HYYOYEYVPSCONC-JTQLQIEISA-N 279.727 2.740 0 1 CFAF CCCCCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1 45166887 DJPGQZWYXUOGNP-UHFFFAOYSA-N 287.411 2.605 0 1 CFAF CC(C)(N)CNc1nc(-c2ccncc2)cc2cnccc12 43200690 WNDOFCPEDZYDPL-UHFFFAOYSA-N 293.374 2.841 0 1 CFAF in-vitro CCN(CC)C(=O)CCCCc1ccc2c(c1)OCO2 40848449 GANVJBSNVYJUKL-UHFFFAOYSA-N 277.364 2.997 0 1 CFAF CC[C@@H](C)C(=O)Nc1c2sscc-2n(C)c1=O 49803621 QVTRVXIOOPJFEZ-ZCFIWIBFSA-N 270.379 2.598 0 1 CFAF CCC[C@@H](O)CC(=O)CCc1ccc(O)c2c1CCCO2 85597525 OZXGXOXGKHQSOL-CYBMUJFWSA-N 292.375 2.770 0 1 CFAF biogenic,in-vitro CC[C@@H](C)CNc1nc(N2C[C@H](C)O[C@H](C)C2)ncc1C 82203117 GEKUNPCPDHDKGG-BNOWGMLFSA-N 292.427 2.857 0 1 CFAF C[C@@H](c1ccc(O)cc1)[C@H](O)c1cc(O)cc(O)c1 238765314 JAZXHWIGGFTZDU-VFZGTOFNSA-N 260.289 2.641 0 1 CFAF C[C@]12CCC(=O)C[C@@]1(O)Cc1c2nc2cccc3c2c1CC3 587215527 IYPXQRRKCCIQFR-RTBURBONSA-N 293.366 2.631 0 1 CFAF CCOC(=O)CNc1ccc(-c2nc3ccncc3[nH]2)cc1 587225765 SWPZASLETHFXKI-UHFFFAOYSA-N 296.330 2.600 0 1 CFAF OC1(c2nc3cnccc3[nH]2)CCC(C(F)(F)F)CC1 587126513 KVUQOLFGUYIXQJ-UHFFFAOYSA-N 285.269 2.898 0 1 CFAF CC(C)c1nc(-c2ccc3c(O)nc(O)nc3n2)cs1 587564035 NHARNORRKZLXHT-UHFFFAOYSA-N 288.332 2.683 0 1 CFAF C[C@H](Cc1ccccc1)c1ccc2c(O)nc(O)nc2n1 587560363 ALNOHOCGGVAYLN-SNVBAGLBSA-N 281.315 2.782 0 1 CFAF CC(C)C[C@H](O)c1nc2ccc(Br)nc2[nH]1 586901482 QHNZMXFDHPZELO-QMMMGPOBSA-N 284.157 2.800 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccn3ccnc3c1)O2 587394509 WSUBVWCRVZBQAC-OAHLLOKOSA-N 293.326 2.931 0 1 CFAF Nc1cc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2cc1N 587161785 DEIFUYCQDXZDAK-UHFFFAOYSA-N 298.321 2.682 0 1 CFAF CC[C@H]1OCCC[C@H]1c1nc2cccc(C(=O)O)c2[nH]1 586913390 RDKBTFMMDHCJDE-BXKDBHETSA-N 274.320 2.934 0 1 CFAF C[C@@H]1O[C@H]1c1nc2cccc(Br)c2[nH]1 586918827 QKUOCMAQAJSIHY-SSDLBLMSSA-N 253.099 2.785 0 1 CFAF CCOC(=O)C[C@]1(CC(C)C)NCCc2c(C)ccnc21 963067307 JDZDCZBCNCVRMB-KRWDZBQOSA-N 290.407 2.730 0 1 CFAF O=C(CCCCCc1ccccc1)N1CCOC1=O 1857766908 OXZXDYAGMMUIBN-UHFFFAOYSA-N 261.321 2.768 0 1 CFAF CC[C@H](C)C(=O)[C@H](C)c1oc(=O)c(C)c(O)c1C 14594138 IJPRHCNTDLDONG-YUMQZZPRSA-N 252.310 2.681 0 1 CFAF O=C(N1CCc2ccccc21)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 14909134 ZYYJHMAXCTYOMG-BAUKFBFWSA-N 297.398 2.907 0 1 CFAF Cc1nnc(CCCN2CCCC[C@@H]2c2nccs2)[nH]1 19731019 YRMKYMWIKIIPRZ-GFCCVEGCSA-N 291.424 2.729 0 1 CFAF CN1CC[C@@]23CCCC[C@H]2[C@@H]1Cc1ccc(N)cc13 4628529 CYPHSPITDGFDMD-XIRDDKMYSA-N 256.393 2.957 0 1 CFAF Cc1ccc2c(c1)N(Cc1ccccn1)C(=O)[C@H](C)O2 1328405 SIYWHSMTAZCFGA-LBPRGKRZSA-N 268.316 2.704 0 3 CFAF CO[C@H]1C=C(O)[C@@H]2[C@@H]3[C@H]4CCC[C@]3(C)[C@](C)(C4)[C@@]12O 103575487 ORWWLYZBBATSFI-USODCEHFSA-N 264.365 2.650 0 1 CFAF biogenic,in-vitro COC(=O)c1c(SC)nc2ccsc2c1O 9940605 VQYYTIMHNYSLBQ-UHFFFAOYSA-N 255.320 2.510 0 1 CFAF Nc1nc2ccc(Cl)cc2c2nc(-c3ccc[nH]3)nn12 25972316 RSMYRYGAKPUQRY-UHFFFAOYSA-N 284.710 2.508 0 1 CFAF Nc1ncc([C@@H]2C[C@H]3CC[C@@H]2N3)cc1-c1ccccc1 27324404 ABSIBSJUOJFQHU-YCPHGPKFSA-N 265.360 2.939 0 1 CFAF O[C@@H]1c2ccc(Cl)cc2S[C@@H]1Cn1ccnc1 27406169 DABDTARKKXUQAO-VXGBXAGGSA-N 266.753 2.744 0 1 CFAF CNC(=S)N1C[C@@H](C)C(c2ccc(Cl)cc2)=N1 64585651 BFQBPNNOKVYJBD-MRVPVSSYSA-N 267.785 2.500 0 1 CFAF O[C@H](c1ccccc1)c1nc(-c2cncnc2)cs1 61927129 UKCLMGBHAUKORP-CYBMUJFWSA-N 269.329 2.682 0 3 CFAF F[C@H]1CN(C2CCC2)C[C@H]1OCc1nc2ccccc2o1 2356321339 HQFNYOPOGFGFBQ-SWLSCSKDSA-N 290.338 2.919 0 1 CFAF CN(C)N(C)c1nnc(-c2ccccc2Cl)s1 26391421 JVUSPQAXSNCYHF-UHFFFAOYSA-N 268.773 2.771 0 1 CFAF CCCCCC=CCCC[C@@H](C(=O)O)[C@H](O)CC(=O)O 2356439612 XHJITGZAWUNULF-CHWSQXEVSA-N 286.368 2.830 0 1 CFAF O=c1c2sc3ncccc3c2ncn1-c1ccccc1 38213455 FTIDOMBJVUSCMK-UHFFFAOYSA-N 279.324 2.995 0 1 CFAF COP(=O)(OC)[C@@H](O)[C@@H]1CCCc2ccccc21 211059171 RKCAIOTXGUZSDO-CHWSQXEVSA-N 270.265 2.911 0 3 CFAF C[C@@H](O)CCCCC[C@H]1OC(=O)Cc2cc(O)cc(O)c21 45347737 LWACOKGHBDKWPN-QMTHXVAHSA-N 294.347 2.570 0 1 CFAF CC(=O)O[C@@H]1OC=C[C@]12Cc1ccccc1C2(C)C 40954301 UOBVFRXULJJQKP-HOCLYGCPSA-N 258.317 2.940 0 1 CFAF COc1cccc(-c2nnc3ccc(-n4cccc4)nn23)c1 82060579 RYSRCLDKUWUNGJ-UHFFFAOYSA-N 291.314 2.591 0 1 CFAF C[C@H]1CCCCCC(=O)Cc2cc(O)cc(O)c2C(=O)O1 144328664 ZUWLHVBAEWLIDQ-JTQLQIEISA-N 292.331 2.719 0 1 CFAF Cc1nnc2n1-c1c(F)cc(-c3cccnc3)cc1CC2 142093871 VDUHEFSHYMIXOE-UHFFFAOYSA-N 280.306 2.875 0 1 CFAF Oc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1 473135943 WVEVRHJNDCBNGH-UHFFFAOYSA-N 278.271 2.986 0 1 CFAF O=C1COc2ccc(COc3ccc(F)cc3F)cc2N1 653727993 GGSWEJYRPYDMKC-UHFFFAOYSA-N 291.253 2.875 0 1 CFAF O=c1cc(Cc2cccnc2)oc2cc(F)ccc12 653702391 BGVQGOIDTQODPE-UHFFFAOYSA-N 255.248 2.918 0 1 CFAF CCOC(=O)c1cc(C(=O)c2coc3ccccc23)n(C)n1 587280528 JGWDLHSNMNZZRK-UHFFFAOYSA-N 298.298 2.574 0 1 CFAF Cc1cc2nc([C@H](N)Cc3cscn3)[nH]c2cc1C 587029650 SKDXLWJDNQVRPV-LLVKDONJSA-N 272.377 2.879 0 1 CFAF O=C1C[C@](CO)(C2CC2)Oc2c1ccc1c2CCCC1 587528541 BKUVSKRUNFPHTO-KRWDZBQOSA-N 272.344 2.672 0 1 CFAF Cc1cccc2c1[C@@H](C)c1cc3c(O)nc(O)nc3nc1-2 587562417 ZSLOSBSPLSNNLJ-QMMMGPOBSA-N 279.299 2.877 0 1 CFAF C[C@H](O)Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586891175 NHYDSIDKMHXIME-NSHDSACASA-N 280.327 2.717 0 1 CFAF Cc1cc(F)c2[nH]c(-c3c(N)cccc3C(=O)O)nc2c1 587248817 XCZACDUVMKNXQX-UHFFFAOYSA-N 285.278 2.958 0 1 CFAF CCOCc1ccc(-c2nc3cc(N)c(N)cc3[nH]2)o1 586903145 MEQMGSDHHHAASF-UHFFFAOYSA-N 272.308 2.524 0 1 CFAF Cc1cc2c(cc1[C@@H]1NCCc3c(C)ccnc31)OCCO2 963075580 SQYOHBPCFBLIGC-SFHVURJKSA-N 296.370 2.705 0 1 CFAF Cn1cc(O)c(=O)cc1/C=C/c1ccc(Cl)cc1 1772586411 WZPUKSJKRALPHZ-QPJJXVBHSA-N 261.708 2.915 0 1 CFAF O=Cc1cc(-c2coc3cc(O)ccc3c2=O)ccc1O 13408722 RSDJURKESRJBKH-UHFFFAOYSA-N 282.251 2.684 0 1 CFAF O=C(O)C1=CC[C@H](CCCCc2ccccc2)NC1 13823747 FEUIGXYLRGBJFP-HNNXBMFYSA-N 259.349 2.772 0 1 CFAF OCC[C@@]12CCCN3CC[C@]4(c5ccccc5N[C@@H]4CC1)[C@H]32 169647057 XSMCTYIPFHFOEM-NCXUSEDFSA-N 298.430 2.749 0 1 CFAF C[C@H]1CC[C@H](n2cnc(C[C@@H](CCCN)C(=O)O)c2)CC1 169698740 AEHFUSPLVGWEEP-NFAWXSAZSA-N 293.411 2.617 0 1 CFAF Cc1cc2c(N)nc(N)nc2cc1-c1cnc2[nH]ccc2c1 203755716 JTOMSJOIFXSANF-UHFFFAOYSA-N 290.330 2.646 0 1 CFAF Cc1ccc2c(c1)[C@H](CCO)CC(=O)[C@H](C)[C@H](O)[C@H]2C 2356347109 JMMNJTYHKKYEGC-APNQJHFZSA-N 276.376 2.534 0 1 CFAF COc1cc2c(c(OC)c1OC)C(=O)[C@H]1O[C@H]2[C@H](C)[C@H]1C 2356404101 CTOMBICFHOIYRL-WTVOAAGRSA-N 292.331 2.621 0 1 CFAF c1ccc2c(c1)nc(NC1CCCC1)c1nncn12 4910686 UMMIVJNDWVJZNK-UHFFFAOYSA-N 253.309 2.632 0 1 CFAF CN(C)Cc1ccc(-c2ccc3ccn(C(N)=O)c3n2)cc1 103236261 ANWSEBBSNCTOTG-UHFFFAOYSA-N 294.358 2.692 0 1 CFAF C=Cc1ccc([C@H]2C[C@H]3CC[C@@H](N3)[C@@H]2C(=O)OC)cc1 100779763 KHYFCJWXLVZFLY-KLHDSHLOSA-N 271.360 2.727 0 1 CFAF Nc1ccc(-c2cc(/C=C3/CN4CC[C@H]3C4)on2)cc1 26668225 BEURYPRTOCSHLD-BPLGCGBFSA-N 267.332 2.643 0 1 CFAF CC[C@@H]1C(=O)N=C2Nc3sc4c(c3CN21)CCCC4 27201655 NBEZXBZMLMPKHK-SNVBAGLBSA-N 275.377 2.529 0 1 CFAF COC(=O)[C@H]1CC[C@H]2C(=O)C(C)(C)[C@H]3CC[C@@]12C3 2356442517 FKDLMNVLAYZRNQ-ZVXAKGHKSA-N 250.338 2.581 0 1 CFAF CC1=CCC[C@H](C)[C@H](C)OC(=O)C=C[C@@](C)(O)CC[C@@H]1O 2356587345 IDGNDQYOCKRQMV-QEWYBTABSA-N 296.407 2.743 0 1 CFAF CC=Cc1cc(=O)c2c(CC(C)=O)cc(O)cc2o1 2356595317 BJRWVWBCAXJUDU-UHFFFAOYSA-N 258.273 2.663 0 1 CFAF O=c1oc2c(O)cccc2cc1-c1ccc2c(c1)OCO2 26279653 GKIIRDUXGPBBLX-UHFFFAOYSA-N 282.251 2.894 0 1 CFAF CN(C)C(=O)N(C)[C@@H]1c2ccccc2Oc2ncccc21 28008437 DSYJPWFRENHYOM-CQSZACIVSA-N 283.331 2.890 0 1 CFAF CCCC=CC=CCCCCC[C@@H]1C[C@H](O)[C@H](N)CN1 2356785654 ALPPRTQKVXDWNZ-ZACQAIPSSA-N 280.456 2.900 0 1 CFAF Oc1ccc(-c2cc(/C=C3\CN4CC[C@H]3C4)on2)cc1 26669209 PHMKCTAFYAPWGP-ALFJJAPYSA-N 268.316 2.766 0 1 CFAF COc1ccc2c(=O)cc(-c3cccnc3)oc2c1 37637880 OWGLMHKJFGYOTP-UHFFFAOYSA-N 253.257 2.864 0 1 CFAF Cc1ccc(C(=O)CNC(=O)/C=C/c2ccc(O)cc2)cc1 73138202 XHXZRSFDRKEFRP-IZZDOVSWSA-N 295.338 2.713 0 1 CFAF Fc1ccc(-c2ccn[nH]2)c([C@H]2Cc3nccn3C2)c1 40980685 FRRVMSCOMUYFGM-JTQLQIEISA-N 268.295 2.752 0 1 CFAF CC(=O)c1ccc([C@@H]2CC(OCCF)=CC(=O)O2)cc1 199228384 FMRFKSUPMWHXEK-AWEZNQCLSA-N 278.279 2.747 0 3 CFAF COC1=CC(C)(C)Oc2cc3oc(=O)ccc3cc21 142844125 GTYFGABCRSIMTK-UHFFFAOYSA-N 258.273 2.951 0 1 CFAF COC(=O)c1c(-c2ccccn2)[nH]c2c(C(=O)O)cccc12 587638345 FSROSVVGNPQYSU-UHFFFAOYSA-N 296.282 2.715 0 1 CFAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cnccc2[nH]1 587042970 OENBDZKBNCFUIL-LLVKDONJSA-N 290.392 2.578 0 1 CFAF Clc1ccc2c(c1)C[C@@H](c1nc3cnncc3[nH]1)O2 587081693 YQWRCERAFPHAGO-LBPRGKRZSA-N 272.695 2.683 0 1 CFAF COc1cccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c1O 587785641 DUFMOBZLDKYZPT-CQSZACIVSA-N 298.302 2.668 0 1 CFAF Nc1ncccc1Cc1nc2cc(Cl)c(Cl)nc2[nH]1 587253522 KCXHCPWYXKYYRE-UHFFFAOYSA-N 294.145 2.833 0 1 CFAF CCO/C=C(\C)[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444514 ZYWBYQVNGWJMHG-GNADWWNHSA-N 274.316 2.752 0 1 CFAF CCN(C)C[C@H]1CCc2c(n(C)c3ccccc23)C1=O 59282375 VXEJZPBNBFRQMV-GFCCVEGCSA-N 270.376 2.875 0 1 CFAF COCCCn1c(C)cs/c1=N\c1cccnc1 13135940 HRRVPFVOCIUIRH-SQFISAMPSA-N 263.366 2.522 0 1 CFAF CN1CCc2ccc(N)cc2[C@@H](c2ccccc2)C1 204880180 JNDPGFKINLFTLJ-QGZVFWFLSA-N 252.361 2.889 0 1 CFAF Nc1ccc2ncc(NCc3ccc(F)cc3)nc2c1 1633575 OTUFGIPDVXHSIZ-UHFFFAOYSA-N 268.295 2.963 0 1 CFAF Nc1c2c(nc3ccccc13)CCC[C@@H]2N1CCOCC1 3802287 CJHXIILUIKWHTD-HNNXBMFYSA-N 283.375 2.527 0 1 CFAF Cc1ccc(-n2nc3[nH]c(=N)c4ccccc4c3n2)cc1 103087593 JZJFZLKCWMMDRS-UHFFFAOYSA-N 275.315 2.690 0 1 CFAF COc1ccc2nc3c(O)n4c(nc-3c2c1)SCCC4 101679667 VXMNKSHHJUNWGH-UHFFFAOYSA-N 287.344 2.746 0 1 CFAF CC(C)(C)C(=O)c1cccc(N2CCCC(=O)N2)c1 28108414 LRDFZVQBNPBCIV-UHFFFAOYSA-N 260.337 2.547 0 1 CFAF CC=C1CN2CC[C@]34C(=Nc5ccccc53)[C@@H](CO)[C@H]1C[C@@H]24 2356649539 PKSXQJQSOYBVHM-PDVMFTSQSA-N 294.398 2.673 0 1 CFAF CO[C@@H]1OCC2=C3CC(C)(C)C[C@@H]3[C@H](C)[C@@H](O)C[C@@H]21 2356671915 PBYZDERJNBDVLA-VOAKKNSGSA-N 266.381 2.739 0 1 CFAF O=C(O)[C@H]1CCC(=O)N1Cc1ccc(-c2ccccc2)cc1 73296014 VMVUOYMLEJABRL-MRXNPFEDSA-N 295.338 2.929 0 1 CFAF COc1ccc(F)cc1CC[C@H]1CC[C@@H](CCN)O1 35875090 FOEJRTWJHDIANT-KBPBESRZSA-N 267.344 2.663 0 1 CFAF in-vitro CCc1ccc(-c2cc(C(N)=O)c(NC(N)=O)s2)cc1 34003815 VPGZIRQWJIZULD-UHFFFAOYSA-N 289.360 2.567 0 1 CFAF COc1ccc2ccc(OC)c([C@@H]3C[C@H]3NC(C)=O)c2c1 34022626 VJGODNYYEUTWJZ-HUUCEWRRSA-N 285.343 2.849 0 1 CFAF CCn1ccc2c(sc3nccc(OC)c32)c1=O 73292363 GHOFJCOLOLFEEA-UHFFFAOYSA-N 260.318 2.640 0 1 CFAF CC(C)(C)COC(=O)C[C@H]1CC(c2ccc(O)cc2)=NO1 34633596 QJZAHLWVHDDSFE-CYBMUJFWSA-N 291.347 2.865 0 1 CFAF O=c1[nH]c2cc(Nc3ccccc3)ccc2n1[C@@H]1CCNC1 40576518 SYKZJCZGPSLNRA-CQSZACIVSA-N 294.358 2.608 0 1 CFAF O=C1c2cc(O)ccc2-c2c3c(cc4ccnc1c24)OCO3 85995643 ALNCSCLTBCGURW-UHFFFAOYSA-N 291.262 2.881 0 1 CFAF C=CC(=O)N1C(=O)C=CC[C@@H]1/C=C/c1ccccc1 299835785 LSKPNBPOWFYIOV-GCZGRYASSA-N 253.301 2.570 0 1 CFAF CCn1c(Nc2ccncc2)nc2ccsc2c1=O 299823767 UQFWXIXPSJFXEM-UHFFFAOYSA-N 272.333 2.617 0 1 CFAF Nc1[nH]nc(-c2cccc(O)c2)c1-c1ccc(O)cc1 653864137 KKNGSXCAZGFOLP-UHFFFAOYSA-N 267.288 2.737 0 1 CFAF N=c1cc[nH]cc1-c1nc2ccc3ncccc3c2[nH]1 587249609 PFJAUAOJRKVMII-UHFFFAOYSA-N 261.288 2.586 0 1 CFAF COc1cccc2nc(CC(=O)OCc3ccccc3)[nH]c12 587783015 VNJMZSGWJYXSDS-UHFFFAOYSA-N 296.326 2.857 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3nccn13)O2 587393495 HXOHFISXKHTNEU-OAHLLOKOSA-N 293.326 2.931 0 1 CFAF Cn1c(Cl)nc(Cl)c1[C@@H]1NCCc2ccc(O)cc21 963328203 DZCDACAHEBYMBL-SNVBAGLBSA-N 298.173 2.668 0 1 CFAF CCN1C(=O)C[C@]2(C=C1C)NCCc1cc(C)c(F)cc12 962143678 IJZAUYPNQRUQFX-KRWDZBQOSA-N 288.366 2.631 0 1 CFAF Cc1cc([C@@]2(C)NCCc3c2c(C(C)C)nn3C)ccn1 962904067 AZIOVUGBYVIWKW-QGZVFWFLSA-N 284.407 2.656 0 1 CFAF N=C(N)c1ccc(NC(=O)c2cccc(Cl)c2O)cc1 13444414 FKUAJSCZSYQJSF-UHFFFAOYSA-N 289.722 2.582 0 1 CFAF NC(=O)c1ccc(F)c(F)c1Nc1ccccc1F 1857751754 QMDWUIYZDQAEGA-UHFFFAOYSA-N 266.222 2.946 0 1 CFAF CS[C@]1(C)C[C@H]2[C@@H](C[C@@H]1N1CCOCC1)C2(C)C 16035986 LZTQTTOSHLGSSO-UKTARXLSSA-N 269.454 2.875 0 1 CFAF Cc1onc(-c2ccccc2F)c1C(=O)NC(C)C 775359 YTDLTVSOVZXSJC-UHFFFAOYSA-N 262.284 2.927 0 1 CFAF CC(C)NC(=O)[C@H](C)n1cccc1C(=O)c1ccccc1 4110988 QZBBQHMIZYJQED-ZDUSSCGKSA-N 284.359 2.805 0 3 CFAF CCCCCSc1cccc(OS(C)(=O)=O)n1 103179416 MAZVDRPECPGQKC-UHFFFAOYSA-N 275.395 2.702 0 1 CFAF COc1ccc(-c2cn(-c3ccc(OC)c(O)c3)nn2)cc1 28567412 CGCCCMHWAJSRBY-UHFFFAOYSA-N 297.314 2.657 0 1 CFAF CCCC[C@@H](C=C[C@@H]1CC=CC(=O)O1)OC(C)=O 2356545170 NIMODSMHVSSGLL-STQMWFEESA-N 252.310 2.536 0 1 CFAF COc1cc2c(cc1O)[C@H](c1ccccc1)CC(=O)O2 2356688895 PZZFRNARZSDSHQ-NSHDSACASA-N 270.284 2.842 0 1 CFAF COC(=O)c1cc2c(c(OC(C)=O)c1)OC(C)(C)C=C2 84153805 BOQCKTHNWHOLGU-UHFFFAOYSA-N 276.288 2.583 0 1 CFAF biogenic,in-vitro COc1cc(/C=C/c2cc(O)ccc2O)ccc1O 84711709 PNGDBUKYNBUOIB-DUXPYHPUSA-N 258.273 2.982 0 1 CFAF C=Cc1ccc([C@H]2C[C@@H]3CC[C@H](N3)[C@H]2C(=O)OC)cc1 194872781 KHYFCJWXLVZFLY-FZKCQIBNSA-N 271.360 2.727 0 1 CFAF COc1cc([C@H](CC(C)=O)c2cccnc2)ccc1O 40848445 VWOZTIOVCDOHKM-AWEZNQCLSA-N 271.316 2.907 0 1 CFAF Cc1nccc2c1[nH]c1cc(OCCCN)ccc12 84632618 CTNYBQXVPYGIJR-UHFFFAOYSA-N 255.321 2.752 0 1 CFAF OCc1cccc2c1-c1ccccc1[C@@]2(O)C(F)(F)F 143474859 HRIYWRZKEICDJM-AWEZNQCLSA-N 280.245 2.958 0 1 CFAF CC(=O)O[C@@H]1CC(C)=C2CC=C(C)[C@H]2[C@H]2OC(=O)[C@H](C)[C@@H]12 238740520 XNQSEZFWFNDBST-NPODOCJWSA-N 290.359 2.782 0 1 CFAF COC(=O)[C@@H](C)C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397826 BSZKWDFAGXZQGH-MGPLVRAMSA-N 291.347 2.500 0 1 CFAF O=C1C[C@]2(CCN3CC[C@H]2C3)Oc2c1ccc1c2CCCC1 587527225 RKPWWZVNDCGISY-LIRRHRJNSA-N 297.398 2.995 0 1 CFAF Nc1cccc(O)c1-c1nc2c(Cl)ccnc2[nH]1 587250890 UZYQTJRHVYEDFM-UHFFFAOYSA-N 260.684 2.566 0 1 CFAF COc1cccc(Cc2nc3ccc([C@H](N)N=O)cc3[nH]2)c1 587930974 KURJOEUCONUIKH-MRXNPFEDSA-N 296.330 2.886 0 1 CFAF COC(=O)c1ccc2nc(Cc3cc(C)ccc3C)[nH]c2n1 587958488 FXGNLBQURJZJFO-UHFFFAOYSA-N 295.342 2.952 0 1 CFAF C=C(NC(C)=O)c1nc2cc(C)c(Br)cc2[nH]1 587203354 MCYXFEGPYVBUCH-UHFFFAOYSA-N 294.152 2.741 0 1 CFAF COc1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1N 587389387 KDJMJYWSWMQWMU-HNNXBMFYSA-N 298.342 2.875 0 1 CFAF Fc1cc(-c2nc3cnccc3[nH]2)cc(N2CCCC2)n1 587177353 FMNGNZZZXAZETL-UHFFFAOYSA-N 283.310 2.759 0 1 CFAF C=C(NC(C)=O)c1nc2cc3ccccc3cc2[nH]1 587203999 SXOVLTXXHTZPRQ-UHFFFAOYSA-N 251.289 2.823 0 1 CFAF Cc1cc2c(cc1F)[C@@](C)(c1c(C)nsc1N)NCC2 962091066 LEAAWOMOXGYPOF-HNNXBMFYSA-N 291.395 2.890 0 1 CFAF C[C@@H]1c2c[nH]c3cccc(c23)S[C@H]1c1nnn[nH]1 13649079 HBBWLDWCRPSAKO-KSBSHMNSSA-N 257.322 2.632 0 1 CFAF COc1nccc2c(-c3ccc(Cl)cc3)nc(N)nc12 169327222 DDNXYWCIHSJWIZ-UHFFFAOYSA-N 286.722 2.936 0 1 CFAF Cc1ccc(-c2c(CN3CCC(C)CC3)no[n+]2[O-])cc1 1857759543 ASAIWDDIUXVVPC-UHFFFAOYSA-N 287.363 2.515 0 1 CFAF CC(=O)c1ccc2c(c1)C(c1ccccc1F)=NCC(=O)N2 13651899 YIKGZSNQIIUVSI-UHFFFAOYSA-N 296.301 2.818 0 1 CFAF CC(C)Sc1nc(Cc2ccccc2)cc(=O)[nH]1 13742886 NOQZTMPELDODEZ-UHFFFAOYSA-N 260.362 2.861 0 1 CFAF O=C(Nc1cccnc1)c1cc(-c2ccc(O)cc2)on1 3907800 JMFHKVBIFCTPDU-UHFFFAOYSA-N 281.271 2.695 0 1 CFAF C[C@@H]1Cn2c(=O)oc3cccc(c32)CN1CC1CCC1 6488739 IGTNXQATEXGGFF-LLVKDONJSA-N 272.348 2.599 0 1 CFAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)C2=O 29206354 WPOCIZJTELRQMF-WXQHOCMDSA-N 286.371 2.788 0 1 CFAF in-vitro CCc1nnc(S)n2c([C@@H](C)CC)nc(C)c12 29462157 VEJLSQOIJUZGBW-ZETCQYMHSA-N 250.371 2.797 0 1 CFAF CCCN(CCC)c1ccc2c(c1)C[C@@](N)(C(=O)O)CC2 25990171 NIIJXIGTDIKAGO-QGZVFWFLSA-N 290.407 2.584 0 1 CFAF COc1ccc2c(c1)O[C@H]1c3ccc(O)cc3OC(=O)[C@H]21 2356411241 ZVPPEISOWXTPEL-CABCVRRESA-N 284.267 2.537 0 1 CFAF COc1ccc2ccc(C(=N)N)cc2c1-c1cn[nH]c1 26824777 FUHODHYFYDOTQV-UHFFFAOYSA-N 266.304 2.523 0 1 CFAF C[C@@]12CCC[C@@](O)(C1)[C@@H]1CC3(CCCC3)[C@@]1(CO)[C@@H](O)C2 2356768695 RLXIIDVTPCQPSG-OLEVXBPZSA-N 294.435 2.621 0 1 CFAF Cc1cc(C)cc(C(=O)N2Cc3ccccc3C[C@H]2CO)c1 34886714 YYQWYYBYBKCLOO-SFHVURJKSA-N 295.382 2.863 0 1 CFAF O=C(O)CCCCCCCCNC(=O)c1ccccc1O 33995757 WMEGFLZDTQYVKP-UHFFFAOYSA-N 293.363 2.937 0 1 CFAF CN1CCC[C@H]1[C@@H]1COc2ccc(Br)cc2O1 73158195 VTNSNZFZETVJGZ-GWCFXTLKSA-N 298.180 2.683 0 1 CFAF O=C(OCc1ccccc1)[C@@H]1COC(c2cccc(F)c2)=N1 49067346 XGDJJZZGMUXDFT-HNNXBMFYSA-N 299.301 2.715 0 1 CFAF O=C(NCc1ccc(Cl)cc1)[C@H]1COc2ncsc21 220866890 FMRTVAPCJIBVQN-JTQLQIEISA-N 294.763 2.589 0 1 CFAF Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1NCCC(C)C 82203128 VKHAAKGPOVPLQK-KBPBESRZSA-N 292.427 2.857 0 1 CFAF COc1c(CCC(=O)O)ccc2c1C=CC(C)(C)O2 196940386 SIJDUTBXZTVJLZ-UHFFFAOYSA-N 262.305 2.897 0 1 CFAF biogenic,in-vitro COC[C@H](C)Nc1cc(-c2cccc(OC)c2)ncn1 82161367 PAJYAZBDSUJCQJ-NSHDSACASA-N 273.336 2.599 0 1 CFAF COc1ccc2sc(S[C@H](C)C(=O)O)nc2c1 45286962 ZODJAFFPCGRBAV-ZCFIWIBFSA-N 269.347 2.870 0 1 CFAF COc1cc2c(cc1OCCN1CCCCC1)C(=O)CC2 84668884 BDQAXKXEEODUSX-UHFFFAOYSA-N 289.375 2.689 0 1 CFAF O=c1c(-c2ccc(O)cc2)coc2cc3c(cc12)OCO3 147690177 CGQIQSHSLSNQMC-UHFFFAOYSA-N 282.251 2.894 0 1 CFAF NC(=O)c1ccc2c(c1)-c1ccccc1[C@@]2(O)C(F)(F)F 144692320 XCTGAPBZTAWWDV-AWEZNQCLSA-N 293.244 2.564 0 1 CFAF C/C1=C\C[C@@H](O)[C@@H](C)C[C@H]2OC(=O)[C@H](C)[C@@H]2CC1 238768043 LAOQYXNUSDEVJK-HZIUKEMISA-N 252.354 2.681 0 1 CFAF biogenic CCO[C@@]12CC[C@@H]3C[C@@H]4CC[C@@](OCC)(O1)[C@@H]4[C@H]32 254201032 SORQIKMJIKCAHH-HGPDSQILSA-N 252.354 2.938 0 1 CFAF COc1ccc(Cn2c(O)cc(C)nc2=S)cc1 263592001 KJEPCRWMPKOWRA-UHFFFAOYSA-N 262.334 2.684 0 3 CFAF COc1ccccc1-c1cccc2c1CC(=O)[C@@H](N)CC2 473084959 UZBGIJICQPWWFM-INIZCTEOSA-N 281.355 2.747 0 1 CFAF O=C1CCC(c2ccccc2)(c2nc3cncnc3[nH]2)CC1 586877986 ZRRYPLFIUJGKLX-UHFFFAOYSA-N 292.342 2.782 0 1 CFAF CC(C)(CC(=O)O)Cc1nc2c(F)cnc(Cl)c2[nH]1 587955768 NSLMCXNGUCLSCF-UHFFFAOYSA-N 285.706 2.794 0 1 CFAF COCCC[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587402449 XVGLYWPULAEBHE-HNNXBMFYSA-N 263.337 2.728 0 1 CFAF COc1ccc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2n1 586880166 OIIXDAZYMOEBGL-VURMDHGXSA-N 295.298 2.835 0 1 CFAF C[C@H](F)[C@H](N)c1nc2ccc(F)c(Br)c2[nH]1 587125557 SHBXEVLHASCPAR-NVNXEXLPSA-N 290.111 2.822 0 1 CFAF C[C@H]1CCO[C@H](c2nc3cccc(C(=O)O)c3[nH]2)C1 586917662 UMEWJWNVXKLRQL-KWQFWETISA-N 260.293 2.749 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C)nc1C1CC1)O2 587392621 UGWURPTZVGRHCI-HNNXBMFYSA-N 297.358 2.895 0 1 CFAF COC(=O)c1cccc2nc(-c3cccc(OC)c3O)[nH]c12 587786234 JIHYMHPWEJQAFU-UHFFFAOYSA-N 298.298 2.731 0 1 CFAF CC(C)CCSC(=S)NCC/C=C/[S@](C)=O 1857773179 DTEYLYSQUUHYHH-RDTXFTJFSA-N 279.496 2.923 0 1 CFAF CCOC(=O)c1cn(-c2nccs2)nc1CC(C)C 1772596348 YETVJXVCLDGPKG-UHFFFAOYSA-N 279.365 2.704 0 1 CFAF C[C@H](c1ccc(-c2ccccn2)s1)N(O)C(N)=O 13762896 XASWLDFYCYSTDV-MRVPVSSYSA-N 263.322 2.641 0 1 CFAF O=C(Nc1cc2ccc(C3(O)CCCC3)nc2cn1)C1CC1 169700094 MIOWGSFEZXPGAP-UHFFFAOYSA-N 297.358 2.740 0 1 CFAF CCn1ccc2c3c(nc(=O)c-2c1)-c1ccccc1C3 1857536281 OPJSVOBHLDJJLZ-UHFFFAOYSA-N 262.312 2.939 0 1 CFAF Nc1cc(N2CCOCC2)c2oc(-c3ccco3)nc2c1 1857648206 YWUWAKROJFNRPB-UHFFFAOYSA-N 285.303 2.507 0 1 CFAF Cn1c(S)nnc1-c1cncc(C#Cc2ccccc2)c1 170265 NMUYWISJAURIOD-UHFFFAOYSA-N 292.367 2.566 0 1 CFAF Cc1ccc(-n2nnc3c(=O)oc4ccccc4c32)cc1 211806 ZBIPSGGPMOPMQF-UHFFFAOYSA-N 277.283 2.835 0 3 CFAF CC(C)(c1ccc(C(F)(F)F)nc1)[S@@](C)(=O)=NC#N 103191172 IBVQNRSDGMYWNV-LJQANCHMSA-N 291.298 2.914 0 1 CFAF COc1cc(OC)c2ccc(=O)oc2c1C=CC(C)(C)O 2356485290 ADODTNKKUQGPNW-UHFFFAOYSA-N 290.315 2.594 0 1 CFAF CN1CC=C(c2c[nH]c3ccc([C@H]4COCCO4)cc23)CC1 28763940 OTHCNVXZGXFCNW-GOSISDBHSA-N 298.386 2.975 0 1 CFAF c1cc2c(cc1CN[C@H]1[C@H]3[C@H]4C[C@H]5[C@@H]6[C@H]4C[C@H]3[C@H]6[C@@H]51)OCO2 101699884 VGYQUDBPYFLBLJ-CULTZOQESA-N 295.382 2.651 0 1 CFAF C[C@@H]1CCCC=C[C@@H]2CCC[C@H]2[C@@H](O)C=CC(=O)O1 2356427530 DDFOHHVPBOQQDW-TUVASFSCSA-N 264.365 2.992 0 1 CFAF CC1=CCCC(CO)=CC[C@@H]2[C@@H](C1)OC(=O)[C@@H]2C 2356643119 ILIOGIMGVJEQEZ-KWCYVHTRSA-N 250.338 2.603 0 1 CFAF COc1cc2c(cc1O)[CH]N1CCc3cc(O)cc-2c31 2356858664 GEWDRHVYHLBCGR-UHFFFAOYSA-N 268.292 2.659 0 1 CFAF COc1nc2nc(C)cc(Nc3ccc(Cl)cc3)n2n1 73295540 MJUYOITZHSCITR-UHFFFAOYSA-N 289.726 2.838 0 1 CFAF Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CSC3 40425141 MYRWQMFYJXEWDH-UHFFFAOYSA-N 283.356 2.675 0 1 CFAF CC[C@@H](C)Oc1cc(NC(C)=O)ccc1C(=O)OC 40429548 QWVLJFVNYUGTJC-SECBINFHSA-N 265.309 2.609 0 1 CFAF CN(C)C(=O)c1ccc(-n2cnc3ccccc32)s1 84602503 SFNFFEZQUBMMPH-UHFFFAOYSA-N 271.345 2.789 0 1 CFAF COC[C@@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1 45391496 RMFDASBXQBLDIL-OPQQBVKSSA-N 272.175 2.727 0 1 CFAF c1ccc(CN[C@H]2[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)cc1 261192997 ZWCQZHOWEDKJBN-DCUVKMTDSA-N 251.373 2.923 0 1 CFAF CC1=C(C(=O)OC(C)C)[C@H](c2ccco2)n2ccnc2N1 653745169 XSFNZYDKVKNNMU-ZDUSSCGKSA-N 287.319 2.717 0 1 CFAF C[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1C 587517197 IUBXZIRVPGLPGY-XIKOKIGWSA-N 285.387 2.993 0 1 CFAF CC1(C)OC(=O)C(c2nc3cccc(C(C)(C)C)c3[nH]2)=C1N 587255648 UTEDGQXTUBRPII-UHFFFAOYSA-N 299.374 2.866 0 1 CFAF c1cc(CSCc2nc3cnncc3[nH]2)cs1 587026654 WMCLCFJBFFDANJ-UHFFFAOYSA-N 262.363 2.848 0 1 CFAF CCCc1c(O)ccc2c1O[C@@](CC)(C(=O)O)CC2=O 587478696 BKKFWDVXDVKUKL-OAHLLOKOSA-N 278.304 2.543 0 1 CFAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc[nH]c(=N)c2[nH]1 587151730 UCODWRGRGQAUSU-SSDOTTSWSA-N 290.273 2.789 0 1 CFAF CC[C@H]1C[N@@]1[P@](=O)(c1ccccc1)[N@@]1C[C@H]1CC 1857623025 KAEOCOTWIGBXJT-YLLCDPPTSA-N 264.309 2.693 0 1 CFAF CC[C@H](C)SC(=S)NCCCC[S@@](C)=O 1857653394 YTMCRIOERFBKDH-BJOHPYRUSA-N 267.485 2.551 0 1 CFAF CC[C@@H]1C(=O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24O3 169366102 POIANFSUDFGZHE-BVCVXGDJSA-N 280.364 2.853 0 1 CFAF CC(C)=CCC(=O)[C@H](C)CCC[C@]1(C)CO[C@H](CO)CO1 40496386 UTFITFNGJUFYBJ-BFYDXBDKSA-N 298.423 2.885 0 1 CFAF CC1(C)O[C@@]2(C3CCCC3)CC[C@H]1[C@](N)(CCCO)C2 2356366044 YLDRAQSIUREUFZ-PVAVHDDUSA-N 281.440 2.994 0 1 CFAF Cc1cc(SCC(=O)c2ccccc2)n2nc(C)nc2n1 4924759 SPGYFZIJBSMMEN-UHFFFAOYSA-N 298.371 2.716 0 3 CFAF O=C1Oc2ccccc2[C@]2(O)[C@H]3CCCCC[C@@H]3[C@@H]12 104058956 CONVEVQNXBXAGL-KFYUAXIPSA-N 258.317 2.620 0 1 CFAF CCc1ccc([C@H]2C[C@@H]3CC[C@H](N3)[C@@H]2C(=O)OC)cc1 100741770 VQVUZWDWIQWSQU-XUWVNRHRSA-N 273.376 2.646 0 1 CFAF CC[C@@H](OC(C)=O)c1ccc(OC(C)=O)c(OC(C)=O)c1 103255910 TZTWWWIHMHORLV-CYBMUJFWSA-N 294.303 2.551 0 1 CFAF COc1ccccc1-n1nnn(-c2ccccc2)c1=S 53296363 HKMKCDYCHDTPNK-UHFFFAOYSA-N 284.344 2.796 0 1 CFAF CNC(=S)C1=CC(C)(C)Oc2ccc(C(=O)OC)cc21 26731189 UWSJWIGUUVOFAB-UHFFFAOYSA-N 291.372 2.574 0 1 CFAF O=C1NC[C@@H](c2cccc(F)c2)N1c1ccc2[nH]cnc2c1 116196012 ZDYASQQMSRUQQN-HNNXBMFYSA-N 296.305 2.973 0 1 CFAF c1cc(-c2cnc3cc4c(cc3n2)[C@H]2CNC[C@@H]4C2)c[nH]1 28528981 YYWDSYCXFGGAQR-NWDGAFQWSA-N 276.343 2.799 0 1 CFAF Cc1ccc([C@H]([C@H]2Cc3ccccc3O2)n2cnnn2)cc1 26182087 KGRHYXLYQFPRRK-IAGOWNOFSA-N 292.342 2.575 0 1 CFAF CC(C)=CCc1cc(C=CC(=O)O)cc2c1O[C@@H](O)C2 2356680390 HAURWYFBWLWKEE-OAHLLOKOSA-N 274.316 2.546 0 1 CFAF COC(=O)C/C=C1\c2ccc3c(c2[C@H](OC)[C@@H]1C)OCO3 66166351 ZQDNTSRZBRBSHA-VZIOMYTHSA-N 290.315 2.699 0 1 CFAF O=C1C[C@@]23C=CCN4CC[C@H]5c6ccccc6N1[C@]42[C@H]5CC3 3594641 QIGPQWKGPHTVIF-BMIPRAEKSA-N 292.382 2.889 0 1 CFAF biogenic Cc1noc(C)c1-c1ccc2c(c1)[C@@](O)(C1CC1)C(=O)N2 219533904 DKDZRQKXGMEJGQ-INIZCTEOSA-N 284.315 2.508 0 1 CFAF CCCNC(=O)c1cn(C(C)(C)C)c2ncccc12 72323117 UPBAPOIWCXWFDM-UHFFFAOYSA-N 259.353 2.931 0 1 CFAF CO[C@]1(C)CCC2=C(C)C(=O)O[C@@H]2C[C@@]2(C)O[C@@H]2CC1 238748892 FULCSTKSEHDKSP-RRCSTGOVSA-N 280.364 2.755 0 1 CFAF N=C1N(Cc2ccccc2)C[C@@H]2Cc3ccccc3CN12 653780417 XHUYYPZDYUUFKI-KRWDZBQOSA-N 277.371 2.864 0 1 CFAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)c1cccnc1 587638277 DZUZBWZGGMZZTR-UHFFFAOYSA-N 280.283 2.801 0 1 CFAF Cc1nc(C)c(Cc2nc3cc(F)cnc3[nH]2)s1 587011049 AXGQFCPVNSZUHL-UHFFFAOYSA-N 262.313 2.761 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nccnc1Cl)O2 587378256 AWYWZDFEICLSQX-NSHDSACASA-N 289.722 2.727 0 1 CFAF Cc1ccc2nc(Cc3cccnc3N)[nH]c2c1C 587253575 KOMSLFFWVJMOSA-UHFFFAOYSA-N 252.321 2.748 0 1 CFAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)N(C)C 587872963 UMLMSMDGUNUYKL-UHFFFAOYSA-N 293.367 2.783 0 1 CFAF FC(F)(F)OCc1nc2cncc(Cl)c2[nH]1 587123619 JBNYXJSZYVLEDI-UHFFFAOYSA-N 251.595 2.648 0 1 CFAF CCc1ccc2nc(C[S@@](=O)CC3CC3)[nH]c2c1 586958424 FXADDMFASXMEKJ-SFHVURJKSA-N 262.378 2.784 0 1 CFAF Nc1ncnc2nc(-c3ccc(C4CCC4)cc3)[nH]c12 586881293 SJGPMIVKJXQRLM-UHFFFAOYSA-N 265.320 2.870 0 1 CFAF Cc1cc2[nH]c(-c3ncc(N)cn3)nc2cc1Cl 587252826 OOHUDHWLCJVAOI-UHFFFAOYSA-N 259.700 2.564 0 1 CFAF CCSC(=O)C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587408357 FSCRETGUZPZXRY-OAHLLOKOSA-N 293.388 2.971 0 1 CFAF O=C1NC(=O)C(c2ccccc2)=C1Nc1cccc(Cl)c1 14945981 WCAYCTGIGMRVKS-UHFFFAOYSA-N 298.729 2.820 0 1 CFAF COc1ccc2c(=O)c(O)c(-c3ccccc3O)oc2c1 1857758363 ZMGKUWRCRITKDR-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF CC(=O)CC[C@H](C=C[C@@](C)(O)CC(C)=O)C(C)C 2356427662 IRHPCGCGDGIOQA-HUUCEWRRSA-N 254.370 2.914 0 1 CFAF C[C@@H]1CCCC[C@H]1Nc1nc2ccccc2n2nnnc12 6752104 JLPJQNIJELYAMQ-GHMZBOCLSA-N 282.351 2.663 0 1 CFAF COC(=O)c1sc2cc(-c3ccc(N)cc3)cnc2c1N 66259312 ISZDGSKSNHZLQX-UHFFFAOYSA-N 299.355 2.914 0 1 CFAF O=C(/C=C\c1ccc(O)cc1)OCCc1ccc(O)cc1 218109383 ZCFLGZLKECDZFW-YHYXMXQVSA-N 284.311 2.897 0 1 CFAF Fc1ccccc1-c1nc(CNCCN2CCCC2)co1 72181327 QUUIZRACTLGAOE-UHFFFAOYSA-N 289.354 2.666 0 1 CFAF CN(Cc1ccccc1)Cc1ccc(CNC=O)cc1 71335264 MMEQPYWQAIXFEW-UHFFFAOYSA-N 268.360 2.565 0 1 CFAF CCN/C=C1\N=C(c2ccc(Br)[nH]2)C=C1OC 136606638 HGYCGMMTEYWTCE-YFHOEESVSA-N 296.168 2.561 0 1 CFAF COc1cc2c(cc1O)[C@]13CCC=CC1=CCN3CC2 238780260 IAWWGANPUYFHDD-KRWDZBQOSA-N 269.344 2.744 0 1 CFAF COc1ccc([C@@H]2CN(C)Cc3ccccc32)cn1 473220754 XNBOTHGRHLGURP-HNNXBMFYSA-N 254.333 2.668 0 1 CFAF O=C1OCC(c2ccc(O)cc2)=C1c1cccc(F)c1 299820646 ICMDLBBCAGMTKY-UHFFFAOYSA-N 270.259 2.999 0 1 CFAF Cc1sc2ccccc2c1-c1cc(C(N)=O)nn1C 299831802 ZIDQRKYURLLNPQ-UHFFFAOYSA-N 271.345 2.709 0 1 CFAF FC(F)(F)[C@@](F)(Cl)c1nc2cnc(Cl)[nH]c-2n1 587090694 VUEVZEYSDXLCPF-ZCFIWIBFSA-N 289.019 2.881 0 1 CFAF Cc1nccc2[nH]c(CCC(=O)Nc3cccc(F)c3)nc12 587164132 ZKYPZGJLAHJZGB-UHFFFAOYSA-N 298.321 2.977 0 1 CFAF Clc1ccc(C2=C[C@@H](c3nc4ncc[nH]c-4n3)ON2)cc1 587076196 LEGBKKDCLHIDRL-NSHDSACASA-N 299.721 2.575 0 1 CFAF CCc1ccc2nc([C@@H](O)c3cccc(O)c3)[nH]c2c1 586891058 MRDKWDYXZNVBAP-HNNXBMFYSA-N 268.316 2.913 0 1 CFAF CN[C@@H](c1cccnc1)c1nc2c(C)cnc(Cl)c2[nH]1 587224378 RYELLGOSCKLCAY-NSHDSACASA-N 287.754 2.624 0 1 CFAF O=C1CCC[C@H](c2nc3nc(Cl)c[nH]c-3n2)CC1 586883642 FASBAODWQYIPSL-ZETCQYMHSA-N 264.716 2.575 0 1 CFAF CC1(C)OC(=O)C(c2nc3cc4ccccc4cc3[nH]2)=C1N 587255644 UPTMIMWFMSFEMK-UHFFFAOYSA-N 293.326 2.721 0 1 CFAF Cc1c(F)ccc2nc([C@@H](O)c3cccc(O)c3)[nH]c12 586891167 NHHGUNKNBAHKBI-AWEZNQCLSA-N 272.279 2.798 0 1 CFAF COc1cc2occ(O)c2cc1-c1csc(N)n1 958040007 ABBAEQUALHRWML-UHFFFAOYSA-N 262.290 2.853 0 1 CFAF O=C(O)c1cccc2c1CCN[C@H]2[C@H]1C[C@@H]1C(F)(F)F 963132424 POEXGNVPZAYYOC-SDDRHHMPSA-N 285.265 2.770 0 1 CFAF COc1cccc(-c2n[nH]c(-c3ccccc3CO)n2)c1 5734110 BHBLWLPZKZBBLP-UHFFFAOYSA-N 281.315 2.640 0 1 CFAF Cc1cccc2nc(N3CCN(C)CC3)c3cccn3c12 13801474 FPAYIRCICWYDAX-UHFFFAOYSA-N 280.375 2.548 0 1 CFAF O=C(O)c1ccc([S@](=O)CCCc2ccccc2)cn1 169338971 DRXGHMFWHSKKFB-HXUWFJFHSA-N 289.356 2.520 0 1 CFAF Cc1cc(-c2nc3ccccc3c(=O)n2C)cc(C)c1O 1857557428 HUDXRQZXNDWWAI-UHFFFAOYSA-N 280.327 2.923 0 1 CFAF COc1ccc([C@H]2Oc3ccccc3C[C@H]2O)cc1 4173479 XPXNUSNIJPFVIP-GDBMZVCRSA-N 256.301 2.732 0 1 CFAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(C)cc1)N2C 100309104 MMKZDDDDODERSJ-YHUYYLMFSA-N 273.376 2.734 0 1 CFAF C[C@H](NC(=O)O[C@@H]1[C@H]2C=C[C@H](O)[C@H]1CC2)c1ccccc1 105501510 NYTSBEZBDJWGFP-BPKBQXTESA-N 287.359 2.799 0 1 CFAF O=c1c2ccccc2ncn1CCCCCCn1ccnc1 26379842 DYIORFZFMGFTRQ-UHFFFAOYSA-N 296.374 2.854 0 1 CFAF O=C1OC[C@@H]2[C@@H]1[C@@H]1c3ccccc3[C@@H](O)c3ccccc3[C@@H]21 105479967 KAFDISJYHBMFEQ-AVEIZBFRSA-N 292.334 2.752 0 1 CFAF Cn1cc(-c2csc([C@@H](O)c3ccc(F)cc3)n2)cn1 61908340 COZAQIWUQFDKBR-ZDUSSCGKSA-N 289.335 2.764 0 3 CFAF Cn1cc(-c2cc(C(N)=O)cc3[nH]ncc23)c2ccccc21 116210412 PVWACTSABKDHNX-UHFFFAOYSA-N 290.326 2.821 0 1 CFAF COc1ccc([C@@H]2CC(c3ccco3)=NN2C(C)=O)cc1 66112636 BDNBFLNTGGGOFA-HNNXBMFYSA-N 284.315 2.986 0 1 CFAF O=c1c2cc(O)ccc2ccn1Cc1ccccc1 653771307 BHFHRFOGMATRRK-UHFFFAOYSA-N 251.285 2.755 0 1 CFAF CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(CO)cc2[nH]1 587163966 PLMDSINMURZSHY-MRXNPFEDSA-N 299.349 2.845 0 1 CFAF CCCc1c(O)ccc2c1O[C@](C)([C@@H]1CCNC1)CC2=O 587479598 CLDMLTPXLVKPQH-DIFFPNOSSA-N 289.375 2.678 0 1 CFAF Cc1[nH]c2c(C(=O)O)cccc2c1-c1cnn(C)c1 587639493 YBFYLTKAYCGROO-UHFFFAOYSA-N 255.277 2.575 0 1 CFAF Cc1cccc(OCc2nc3cc(=N)[nH]cc3[nH]2)c1C 587564167 LSFBFRJSJOIEEI-UHFFFAOYSA-N 268.320 2.566 0 1 CFAF CC(C)c1cc2c(O)nc(O)nc2nc1C(C)(C)C 587561431 PYFWQWIMPQEURN-UHFFFAOYSA-N 261.325 2.857 0 1 CFAF Cc1nccc2[nH]c([C@H](C)Sc3ncccn3)nc12 586963955 SAUXUKDVPSPMKN-VIFPVBQESA-N 271.349 2.910 0 1 CFAF Nc1ccc(-c2ccc3nc([C@H]4CC[C@@H]4N)[nH]c3c2)cc1N 587246162 FLVRTCYQMMBUPT-RYUDHWBXSA-N 293.374 2.599 0 1 CFAF COc1nccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c12 587164129 ZJAVKHVLRDTIFP-UHFFFAOYSA-N 299.305 2.921 0 1 CFAF Oc1nc(S)nc2[nH]c(/C=C\c3ccsc3)nc12 587025946 PQXOECKMCJXMPQ-UPHRSURJSA-N 276.346 2.579 0 1 CFAF COc1ccc(N(C)c2ccnc(Cl)n2)cc1O 1857639806 TXRMVMSTCJFNFB-UHFFFAOYSA-N 265.700 2.612 0 1 CFAF COc1cccc2c1C[C@@H](Cc1ccncc1)C2=O 13736290 XENHQKHMSKWYCD-GFCCVEGCSA-N 253.301 2.688 0 1 CFAF CCc1cc(Cc2cnc(N)nc2N)cc(CC)c1CC 13726792 FWGBYLOVKFIONM-UHFFFAOYSA-N 284.407 2.919 0 1 CFAF CNC[C@H]1NC[C@@H](c2ccccc2)c2ccccc21 25965401 UYHHYORUPUOBTL-DLBZAZTESA-N 252.361 2.682 0 1 CFAF CCCCC[C@@H](O)[C@@H](O)C=Cc1cccc(O)c1C=O 2356449108 AZOKWZGGQMSBFD-CVEARBPZSA-N 278.348 2.520 0 1 CFAF Cc1cc(O)c2c(c1)C[C@@H]1C=C(O)C=C(O)[C@@H]1C2=O 2356455551 YHUOZCXVROYNPG-YMTOWFKASA-N 258.273 2.569 0 1 CFAF Nc1cncc(-c2ccccc2O[C@H]2C[C@@H]3CNC[C@H]2C3)c1 58468645 FBNWGQBXLLCHJM-DFHBCGBQSA-N 295.386 2.708 0 1 CFAF CCCOc1nc(NC2CC2)c2ncn(CC3CC3)c2n1 26978716 BHWNBXNLBRTSGJ-UHFFFAOYSA-N 287.367 2.599 0 1 CFAF Cc1nc(/C=C/c2ccccc2)c(C(=O)O)c(C(=O)O)c1O 103241290 UXEIPHRTFRCYLJ-BQYQJAHWSA-N 299.282 2.662 0 1 CFAF O=[N+]([O-])/C(=C\c1ccco1)C1=NCCN1Cc1ccccc1 59085506 JSSOMKPXBVILQR-PTNGSMBKSA-N 297.314 2.812 0 1 CFAF CN(C)C1=N[C@H](c2ccc(N)cc2)c2ccccc2C1 26576779 OOFIWQUZAULGDF-QGZVFWFLSA-N 265.360 2.874 0 1 CFAF CCn1nc(C)c(C(=N)c2cccc(Cl)c2)c1O 29483850 RXJYOXOYQBRSJC-UHFFFAOYSA-N 263.728 2.987 0 1 CFAF CCC[C@H](COC)NC(=O)c1ccc(OC)c(C)c1 114430394 RAUQBCXQNPMQKX-CYBMUJFWSA-N 265.353 2.549 0 1 CFAF CNC[C@@H](O)[C@H](c1ccccc1F)n1ccc2ccccc21 38236785 OSJVAFCFAQCABQ-MSOLQXFVSA-N 298.361 2.950 0 1 CFAF COCCNc1cc(-c2n[nH]c3ccccc23)ccn1 214186675 HOMUPIBYPSXNNB-UHFFFAOYSA-N 268.320 2.683 0 1 CFAF COC(=O)C1=Cc2cc(C(C)(C)C)ccc2OC(=O)C1 1911585306 ABXVMQNUFZZDQK-UHFFFAOYSA-N 274.316 2.850 0 1 CFAF CC(=O)c1cccc(-c2cc(NC[C@@H]3CCCO3)ncn2)c1 82162054 MDAYKVYGVQVEDP-HNNXBMFYSA-N 297.358 2.937 0 1 CFAF CC1(C)OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c2cnco2)O1 40801928 USOUQHHXTRUVHY-RXFDVUBGSA-N 295.335 2.926 0 1 CFAF CC(C)(C#N)c1cc(C(=O)O)cc(C(C)(C)C#N)c1 140789447 VUATUXZRGNXRDW-UHFFFAOYSA-N 256.305 2.987 0 1 CFAF C/C1=C\C[C@@H](O)/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@H]2CC1 238737187 RLHPCSSGTQNSJN-LPPDDFKISA-N 250.338 2.602 0 1 CFAF CC(C)n1ncnc1-n1cc2c(n1)-c1ccccc1OCC2 96269671 HOJHKEIKEYCYDE-UHFFFAOYSA-N 295.346 2.647 0 1 CFAF Oc1ccc2c(c1)C[C@H]1c3cc4c(cc3CCN1C2)OCO4 96930034 BJEUYJVVERSDAG-INIZCTEOSA-N 295.338 2.776 0 1 CFAF COC(=O)N[C@H](C)c1nc2ccc(F)cc2s1 653714827 RMFKERKXXQOSAV-ZCFIWIBFSA-N 254.286 2.852 0 1 CFAF O[C@@H](c1nc2cnc(Cl)[nH]c-2n1)c1ccccc1Cl 587060008 XXDVVFWZZLEGNG-SECBINFHSA-N 295.129 2.693 0 1 CFAF CCc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)on1 587395413 QSVXQAIAOWIHKU-ZDUSSCGKSA-N 272.304 2.834 0 1 CFAF Cc1cc(F)c2[nH]c(-c3cnc(N(C)C)nc3C)nc2c1 587194705 LKGBKSKRFUBCHQ-UHFFFAOYSA-N 285.326 2.842 0 1 CFAF COc1nccc2nc(/C=C/c3ccc(N)cc3)[nH]c12 587251306 BSZRICFGIXEJSZ-QPJJXVBHSA-N 266.304 2.719 0 1 CFAF C[C@@]1(CN=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569594 GVAKGUQCIGQURT-BBRMVZONSA-N 299.282 2.879 0 1 CFAF CC(C)C[C@H](O)c1nc2ccc(OCCN(C)C)cc2[nH]1 586901071 OAJBFBAKNXTAHJ-HNNXBMFYSA-N 291.395 2.583 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1coc(C)n1)[C@@H](C2)C3=O 587435668 IGXKDHFHKKBASU-ZBEGNZNMSA-N 285.299 2.654 0 1 CFAF O=Cc1ccc(N2CC=C(c3ccccc3)N2)cc1 957741140 MZNWNPOWAHYOCO-UHFFFAOYSA-N 250.301 2.865 0 1 CFAF CC(C)c1nn(C)c2c1[C@@H]([C@@H](C)C(F)(F)F)NCC2 962914199 DENZDKBYUQCDFI-PRHODGIISA-N 275.318 2.929 0 1 CFAF CN1C=C(c2ccccc2)[C@@H](c2ccccc2)[C@@H](O)C1=O 13461655 INMHUVDZWKKAOF-IAGOWNOFSA-N 279.339 2.644 0 1 CFAF endogenous,in-man CC(C)(C)N1O[C@H]2C[C@@H]1c1nc3ccccc3n1C2 13657512 NPCGQMDRXCHFDL-GXFFZTMASA-N 257.337 2.895 0 1 CFAF CC(C)N1O[C@@H]2Cn3c(nc4ccccc43)[C@@H]1[C@@H]2C 169300765 JAQMTOUTIIMMFO-HONMWMINSA-N 257.337 2.751 0 3 CFAF CC[C@@H]1O[C@H](C2CC2)CC2=C1C(=O)OC(C)(C)O2 169303841 HHUWMKCWBYBJLX-UWVGGRQHSA-N 252.310 2.528 0 3 CFAF Cc1c(C)n(C2CCCCC2)c2nc(=O)oc(O)c12 169721504 GBPMZOQYCBRLGD-UHFFFAOYSA-N 262.309 2.817 0 1 CFAF O=C1C[N@]2O[C@@]2(c2ccccc2)c2cc(Cl)ccc2N1 1857585513 UXZCEAOLZZBKGQ-YJBOKZPZSA-N 286.718 2.740 0 1 CFAF CCCCCc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1 1857569160 HRNSKKIPHCHWTF-UHFFFAOYSA-N 282.347 2.817 0 1 CFAF CCN(CC)CCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1 29412854 PGFQYCUHNUJMGH-GFCCVEGCSA-N 299.798 2.992 0 1 CFAF C1=NN2C(=NC3=C(Cc4ccccc43)[C@H]2c2ccccc2)N1 3589419 FJAUXSSALRFYNH-QGZVFWFLSA-N 286.338 2.913 0 1 CFAF C[C@H]1CCC[C@H](NC(=O)CSC2=NCCS2)[C@@H]1C 4963384 IITHXNAKYCELDI-AXFHLTTASA-N 286.466 2.763 0 1 CFAF COc1cc(CCCN)c(OC)c2c1[C@@H]1CC[C@H]2C1 27303985 NYKXWXWWQWYQMF-MNOVXSKESA-N 261.365 2.960 0 1 CFAF CC(=O)O[C@H](CC[C@H](C)[C@@H]1C=C[C@@](C)(O)CC1)C(C)(C)O 2356542177 MRRPERXTYAKYME-DPAVQSFQSA-N 298.423 2.823 0 1 CFAF C[S@@](=O)CCCCCCCCCCCNC(N)=S 2356578250 KLTJWWZVRSXPKD-GOSISDBHSA-N 292.514 2.709 0 1 CFAF O=C1Oc2cccc(C(=O)O)c2NC1=Cc1ccccc1 2356699768 INMSMQQFIAUCNQ-UHFFFAOYSA-N 281.267 2.757 0 1 CFAF Cc1cccc(-c2nc(N3CCOCC3)c3[nH]ccc3n2)c1 49069256 QCZLVMRYXDKNES-UHFFFAOYSA-N 294.358 2.770 0 1 CFAF CCCC[C@@H](c1ccccc1)S(=O)(=O)N(C)C 230514147 HUXKBRHMBUMAJZ-ZDUSSCGKSA-N 255.383 2.809 0 3 CFAF Cc1cc(O)c(=O)c(O)cc1C(=O)CC1CCCCC1 299827390 GJOSVXCSTGEWGN-UHFFFAOYSA-N 276.332 2.920 0 1 CFAF N=C(N)c1ccc(Nc2nc3ccccc3[nH]2)cc1 653829405 VGSVGGDUPRAHPH-UHFFFAOYSA-N 251.293 2.591 0 1 CFAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cnncc2[nH]1 587929384 IJEVRFVWRNYQHB-MEDUHNTESA-N 280.331 2.807 0 1 CFAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(=N)[nH]ccc3[nH]2)n1 587080724 XWFMCAVLWDLZRZ-ZETCQYMHSA-N 290.758 2.858 0 1 CFAF Fc1cc(F)c2[nH]c(CCOCC3CC3)nc2c1 587783745 GJDHWFCEGMLWGD-UHFFFAOYSA-N 252.264 2.810 0 1 CFAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(CO)cc2[nH]1 587163964 PLMDSINMURZSHY-INIZCTEOSA-N 299.349 2.845 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C=O)o1)O2 587415216 YWMUOHIDLCIXQL-AWEZNQCLSA-N 271.272 2.689 0 1 CFAF Cc1ccc2nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c2n1 587158831 XXEPGGRHJMBVGL-ZBEGNZNMSA-N 282.322 2.747 0 1 CFAF C[C@]1(c2ccc(C=O)cc2)NCCc2ccc(O)cc21 963328482 GMICNGKDCQSVPM-QGZVFWFLSA-N 267.328 2.614 0 1 CFAF Cc1sc2c(c1C)CCN[C@@]2(C)c1ccncc1N 963020933 IQGJSJKGXBGENT-HNNXBMFYSA-N 273.405 2.751 0 1 CFAF N=C(N)c1ccc2[nH]c(-c3ccccc3O)cc2c1 3591066 JPGNPKIYCTXJPG-UHFFFAOYSA-N 251.289 2.825 0 1 CFAF in-vivo O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1nc2ccccc2s1 101055357 GXTJRDCRVROIFI-PNZRWIHMSA-N 296.351 2.608 0 1 CFAF CC[C@@H]1O[C@@]2(C)C[C@@H](S(=O)(=O)c3ccccc3)C[C@H]1O2 105270209 KYUURSSCXNRXMX-BYNSBNAKSA-N 296.388 2.533 0 1 CFAF CCC(CC)NC(=S)c1ccc(O)c(OC)c1 66139683 YYNIOAPYKHRKHV-UHFFFAOYSA-N 253.367 2.855 0 1 CFAF CO[C@H]1C=CCCC(C)=CCC(C)=CC(=O)O[C@H](CO)C1 2356550229 QFQKOFIKPPGGPV-HOTGVXAUSA-N 294.391 2.928 0 1 CFAF CCCCN(C(C)=O)[C@@H](CC)C(=O)NCc1ccccc1 2356842701 MXKPYCHUJZMVCS-INIZCTEOSA-N 290.407 2.730 0 1 CFAF Clc1ncn2c1Cc1cncnc1-c1ccccc1-2 45289307 LHJXXKZBWKIDFU-UHFFFAOYSA-N 268.707 2.887 0 1 CFAF COC(=O)C[C@@H]1CCC[C@H](C[C@H](O)c2ccccc2)N1C 238764989 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OCc1cccc(-c2nc3c(Cl)ccnc3[nH]2)c1 586895138 QMPQNBDXJGZGMS-UHFFFAOYSA-N 259.696 2.771 0 1 CFAF COc1ccc(C=O)c(-c2nc3nc(C)ccc3[nH]2)c1OC 587793835 LSBJYWLEHBOVOF-UHFFFAOYSA-N 297.314 2.763 0 1 CFAF CCOC(=O)[C@@H](CC(C)=O)c1cc2c3c(cccc3n1)CC2 587211309 DKLRGNHGMFFNAC-AWEZNQCLSA-N 297.354 2.959 0 1 CFAF C[C@@H](F)[C@@H](N)c1nc2ccc(F)c(Br)c2[nH]1 587125560 SHBXEVLHASCPAR-SPGJFGJESA-N 290.111 2.822 0 1 CFAF COC(=O)/C=C/[C@@H]1[C@H]2[C@@]3(CC[C@H](C)[C@@]12C)OCCS3 5833881 KEMPVPODOJBOPZ-BEXBWMOMSA-N 282.405 2.858 0 1 CFAF CCN(c1ccc2[nH]c(=O)c(C)nc2n1)C1CCCCC1 11328275 PTACJEMCFYCICD-UHFFFAOYSA-N 286.379 2.786 0 1 CFAF Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(CCO)C1 12455637 VRZVTCFPJBMWRA-GFCCVEGCSA-N 281.783 2.535 0 1 CFAF Oc1noc(C2CCNCC2)c1CC1CCCCC1 13473969 MNXNLRWKCYWCRU-UHFFFAOYSA-N 264.369 2.970 0 1 CFAF CC(C)Nc1nc2sc3c(c2c(=O)o1)CCCC3 13678148 LPEJWKTWRFIRAS-UHFFFAOYSA-N 264.350 2.949 0 1 CFAF CCCN(c1ncnc2nc[nH]c12)n1ccc2ccccc21 13745968 YLXLGAOEMZMTCN-UHFFFAOYSA-N 292.346 2.987 0 1 CFAF CCC(=O)Nc1n[nH]c2ncc(-c3ccc(O)cc3)cc12 1857759713 BRRMXZJHBNJKLR-UHFFFAOYSA-N 282.303 2.679 0 1 CFAF CC(=O)NC(=O)N(O)[C@@H](C)c1cc2ccccc2s1 14434 ONAFXCMLXCRAGO-QMMMGPOBSA-N 278.333 2.910 0 1 CFAF Cc1ccccc1Cc1nc2ccccc2[nH]c1=O 353237 NXUWOIRGVZWKGH-UHFFFAOYSA-N 250.301 2.822 0 1 CFAF OC1=C[C@@H](O)C2=CC(O)=C(c3ccccc3)OC2=C1 2356328986 OJVQVNFDMCMPAU-GFCCVEGCSA-N 256.257 2.570 0 1 CFAF COc1ccc(C2=NNC[C@@H]2c2ccccc2)c(OC)c1 103213107 FXYXNBWKAUGOJS-OAHLLOKOSA-N 282.343 2.795 0 1 CFAF CNC(=S)N1N=C(c2ccco2)C[C@H]1c1ccccc1 28707031 JIXOBUFYVFIOGC-ZDUSSCGKSA-N 285.372 2.935 0 1 CFAF c1cncc(-c2nc3c[nH]n(Cc4cccs4)c-3n2)c1 103590371 JLXHFPZVWQPXKG-UHFFFAOYSA-N 281.344 2.883 0 1 CFAF COc1ccc2c(c1)O[C@@H]1COc3ccccc3[C@@H]1C2=O 29346975 XMTWIAHPZMPASQ-CVEARBPZSA-N 282.295 2.815 0 1 CFAF O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)NCC3 27856135 NKNDTIWWSXRMCF-UHFFFAOYSA-N 254.211 2.515 0 1 CFAF CN1C(=O)CC[C@@H]2[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 29413777 SQCYNKYOQAZHHL-VITVNWPHSA-N 291.435 2.821 0 1 CFAF c1ccc(Cc2cn(-c3ccc4[nH]ncc4c3)nn2)cc1 63298310 VSVKFEMFAYXZKR-UHFFFAOYSA-N 275.315 2.734 0 1 CFAF O[C@](c1cccnc1)(c1cncnc1)c1ccccc1Cl 72102371 MSAOCTXGBAGSRS-MRXNPFEDSA-N 297.745 2.809 0 1 CFAF O=C(c1ccccc1)c1ccc(-c2nnc(S)[nH]2)cc1 73224257 YOZFICAKUUCVET-UHFFFAOYSA-N 281.340 2.991 0 1 CFAF COC(=O)C/C=C1/c2ccc3c(c2[C@H](OC)[C@H]1C)OCO3 195487563 ZQDNTSRZBRBSHA-PPZATWSDSA-N 290.315 2.699 0 1 CFAF c1ccc(CN[C@H]2[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)cc1 261192999 ZWCQZHOWEDKJBN-QDAZCEPVSA-N 251.373 2.923 0 1 CFAF CCNC(=O)NC(=O)c1ccccc1OCc1ccccc1 299871577 YSCRRCRVAKCJCB-UHFFFAOYSA-N 298.342 2.725 0 1 CFAF N[C@@H](Cc1ccccc1Cl)c1nc2ccnc(O)c2[nH]1 587058877 KFKPCMOWFZZZDC-JTQLQIEISA-N 288.738 2.559 0 1 CFAF CN(C)/C=C/[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587509476 CZMIQAPGDBBZOT-WTNCMQEWSA-N 271.360 2.975 0 1 CFAF COc1ccc(O)n1NCc1ccccc1Br 587939455 DQWDFXPSTADVEP-UHFFFAOYSA-N 297.152 2.709 0 1 CFAF COc1cc2nc([C@H]3CCCC(=O)CC3)[nH]c2cn1 586887931 VKTXXANHWWMPMT-VIFPVBQESA-N 259.309 2.583 0 1 CFAF COc1nccc2nc(-c3ccc(F)c(F)c3)[nH]c12 587145744 RFOVRPDCEDOLLG-UHFFFAOYSA-N 261.231 2.912 0 1 CFAF Cc1cnc2[nH]c([C@@H]3C[C@@H](O)c4ccccc43)nc2c1 586903889 QVMKGWFQVIUABC-TZMCWYRMSA-N 265.316 2.835 0 1 CFAF FC(F)(F)OCc1nc2c(Br)ccnc2[nH]1 587123329 HXGVIOXKXNOEAV-UHFFFAOYSA-N 296.046 2.757 0 1 CFAF COc1cc(OC)c2[nH]c(C[C@@H]3CCC(=O)[C@@H]3C)nc2c1 587963717 QZKKGIHSUGVWHP-ZJUUUORDSA-N 288.347 2.738 0 1 CFAF COc1cc2[nH]c(-c3cc(F)cnc3OC)nc2cc1F 587176050 KNNIIQXIJQGCQH-UHFFFAOYSA-N 291.257 2.920 0 1 CFAF Fc1cccc([C@@H]2C[C@H]2c2nc3cncnc3[nH]2)c1F 587152831 SFIYVZODARALFY-DTWKUNHWSA-N 272.258 2.902 0 1 CFAF COc1cc2nc(COC(F)(F)F)[nH]c2cc1C 587125149 QHZFGNPZSGSWHQ-UHFFFAOYSA-N 260.215 2.916 0 1 CFAF O=C1C[C@@H](c2cccc3ccc(Cl)cc23)C(=O)N1 1772598758 ASDZSOIHNZDMMA-LBPRGKRZSA-N 259.692 2.623 0 1 CFAF O=c1ccccn1C[C@@H]1CCCN(Cc2ccccc2)C1 13686295 BVHSHDLWBLTBGD-QGZVFWFLSA-N 282.387 2.761 0 1 CFAF Nc1ccc(C(F)(F)F)cc1NC(=O)c1cccnc1 29127139 UBQWMGRUZVYOPY-UHFFFAOYSA-N 281.237 2.935 0 1 CFAF CCO[C@@H]1C[C@@H]2C(C)(C)CCC[C@@]2(C)C2=C1C(=O)O[C@H]2O 2356861662 ULNDEDWNCOHSHX-ZQRCZSBXSA-N 294.391 2.800 0 1 CFAF NC(=O)[C@H]1CCC[C@@H]2c3cc(Cl)ccc3N[C@@H]12 40764123 NYORQUCSPQVLTE-VDDIYKPWSA-N 250.729 2.503 0 1 CFAF CC(C)CCCCCCCCNS(=O)(=O)O 138285394 GAYAKNYWWOBJHZ-UHFFFAOYSA-N 251.392 2.766 0 1 CFAF in-vitro CCCCCC[C@H]([C@@H](C)O)n1cnc(C(=O)OCC)c1 40828485 BUIINKWOKBENCT-TZMCWYRMSA-N 282.384 2.952 0 1 CFAF Nc1ccc(Nc2ccc(Cl)cc2)c2c(=O)[nH]cnc12 96937616 QSOMKPPIWSNTJQ-UHFFFAOYSA-N 286.722 2.902 0 1 CFAF Cc1cc2c(cc1C)C(=O)[C@]1(OC(=O)c3ccccc31)O2 95591736 NGVKYIXMNSFOSD-KRWDZBQOSA-N 280.279 2.902 0 1 CFAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cnccc2[nH]1 587069808 LFRQTVPZKXICCS-LLVKDONJSA-N 286.766 2.896 0 1 CFAF COC(=O)c1ccc2nc(Cc3cc(N)ccc3F)[nH]c2c1 587141578 VLFOQNJWFNNOOX-UHFFFAOYSA-N 299.305 2.662 0 1 CFAF N=c1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2c[nH]1 587153014 UUTQTPKMPOJRGH-RKDXNWHRSA-N 286.285 2.920 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCCCC(=O)O)O2 587407800 KZUMKYSYZXAHDH-MRXNPFEDSA-N 291.347 2.946 0 1 CFAF CCOCCOCc1nc2ccc(C(C)(C)C)nc2[nH]1 587777884 FDXBQTJFHINWRE-UHFFFAOYSA-N 277.368 2.809 0 1 CFAF Nc1ccnc2[nH]c(-c3ncoc3CCC(F)(F)F)nc12 587091801 JHHFIXYKFKNAJY-UHFFFAOYSA-N 297.240 2.690 0 1 CFAF Oc1c(F)cc(F)cc1-c1nc2cnc(Cl)[nH]c-2n1 587134988 ZEAIBELDHITDIH-UHFFFAOYSA-N 282.637 2.609 0 1 CFAF CCOC(=O)c1cncn1[C@@H](C)c1ccc(F)cc1 13282253 PTPSMJOSZBOCNF-JTQLQIEISA-N 262.284 2.808 0 1 CFAF O=C1c2ccccc2C2=NC(=S)N[C@H](c3ccccc3)[C@@H]12 169726026 ORDBGAKTGTYTFW-ZIAGYGMSSA-N 292.363 2.918 0 1 CFAF CC(C)(N)CNc1cc(-c2ccncc2)nc2cnccc12 1857541802 CIBVMRVUYYRWAO-UHFFFAOYSA-N 293.374 2.841 0 1 CFAF COc1ccc([C@H]2CC(=O)Nc3ccccc32)cc1O 1857544831 HATINIYXTZEYGI-GFCCVEGCSA-N 269.300 2.875 0 1 CFAF CCN(CC)CC[C@@](CC(C)C)(C(N)=O)c1ccccn1 27520918 SJVQIKNCKWJQLG-KRWDZBQOSA-N 291.439 2.583 0 1 CFAF CC(C)(O)CCC[C@@](C)(O)c1ccc(C(=O)O)cc1 2356330549 SUKCYURWDIHIHE-OAHLLOKOSA-N 266.337 2.534 0 1 CFAF COc1cc([C@@H]2O[C@H](OC)[C@H](C)[C@@H]2C)cc(OC)c1O 2356437468 TUWUTXXFNYPXGV-MRLZPSRLSA-N 282.336 2.725 0 1 CFAF O=C(O)CO[C@@H](c1cccs1)c1cccnc1Cl 103259543 PNKJYVDXAXZDPO-LLVKDONJSA-N 283.736 2.987 0 1 CFAF COCC(=O)N1CC[C@@H]2C[C@@H]1c1cc(Cl)ccc12 102884124 LEMBIGHNQMCFBL-NOZJJQNGSA-N 265.740 2.747 0 1 CFAF Cc1ccc(COc2ccc3c(c2)C(=O)NCCO3)cc1 103280353 HUIQQLDUXYBVHR-UHFFFAOYSA-N 283.327 2.696 0 1 CFAF C[C@@H](Nc1cccc(C(=O)c2ccccc2)c1)C(=O)O 53064437 VSLOHNFBBSHFKP-LLVKDONJSA-N 269.300 2.803 0 1 CFAF CCOC(=O)c1c(C)nc2c(c1N)c1ccccc1n2C 29561297 QVSXXDDEWUXYPT-UHFFFAOYSA-N 283.331 2.794 0 1 CFAF C[C@@H](O)c1onc(-c2cccs2)c1C(=O)NC1CCC1 2356302817 CTTYUCUVZMQARK-MRVPVSSYSA-N 292.360 2.739 0 1 CFAF COc1cc(O)cc(Cn2c(=O)oc3ccc(C)cc32)c1 64548596 WWIXHPUFFWGGFR-UHFFFAOYSA-N 285.299 2.665 0 1 CFAF Nc1ccc2c(c1)c1c(n2CCC(=O)O)CCCC1 28335007 OSDDSAKQOHZOQB-UHFFFAOYSA-N 258.321 2.577 0 1 CFAF C[C@@H]1CC[C@]2(C)C(C)(C)[C@H]3C[C@@]12[C@@H](O)C=C3C(=O)O 2356752755 OHVOURKKOMEQPG-HTJBVVOSSA-N 264.365 2.841 0 1 CFAF Cc1cc2c(c(C)c1CCO)CC(C)(C)[C@@H]2O[N+](=O)[O-] 2356851511 QIHFJNSAUSDDHJ-CQSZACIVSA-N 279.336 2.670 0 1 CFAF COc1cc2c(cc1O)OC[C@H](c1ccc(O)cc1)C2 34316957 UIGOOLXQMJUBBW-GFCCVEGCSA-N 272.300 2.825 0 1 CFAF endogenous,in-man CCOc1ccccc1OC[C@H]1CN(C2CCC2)CCO1 40974033 ATDVXPMJJCNASN-OAHLLOKOSA-N 291.391 2.717 0 1 CFAF O=[SH](=O)Nc1sccc1-c1nc2ccccc2s1 42922190 KTFAJWHCSHNKSW-UHFFFAOYSA-N 296.398 2.963 0 1 CFAF C[C@@H]1Nc2c(-c3ccco3)cc(Cl)cc2S(=O)(=O)N1 84670073 GQHAUESUFWMGGZ-SSDOTTSWSA-N 298.751 2.650 0 1 CFAF C=COC(=O)N1[C@H]2CCC[C@](Cl)(C(C)=O)[C@H]1CC2 254111128 BEOIGTMHOGUMPJ-LOWVWBTDSA-N 271.744 2.850 0 1 CFAF N[C@H](c1ccsc1)c1nc2cncc(Cl)c2[nH]1 587026062 UGXNXUIIGHBHIV-SECBINFHSA-N 264.741 2.721 0 1 CFAF CC(=O)c1ccc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c2c1 587249227 JQANAMFBOZKBHE-UHFFFAOYSA-N 295.298 2.713 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)ccn1)O2 587384731 NVWQKQDNBPZSMG-AWEZNQCLSA-N 272.279 2.818 0 1 CFAF CCn1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C 587392202 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293.248 2.855 0 1 CFAF NC(=O)N(O)[C@H]1C[C@H](c2cc3ccccc3s2)C1 253665242 HZUKONWCAIZARL-MGCOHNPYSA-N 262.334 2.917 0 1 CFAF Oc1nccc2nc(-c3cc(S)ccc3F)[nH]c12 587142863 OHTPSHKBVQCDAQ-UHFFFAOYSA-N 261.281 2.758 0 1 CFAF Cc1cncc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c12 587245025 UXGWUSFBOYTQGU-FPLPWBNLSA-N 278.315 2.918 0 1 CFAF Cc1cc(C)c2[nH]c([C@H](N)Cc3cscn3)nc2c1 587029966 WCLGBBNOQWWZED-LLVKDONJSA-N 272.377 2.879 0 1 CFAF COC(=O)C(F)(F)c1nc2cccc3c2c(c1C)CC3 587210664 UYYZOGBCOVLFFX-UHFFFAOYSA-N 277.270 2.907 0 1 CFAF Cc1[nH]c2c(C(=O)O)cccc2c1-n1nccc1C 587639407 VAYYRLUVDWEZRE-UHFFFAOYSA-N 255.277 2.669 0 1 CFAF Fc1ccc(OCc2nc3c(Cl)ncnc3[nH]2)cc1 587168037 DDIWHGFFPCUPAO-UHFFFAOYSA-N 278.674 2.724 0 1 CFAF Cc1cc2c(cc1F)[C@@H](C(=O)c1cccc(O)c1)NCC2 962088262 DQBDCFKTRGTKSZ-INIZCTEOSA-N 285.318 2.909 0 1 CFAF Cn1cc(-c2cccc(C(F)(F)F)c2)n2cncc2c1=O 1857603651 BSVVXCZRVKXUEO-UHFFFAOYSA-N 293.248 2.719 0 1 CFAF C[C@@]1(c2cc(Cl)c(Cl)cc2Cl)NC(=O)NC1=O 5575287 JBVDVNGVVKKSNG-JTQLQIEISA-N 293.537 2.701 0 1 CFAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CCN43)[C@@H]1CCC2=O 13605676 VWYXLVRVZRLBLR-YLVYSCNESA-N 275.392 2.578 0 1 CFAF C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 169300936 SZNBRPRZLSIWNS-TWKQKOHVSA-N 293.366 2.801 0 1 CFAF NCc1ccc2c(-c3cccc(C(N)=S)c3)c[nH]c2c1 1857602786 YROXDOAFLCALCI-UHFFFAOYSA-N 281.384 2.928 0 1 CFAF COc1ccc([C@H](O)COC(=O)/C=C/c2ccccc2)cc1 1857749471 JXBDWAHBXHXBFW-SNQZOLJRSA-N 298.338 2.985 0 1 CFAF c1ccc2c(c1)N=C(N1CCNCC1)c1sccc1N2 28000987 CTBOSJODJVJXCR-UHFFFAOYSA-N 284.388 2.789 0 1 CFAF O=c1[nH]c2ccsc2c(=O)n1-c1ccc(F)c(Cl)c1 248573 DNHRVOGULBYEDC-UHFFFAOYSA-N 296.710 2.533 0 3 CFAF C[C@H]1Oc2ccccc2N(CC(=O)c2ccc(F)cc2)C1=O 1328466 XAOUJCYDVYNFPA-LLVKDONJSA-N 299.301 2.823 0 3 CFAF CC[C@H](C)NC(=O)CCC(=O)n1ncc2c(C)cccc21 6750224 ZRQYNPIPJOIILQ-LBPRGKRZSA-N 287.363 2.680 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C[C@H]2CC[C@H]1O2 100796011 UNNABHWRKRTYKT-AAVRWANBSA-N 264.296 2.650 0 1 CFAF CCCc1cc2c(=O)n3cc(C(=O)O)ccc3nc2s1 28000996 PUTJLNDWWHXIIC-UHFFFAOYSA-N 288.328 2.560 0 1 CFAF Nc1ccc(-c2cc(/C=C3/CN4CC[C@@H]3C4)on2)cc1 26668221 BEURYPRTOCSHLD-BFTHVDOESA-N 267.332 2.643 0 1 CFAF CCCC=CC[C@]1(O)C2=C3[C@H](CC[C@H]3NC(=N)N2)C[C@@H]1C 2356573685 WTICYUAMPJXZON-SFDCBXKLSA-N 289.423 2.664 0 1 CFAF CC1=CCC(=O)[C@H](C)C[C@@H]2OC(=O)[C@H](C)[C@@H]2CC1 2356618249 KLZWSNKEPLKAOS-NMKXLXIOSA-N 250.338 2.890 0 1 CFAF Cc1nn(C)c2c1nc(C)n1cc(Cc3ccccc3)nc21 27524863 KNKHANHDPGAJSA-UHFFFAOYSA-N 291.358 2.824 0 1 CFAF O[C@@]1(c2ccc3ccccc3c2)CN2CCCC[C@@H]2CO1 64527866 KIUXJGCEGRJTFF-MSOLQXFVSA-N 283.371 2.870 0 1 CFAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccccc1 2356810149 AWWFFQQKMRFNDL-IJEWVQPXSA-N 287.407 2.929 0 1 CFAF COc1c(C=O)c(OC)c(C(C)=O)c2c1CCC(C)(C)O2 66078384 LTXNTSSGGYLHBW-UHFFFAOYSA-N 292.331 2.823 0 1 CFAF COc1ccc([C@@H]2CC(=O)c3ccc(O)cc3O2)cc1C=O 238741664 QWIZXJKBASERLU-INIZCTEOSA-N 298.294 2.920 0 1 CFAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(C1CC1)[C@@H](C2)C3=O 587430297 TZFDZNAJDKTIFU-LKCQJKFCSA-N 299.370 2.667 0 1 CFAF COc1cc2nc([C@@H](O)c3ccccc3Cl)[nH]c2cn1 587059335 ORLYOZIQIAEAFA-ZDUSSCGKSA-N 289.722 2.702 0 1 CFAF COc1cc2nc([C@@H](N)[C@H](C)F)[nH]c2cc1Cl 587125542 SFUCRRRVZPPDGS-RRAGMBSWSA-N 257.696 2.583 0 1 CFAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccncc1 587638970 LNWIOJYLZNYNRC-UHFFFAOYSA-N 280.283 2.801 0 1 CFAF c1cc2c3c(c4c(nc3c1)CC1(CC4)OCCO1)CC2 587215194 CWVNKIIGZNTBDE-UHFFFAOYSA-N 267.328 2.565 0 1 CFAF N[C@@H](N=O)c1ccc(Cn2cnc3ccccc32)cc1 958579516 JRZLNDOFMZHCPH-HNNXBMFYSA-N 266.304 2.808 0 1 CFAF C[C@](OC1(C(=O)O)CCCCC1)(C(=O)O)c1ccccc1 169343460 CFKKAUMQKYBYSG-OAHLLOKOSA-N 292.331 2.791 0 1 CFAF O=c1oc2ccc(Cl)cc2c2nc(-c3ccoc3)nn12 13741682 ZWBPBPJOTUNZLM-UHFFFAOYSA-N 287.662 2.749 0 1 CFAF COc1ccc(CCC(=O)n2cccc2)cc1OC 14652195 BUYBHBORFUJCKY-UHFFFAOYSA-N 259.305 2.778 0 1 CFAF OC12C[C@H]3CC(C[C@@H](C3)C1)N2Cc1ccc(F)cc1 169294707 FKKAECOHQYDEIW-KCNJBTMXSA-N 261.340 2.909 0 1 CFAF CC(C)[C@H](CO)NCc1nc(-c2ccoc2)ccc1F 204407206 VWIBWWDXAVTELL-HNNXBMFYSA-N 278.327 2.587 0 1 CFAF CNC(=O)Nc1cc(Oc2ccccc2F)ccn1 1857538877 KCXPSRRPQGRSSN-UHFFFAOYSA-N 261.256 2.764 0 1 CFAF Cc1cc2cc(O[C@@H]3C[C@@H]4CC[C@H](C3)N4)ccc2oc1=O 1857757294 CQJYLBTXDZXLEK-NHAGDIPZSA-N 285.343 2.763 0 1 CFAF CCc1c2c(c(C)[nH]c1=O)C[C@@H](c1ccncc1)CC2 3849 IITRYRLGHKBVST-ZDUSSCGKSA-N 268.360 2.913 0 1 CFAF COC(=O)[C@@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1 2555641 WDQRGVNLHQEIOT-OAHLLOKOSA-N 264.321 2.574 0 1 CFAF CC1=NN(C(=O)c2ccccc2F)[C@@](O)(c2ccccc2)C1 4165372 FROKKSHDBGDKBF-KRWDZBQOSA-N 298.317 2.893 0 1 CFAF c1ccc(CC[C@@]2(C3=NCCN3)Cc3ccccc3O2)cc1 27650302 ISDRDKXMEQILFL-IBGZPJMESA-N 292.382 2.995 0 1 CFAF CC1=C[C@@H]2Cc3nc(O)ccc3[C@@]3(C1)NCCC(C)=C23 29320821 OBAHRUDJHVVJQM-SJKOYZFVSA-N 268.360 2.815 0 1 CFAF CO[C@@H]1CC(=O)CC[C@@]1(O)CC=Cc1ccccc1 2356521106 KFMVODFIRJNHQI-CVEARBPZSA-N 260.333 2.589 0 1 CFAF C=C(O[C@@H]1C[C@H]2CC[C@@H]([C@H]1C(=O)O)N2C)c1ccccc1 2356533581 KZFBHCCLJSAHBQ-QKPAOTATSA-N 287.359 2.610 0 1 CFAF CCCCOc1cc(C)c(NC(=O)[C@@H](C)N)c(C)c1 39245173 SWWACRQMECSAGR-GFCCVEGCSA-N 264.369 2.768 0 1 CFAF CC1=NC(S[C@H](C(=O)O)C2CCCCC2)=NC(=O)C1 72136947 ZFAKWIWLINORBW-NSHDSACASA-N 282.365 2.500 0 1 CFAF C[C@H]1[C@@H]2Cc3cc4nn[nH]c4cc3[C@@]1(C)CCN2CC1CC1 40403029 VKWYVNKUABAQRG-NBHSMZAVSA-N 296.418 2.892 0 1 CFAF COc1cc2nc(CCOCC3CC3)[nH]c2cc1F 587783500 TXIRQSOVXMNXMC-UHFFFAOYSA-N 264.300 2.680 0 1 CFAF Cc1nccc2nc(-c3n[nH]c4c(F)cccc34)[nH]c12 587176454 KRLOPUNYBYUOCW-UHFFFAOYSA-N 267.267 2.949 0 1 CFAF N=c1[nH]ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c12 587960371 LDZMWOPGBFHAPM-RYUDHWBXSA-N 264.332 2.717 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](c1cnccn1)CC2=O 587492805 XNIOJLZZLYSWSY-OAHLLOKOSA-N 284.315 2.841 0 1 CFAF CCCn1cnc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587389224 GDFYHUMFHIANFP-OAHLLOKOSA-N 285.347 2.890 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccnc(F)c1)[C@@H](C2)C3=O 587426383 CWPDDSJEFZWHMN-ZBEGNZNMSA-N 285.274 2.718 0 1 CFAF C1=C[C@@H]2C[C@H]1C[C@H]2c1nc2cc3c(cc2[nH]1)OCO3 587968166 VUCNUYDIMVNQTG-IVZWLZJFSA-N 254.289 2.971 0 1 CFAF CN(C)C(=O)c1ccc2nc([C@@H]3CCCC(=O)CC3)[nH]c2c1 586888161 WRVZZEZCZXOJAS-LLVKDONJSA-N 299.374 2.882 0 1 CFAF C/C(N)=C\[C@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21 963089419 HKLYHAYRZLEPSQ-KZFBXYQYSA-N 260.356 2.924 0 1 CFAF O=C(CCSc1nc2ccccc2o1)N1CCCC1 59133753 ZZEPVJZKBKIEEJ-UHFFFAOYSA-N 276.361 2.932 0 1 CFAF Cc1nnc2sc(C(=O)c3ccncc3)c(N)c2c1C 1857607219 XHXPFWFGRFPZFW-UHFFFAOYSA-N 284.344 2.516 0 1 CFAF Oc1noc(C2CCNCC2)c1CCc1ccccc1 13473971 FOGJNKJVPBLEQH-UHFFFAOYSA-N 272.348 2.632 0 1 CFAF CCc1c(OC)nc2nc(-c3cc(C)no3)cn2c1C 13822435 YGXLDNYBGRSQLJ-UHFFFAOYSA-N 272.308 2.572 0 1 CFAF CN(C)CCCc1nc(-c2cn(C)c3ccccc23)no1 13860824 ODRMTVRXFPHOFH-UHFFFAOYSA-N 284.363 2.723 0 1 CFAF COCOc1cccc(C[C@@H]2Cc3cccc(O)c3C2=O)c1 1857633355 WCQTZDVHDQXYPP-CQSZACIVSA-N 298.338 2.973 0 1 CFAF CCC[C@H](C)CNC(=O)OCCCc1c[nH]cn1 13793902 LPIYSDRZAIUAIP-NSHDSACASA-N 253.346 2.505 0 1 CFAF Cc1nnc2c(O)nc3cc(Cl)c(Cl)cc3n12 7114 ZOGRFURBKPHFIM-UHFFFAOYSA-N 269.091 2.598 0 1 CFAF CN1N=C(c2ccncc2)O[C@@H]1c1cccc(F)c1 1643554 DYWOOPBDKMDOHC-CQSZACIVSA-N 257.268 2.543 0 1 CFAF CC1=CCC[C@H](C)[C@H](C)OC(=O)C=C[C@@](C)(O)C=C[C@@H]1O 2356401876 RLNOIXQIRICASI-QEWYBTABSA-N 294.391 2.519 0 1 CFAF O=C1C[C@H](c2ccccc2Br)n2ccnc2N1 101714009 AICBMMWWEMLDLE-SNVBAGLBSA-N 292.136 2.577 0 1 CFAF CCCc1nc(C)c2c(C(C)C)nnc(S)n12 29411439 ICJCPJSKJNTTMF-UHFFFAOYSA-N 250.371 2.797 0 1 CFAF O=c1c2ccccc2nc(-n2ccnc2)n1-c1ccccc1 66251686 WBBCSELLZSHFNM-UHFFFAOYSA-N 288.310 2.571 0 1 CFAF CC1=CC=C[C@](C)(O)CCC(=O)O[C@H](C)[C@H](C)CC[C@H]1O 2356449099 AIPQJEGNCNESPP-MMTVNHQJSA-N 296.407 2.743 0 1 CFAF C[C@@H]1C(=O)OC2=C1[C@H](O)[C@@]1(C)[C@@H](CCC[C@H]1C)C2 2356559036 VMUFDWQSKQTRRF-IUSAVQQQSA-N 250.338 2.641 0 1 CFAF COc1ccc2c(c1)[C@H](CO)[C@H]1[C@]2(C)CCC[C@@]1(C)CO 2356573199 CQFAKEZQTNGFFI-XOYOTBSWSA-N 290.403 2.841 0 1 CFAF Fc1ccc2[nH]c3c(c2c1)CN(CCc1cnccn1)CC3 29485476 HZSKAWJYTNOVBY-UHFFFAOYSA-N 296.349 2.698 0 1 CFAF CCc1c(C)c2ccc(OC(C)=O)c(C(C)=O)c2oc1=O 73278403 JWIMOEVJMXAVGP-UHFFFAOYSA-N 288.299 2.792 0 1 CFAF Cc1c(CNC2CCCC2)nnn1-c1ccc(F)c(F)c1 43068887 CLESYYRJXQSKDI-UHFFFAOYSA-N 292.333 2.886 0 1 CFAF COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1cccs1)O2 84602357 BFJBGRWXGVSGLZ-MWGHHZFTSA-N 252.335 2.572 0 1 CFAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cccnc2[nH]1 587041853 GWYMRTZVQIOQIL-JTQLQIEISA-N 290.392 2.578 0 1 CFAF N=c1[nH]ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c12 587161420 NRCRJIGVRBCSBO-WDEREUQCSA-N 268.295 2.781 0 1 CFAF CC1(C)OC(=O)C[C@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 586912786 XIDVOTRKNSWANN-ZETCQYMHSA-N 299.252 2.786 0 1 CFAF COc1cc2c3c(c1)O[C@H](C[C@@H]1CCCOC1)[C@@H](C2)C3=O 587454275 SDHPNEDJFISUBR-ZLKJLUDKSA-N 288.343 2.628 0 1 CFAF Oc1cccc(CCc2nc3cc4cn[nH]c4cc3[nH]2)c1 586896727 WFFRKCFNLPEKLE-UHFFFAOYSA-N 278.315 2.930 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nccs1)O2 587413537 PDRXFMOUUVRXAT-LLVKDONJSA-N 260.318 2.740 0 1 CFAF COc1c(F)ccc(-c2nc3c(C)ccnc3[nH]2)c1N 587132573 DKWFNILVDZIFBU-UHFFFAOYSA-N 272.283 2.663 0 1 CFAF COCOCC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587525063 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CC(=CCC[C@@]1(C)[C@H]2CC[C@@H](C2)[C@@]1(C)O)C(=O)O 2356418646 QPVGQZZKAUMQSM-NZBPQXDJSA-N 252.354 2.985 0 1 CFAF CCC(=O)C1(c2cccc(O)c2)CCN(CC)CC1 26658944 XCAMYZFCUDXNFH-UHFFFAOYSA-N 261.365 2.725 0 1 CFAF CC=C1CN2CC[C@]3(O)c4c(cnc5ccccc45)[C@H]1C[C@@H]23 2356445235 ZDKCWAXXBACWIF-POZUXBRTSA-N 292.382 2.944 0 1 CFAF Cc1ccc([C@H]2N(c3cc(C)on3)C(=O)[C@H]3CCCN32)cc1 59814398 KKRZRZAJAVDEEL-GDBMZVCRSA-N 297.358 2.801 0 3 CFAF COc1ccc2c(c1)[C@]13CCN(C)[C@H](C2)[C@H]1CCC(=O)C3 29471350 FCJHDGUWJDXJKI-NXHRZFHOSA-N 285.387 2.562 0 1 CFAF CC(=O)O[C@@H]1C=C(C)C[C@H](O)[C@H](O)C(C)=CC[C@H]1C(C)C 2356584529 GWHDNXVDPMZMEC-MWDXBVQZSA-N 296.407 2.599 0 1 CFAF C[C@@H]1Cc2ncccc2[C@H](C[C@H]2C[C@@H](O)CCN2C)C1 2356742948 NKFHPKWLZWHZNQ-AJNGGQMLSA-N 274.408 2.593 0 1 CFAF CC1=C2CC[C@](C)(O)[C@@H]2CC2=C(C)C(=O)O[C@]2(C)C1 2356756377 XFKBZIHXTPWMQJ-VNQPRFMTSA-N 262.349 2.890 0 1 CFAF O=C1COC(C2CCCCC2)=NN1c1ccccc1 34021989 SFGRVSHMNFXKBK-UHFFFAOYSA-N 258.321 2.944 0 1 CFAF CN1C(=O)[C@]23CCC[C@H]2C[C@@]1(c1ccccc1)S3 31904796 YTAYZILMDPNPLZ-QEJZJMRPSA-N 259.374 2.987 0 1 CFAF c1csc(C2=NO[C@@H](c3ccc4c(c3)OCO4)O2)c1 72116624 VIHPYXXLEQUSDV-ZDUSSCGKSA-N 275.285 2.884 0 1 CFAF COC(=O)c1cc2ccccn2c1C(=O)c1ccccc1 71295307 VCRUZJNDJRVBRE-UHFFFAOYSA-N 279.295 2.957 0 1 CFAF COc1ccc(-c2nc(CNC[C@@H]3CCCO3)co2)cc1 72102687 UAWQVJMZULUOAR-HNNXBMFYSA-N 288.347 2.619 0 1 CFAF c1ccc2cc(-c3nnnn3-c3ccncc3)ccc2c1 71281157 UBAIOVJSAMIEER-UHFFFAOYSA-N 273.299 2.878 0 1 CFAF Cc1ccc(CNc2nc(N3CCOCC3)ncc2C)cc1 82212820 JYKUMMAHUXDDCC-UHFFFAOYSA-N 298.390 2.542 0 1 CFAF Cc1nc(Nc2ccc3ncccc3c2)c2nc[nH]c2n1 95556507 CUJNYTNSAIPXSV-UHFFFAOYSA-N 276.303 2.953 0 1 CFAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1[C@@H](O)CC2=O 238745936 FDFNTZDUOBCJMD-OSBBLCOHSA-N 286.371 2.788 0 1 CFAF COc1cccc(Oc2ccnc(N3CCOCC3)c2)c1 95580252 AQRKQRWMELRXEW-UHFFFAOYSA-N 286.331 2.719 0 1 CFAF CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=NN1 238731982 HYSSTQLUIMDROE-UHFFFAOYSA-N 284.750 2.903 0 1 CFAF C[S@](=O)c1nc2ccc(Cl)cc2nc1Cl 299856199 IPFYIXLGLKXTTQ-HNNXBMFYSA-N 261.133 2.674 0 1 CFAF COc1cc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2cn1 586898752 NFVYZSHRUOJINT-UHFFFAOYSA-N 281.315 2.752 0 1 CFAF COC(=O)Cc1ccccc1-c1nc2cccc(OC)c2[nH]1 587783304 NDOHZCJYUKWIEP-UHFFFAOYSA-N 296.326 2.954 0 1 CFAF FC1(F)Oc2cc3nc(C4=COCC4)[nH]c3cc2O1 586913229 OPKXNTDEBAMNGE-UHFFFAOYSA-N 266.203 2.646 0 1 CFAF Nc1cccc(-c2nc3cc(F)cc(F)c3[nH]2)c1C(=O)O 587248229 IXMDALGLLSBEIB-UHFFFAOYSA-N 289.241 2.789 0 1 CFAF Cc1ccnc2[nH]c(CC(=O)OCc3ccccc3)nc12 587783137 XUBBEMNXZGTLKR-UHFFFAOYSA-N 281.315 2.552 0 1 CFAF N[C@@H](N=O)c1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1 587967290 MVERRDDNQQYTSV-SAOAKYDJSA-N 268.320 2.966 0 1 CFAF C[C@H](CCc1nc2c(F)cnc(Cl)c2[nH]1)CC(=O)O 587963239 RDVHGEXACFOAAA-ZCFIWIBFSA-N 285.706 2.794 0 1 CFAF COc1cc2nc(-c3ncccc3Cl)[nH]c2cn1 587065340 OKFYQPRJSSVISN-UHFFFAOYSA-N 260.684 2.682 0 1 CFAF C[C@H](F)[C@@H](N)c1nc2c(Cl)cnc(Cl)c2[nH]1 587126797 YXIUQWRPQXXJEZ-WVZVXSGGSA-N 263.103 2.623 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncc(Cl)n1C)O2 587379983 NDYSZJFHGVETRI-NSHDSACASA-N 291.738 2.671 0 1 CFAF Nc1ccc(/C=C/c2nc3ccc(CO)cc3[nH]2)cc1 587251830 PALZAJMERIGUHG-XBXARRHUSA-N 265.316 2.808 0 1 CFAF C[C@@H](O)c1ccc2c(c1)[Si](C)(C)CC[Si]2(C)C 202678343 OXWPCHTWQSCUMJ-LLVKDONJSA-N 264.517 2.584 0 1 CFAF COc1cc(Cl)ncc1[C@@H]1NCCc2ccc(O)cc21 963344099 YKZPVWRYXFMFMW-OAHLLOKOSA-N 290.750 2.684 0 1 CFAF COC(=O)CC=C1c2ccccc2OC[C@H](OC)[C@H]1C 1857622633 APVLMEMJLXYXSR-NHYWBVRUSA-N 276.332 2.677 0 1 CFAF CSc1nc(NCCN(C)C)cc(-c2cccs2)n1 5957898 IUYBTZMHHRRMIF-UHFFFAOYSA-N 294.449 2.901 0 1 CFAF C[C@]12CCC[C@@](C)(CO)[C@@H]1CCc1cc(CO)c(O)cc12 13600406 TVXQELYLFUZAPR-OKZBNKHCSA-N 290.403 2.887 0 1 CFAF CN1C(=O)CN=C(c2cccs2)c2cc(F)ccc21 13803733 JQLSECBWDAKQJE-UHFFFAOYSA-N 274.320 2.701 0 1 CFAF O=c1cc(-c2ccccc2O)oc2c(O)ccc(O)c12 14807369 PNLMQENISKSSNZ-UHFFFAOYSA-N 270.240 2.577 0 1 CFAF Cc1ccc([C@H]2c3c(n[nH]c3C)N=C3COC(=O)[C@H]32)cc1C 1857575561 TYJNOBGMCSRTPQ-LSDHHAIUSA-N 295.342 2.726 0 1 CFAF COc1ccc(OC)c(-n2cnc3c(C)cccc3c2=O)c1 1857605613 QUIGROUMPVJVNN-UHFFFAOYSA-N 296.326 2.711 0 1 CFAF COc1cc2c(cc1C)-c1cc(=O)c(C(=O)O)cn1[C@@H](C)C2 1857771483 GSMYJBGXJUIVBN-JTQLQIEISA-N 299.326 2.648 0 1 CFAF Cc1c(C)c2c(c(C)c1O)[C@@H](C(=O)O)C(C)(C)O2 13651865 UBXXQJONERHQJF-JTQLQIEISA-N 250.294 2.657 0 1 CFAF Cc1oc2ncn3nc(-c4ccncc4)nc3c2c1C 7003393 LBGDXEPNQHCTBS-UHFFFAOYSA-N 265.276 2.549 0 1 CFAF CN(C)c1ccc(-c2ccc3ccn(C(N)=O)c3n2)cc1 103236233 UHPOIQUQVSBNKR-UHFFFAOYSA-N 280.331 2.696 0 1 CFAF c1ccc(COc2ccc3c(c2)-c2nncn2CCO3)cc1 53296616 BGVBFGZFOPYCMN-UHFFFAOYSA-N 293.326 2.917 0 1 CFAF C[C@@H]1NC(c2ccccc2)=Nc2nc3ccccn3c2C1=O 103245058 NTYOKQMJSUBEGO-NSHDSACASA-N 290.326 2.587 0 1 CFAF c1ccc(OCCNC[C@H]2CO[C@H](c3ccccc3)O2)cc1 29316907 SBYUKHBAZJUFBU-ROUUACIJSA-N 299.370 2.769 0 1 CFAF CCCCc1nc(C(=O)OC)nn1-c1ccc(F)cc1 72177960 CNGWRVUFERYLBE-UHFFFAOYSA-N 277.299 2.536 0 1 CFAF N=C(N)n1nc(-c2ccccc2)cc1-c1ccccc1O 84741218 IZEVSBTUVSBCQD-UHFFFAOYSA-N 278.315 2.664 0 1 CFAF CNC(=O)N/C=C/c1c(OC)ccc2ccc(OC)cc12 95596792 UKMAVXXVMKXEGG-CMDGGOBGSA-N 286.331 2.757 0 1 CFAF COc1ccc(Nc2nc3c(O)nc(C)nc3s2)cc1 299854610 AGUPHIPAGLKQAW-UHFFFAOYSA-N 288.332 2.853 0 1 CFAF COc1ccc(/C=C/Cc2nc3ncc[nH]c-3n2)c(OC)c1 587928994 IZOBPVFNLFPDHH-ONEGZZNKSA-N 296.330 2.578 0 1 CFAF Cc1cc2c(O)nc(O)nc2nc1-c1ccccc1F 587368737 WCWRTNHVYMZALD-UHFFFAOYSA-N 271.251 2.551 0 1 CFAF COCc1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 587393608 JIKKLWKVOBOKQC-MRXNPFEDSA-N 298.342 2.825 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCn1ccnc1C)O2 587389316 GUBPIXNWOKRFPJ-KRWDZBQOSA-N 299.374 2.896 0 1 CFAF Nc1cc2nc(COC/C=C/c3ccccc3)[nH]c2cc1N 587781937 ZJDKJBKDMNNHOM-QPJJXVBHSA-N 294.358 2.957 0 1 CFAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)N1CCOCC1 587631354 AAHOGYOTSGCRKP-UHFFFAOYSA-N 296.729 2.741 0 1 CFAF Cc1cc2c(cc1F)[C@](C)(c1c(C)nsc1N)NCC2 962091067 LEAAWOMOXGYPOF-OAHLLOKOSA-N 291.395 2.890 0 1 CFAF CC(=O)NC(=O)N(O)[C@H](C)c1cc2ccccc2s1 11688498 ONAFXCMLXCRAGO-MRVPVSSYSA-N 278.333 2.910 0 1 CFAF Cc1ccc([C@H](C)CC[C@H](O)C(C)(C)O)cc1O 13377557 OBNVTTHRWSUAMB-YGRLFVJLSA-N 252.354 2.716 0 1 CFAF biogenic C[C@H](N)[C@H]1COC(c2ccccc2)(c2ccccc2)O1 13453530 XYZPCDONVNQNOX-XJKSGUPXSA-N 269.344 2.650 0 1 CFAF CCCNC(=O)Oc1ccc2c(c1)[C@H]1CCN(CC)[C@H]1C2 13453940 GFYHFMVUVHAJDW-ZBFHGGJFSA-N 288.391 2.919 0 1 CFAF CCCC(=O)Nc1n[nH]c2nnc(-c3ccccc3)cc12 13489654 SKJDYCVWWBJYSF-UHFFFAOYSA-N 281.319 2.759 0 1 CFAF O=C1C(=O)N(C(=O)OCc2ccccc2)c2ccccc21 13553653 YDHPGKMAVWLLPZ-UHFFFAOYSA-N 281.267 2.553 0 1 CFAF COc1cccc2c(N(C)c3ccccc3)nc(N)nc12 13742284 LQXCCVDBRQCHIC-UHFFFAOYSA-N 280.331 2.989 0 1 CFAF CC/C(=C\c1ccc(OCC(=O)O)c(C)c1C)[N+](=O)[O-] 169340557 SSRMBZBMXIUTRI-KPKJPENVSA-N 279.292 2.794 0 1 CFAF Cc1cc(F)ccc1CCc1ccnc(NC(N)=O)c1 166793879 CXKHFDPOIKOCQS-UHFFFAOYSA-N 273.311 2.805 0 1 CFAF O=C1C[N@]2O[C@]2(c2ccccc2)c2cc(Cl)ccc2N1 1857585512 UXZCEAOLZZBKGQ-QAPCUYQASA-N 286.718 2.740 0 1 CFAF COc1cc(/C=C/C(=O)OCC=C(C)C)ccc1O 1547689 LGFZYQVEWDKGLZ-FNORWQNLSA-N 262.305 2.923 0 1 CFAF CC1=C[C@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@H]2[C@@H](C)CN3C 2356426271 SPLMGOUKRILOLN-SYWGBEHUSA-N 270.376 2.703 0 1 CFAF CCN(C(=O)[C@@]1(c2ccccc2)C[C@@H]1CN)C(C)(C)C 29127560 PNHQUTMNPCBPOX-RHSMWYFYSA-N 274.408 2.550 0 1 CFAF COc1cc(-c2nc3cc[nH]cc-3n2)cc(OC)c1OC 100973079 QJVSRSDYNMKQGA-UHFFFAOYSA-N 285.303 2.602 0 1 CFAF COC(=O)c1sc2cc(-c3cccc(N)c3)cnc2c1N 66259313 AWYWVRWNSVBUII-UHFFFAOYSA-N 299.355 2.914 0 1 CFAF C[C@@H]1CC[C@@H]2[C@H](C=C[C@@H]3CO[C@@](C)(O)C(=O)[C@@]32C)C1 2356629769 PRGXUBLCBUSLOT-FOQYWMHZSA-N 264.365 2.539 0 1 CFAF CC(C)[C@@H]1CC[C@H](C(=O)O)[C@H]2CCC(C(=O)O)=C[C@@H]12 2356691165 ZOKQSCUWIKMMTB-RNJOBUHISA-N 266.337 2.790 0 1 CFAF c1ccc2cc(C3(Cn4ccnc4)OCCO3)ccc2c1 27854948 HUTNUVIPNCHMIU-UHFFFAOYSA-N 280.327 2.936 0 1 CFAF CCOC(=O)C1=CC[C@@H](c2cc3ccccc3[nH]2)NC1 34131732 XUNYHEYETPUVQR-AWEZNQCLSA-N 270.332 2.692 0 3 CFAF CC(C)NC(=O)Nc1ncc(-c2ccccc2)n1C 35562468 VISYUEHKGQCDBZ-UHFFFAOYSA-N 258.325 2.617 0 1 CFAF COc1ccc2cc(-c3ccc(C(N)=O)nc3)oc2c1 49793582 OKFRYJLOLRTNLR-UHFFFAOYSA-N 268.272 2.602 0 1 CFAF N=C(N)c1ccc2cc(Nc3ncccn3)ccc2c1 42921170 RKQGQRRTDLYBGV-UHFFFAOYSA-N 263.304 2.657 0 1 CFAF O=C(O)c1c[nH]c2ccc(-c3cccs3)cc2c1=O 84690459 VLNDQQGGPUDVEY-UHFFFAOYSA-N 271.297 2.955 0 1 CFAF Nc1ccc2ccc(COc3cccnc3)cc2n1 653749398 QJTDCQJZJFACPC-UHFFFAOYSA-N 251.289 2.791 0 1 CFAF Cc1c([C@H](C)CN(C)C)[nH]c2c(C(=O)O)cccc12 587638695 SZFPPSSKVVCGQK-SECBINFHSA-N 260.337 2.840 0 1 CFAF O=C(Cc1cc2c3c(cccc3n1)CC2)Nc1nccs1 587361281 SYQDHGSADBSPAU-UHFFFAOYSA-N 295.367 2.971 0 1 CFAF CC[C@H]1CC[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587447843 WCZXCJWNTZUHBP-DKRRZFASSA-N 286.327 2.571 0 1 CFAF C[C@H](Cc1nc2ccc(C(C)(C)C)nc2[nH]1)N(C)C 587191887 OZPQAMCTJRFYLS-SNVBAGLBSA-N 260.385 2.748 0 1 CFAF N[C@]1(c2nc3ccc(Oc4ccccc4)cc3[nH]2)CCOC1 587248208 IIWCPFACUQCEGC-QGZVFWFLSA-N 295.342 2.930 0 1 CFAF COc1cnc(-c2nc3ncc(C)cc3[nH]2)cc1Cl 587065235 WFWUUOLBBVEICY-UHFFFAOYSA-N 274.711 2.990 0 1 CFAF O=C([C@H]1CCCOC1)n1nc2cc1Oc1ccc(F)cc1-2 587874571 FJNBDJSILWGAAO-VIFPVBQESA-N 288.278 2.862 0 1 CFAF Oc1nc(O)c2cc(C3CC3)c(-c3ccccc3)nc2n1 587560725 DWWKSTXXYWIDJS-UHFFFAOYSA-N 279.299 2.980 0 1 CFAF Fc1ccc2c(c1)-c1cc(n(-c3ncnc4[nH]cnc34)n1)O2 587875804 MZRXMHWPGVRQSM-UHFFFAOYSA-N 294.249 2.450 0 1 CFAF Cc1ccnc2c1CCN[C@@]2(C)c1cc(O)ccc1F 963068689 CJSQREQSIGWFBF-INIZCTEOSA-N 272.323 2.644 0 1 CFAF Cc1ccc(-c2ccnn2-c2cc(C(=O)O)ccn2)cc1O 146591661 FJCLAYNTNLSCOL-UHFFFAOYSA-N 295.298 2.647 0 1 CFAF COc1cccc(-c2nc(C(=O)n3nc(C)cc3C)co2)c1 1772612249 WXWBXUZHCCHJCI-UHFFFAOYSA-N 297.314 2.852 0 1 CFAF CCOC(=O)[C@H]1[C@H]2C=C[C@H](CC2)N1c1ccccc1 15952374 NLRFKXAWPLOXQO-NWANDNLSSA-N 257.333 2.773 0 1 CFAF c1cc2c(cc1CN[C@@H]1[C@H]3[C@H]4C[C@@H]5[C@@H]6C[C@H]([C@H]15)[C@@H]3[C@@H]46)OCO2 169299923 VGYQUDBPYFLBLJ-KISRYNCJSA-N 295.382 2.651 0 1 CFAF c1ccc2c(c1)CCc1ccccc1N2C1CNC1 169333199 GNHSEIBLPBZNPH-UHFFFAOYSA-N 250.345 2.895 0 1 CFAF C[C@@H]1C(=O)S[C@@](C)(Cc2ccc(F)cc2)C1=O 169719253 SRLDZLRFVVSJBE-SDBXPKJASA-N 252.310 2.606 0 1 CFAF CC(=O)O[C@H]1[C@H]2CCC[C@@H]1[C@H](N1CCCCC1)CC2 4024121 KSJDJOYKEJTGAN-JJXSEGSLSA-N 265.397 2.983 0 1 CFAF CCCc1nc2nc(C)cc(NCc3ccccc3)n2n1 4928924 LJUGESCOMJRBTD-UHFFFAOYSA-N 281.363 2.997 0 1 CFAF O=C1Nc2ccccc2/C1=C/Nc1ccc2c(c1)OCCO2 100457224 ITVBTDSNLYJRJU-RAXLEYEMSA-N 294.310 2.863 0 3 CFAF O=C1[C@H]2CCCN2[C@H](c2cccs2)N1c1ccccn1 57011118 KBAFYBYYCFHCON-RISCZKNCSA-N 285.372 2.653 0 3 CFAF CC[C@@H](C)C(=O)C(=O)N[C@H](C)Cc1c[nH]c2ccccc12 26179777 WKNHEWXETZJFSW-VXGBXAGGSA-N 286.375 2.830 0 1 CFAF Oc1ccc(C2=c3ccc4n3[C@@H]3C(=CC=4)CCCC[C@@H]23)cc1 26472290 XSLAYQRDXPIQLV-FXAWDEMLSA-N 289.378 2.858 0 1 CFAF CN1CCCN=C1NCCSc1c[nH]c2ccccc12 26399950 YLQZFGULHRSPAK-UHFFFAOYSA-N 288.420 2.541 0 1 CFAF CN(Cc1cccc(F)c1)[C@@H]1[C@H]2[C@@H]3[C@@H]4[C@H]5C[C@@H]3[C@@H]1[C@H]5C(=O)[C@@H]24 299845627 MSTPNDDVMWUDFF-LSMSOGFUSA-N 297.373 2.583 0 1 CFAF OCCc1ccc2nc(CCOCc3ccccc3)[nH]c2c1 587566407 LKXUWPVXLJWHDB-UHFFFAOYSA-N 296.370 2.857 0 1 CFAF COc1cc2[nH]c(C(=O)CCc3ccccc3)nc2cn1 587954246 KYXIJIINBMZSRO-UHFFFAOYSA-N 281.315 2.782 0 1 CFAF CC(C)[C@@H](c1nc2cccc(C(=O)O)c2[nH]1)N(C)C 587199161 XTMMNRHNYDMECT-LBPRGKRZSA-N 261.325 2.520 0 1 CFAF Cc1ccc2c(ccc3nc([C@H](O)C4CCOCC4)[nH]c32)n1 586915898 JCVNSKPZSWVQBG-MRXNPFEDSA-N 297.358 2.880 0 1 CFAF C[C@@H](Sc1ncccn1)c1nc2ccc(CO)cc2[nH]1 586962830 BAAHVMOSHQPOJH-SECBINFHSA-N 286.360 2.699 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1ccccn1)O2 587393715 KNPDLHOXLZLQGA-KRWDZBQOSA-N 282.343 2.939 0 1 CFAF N=C(c1ccncn1)n1nc2cc1Oc1ccc(F)cc1-2 587874058 SNXZYFDPFXCTOV-UHFFFAOYSA-N 281.250 2.459 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CC[C@@H]1CCOC1)O2 587413082 PQKAEAPSKXQZPV-NEPJUHHUSA-N 275.348 2.728 0 1 CFAF CN1CCC[C@H]1CCn1ncc2ccc(Cl)cc2c1=O 587655001 RITLWAMCRHMCCA-ZDUSSCGKSA-N 291.782 2.534 0 1 CFAF COc1cc(CCC(=O)O)c2c(c1OC)C=CC(C)(C)O2 685935294 UHPCEPHAFXEIQV-UHFFFAOYSA-N 292.331 2.905 0 1 CFAF biogenic,in-vitro CCOC(=O)[C@H]1CN(CC)CC=C1c1ccccc1 13782789 YEISNHZYJIVAST-HNNXBMFYSA-N 259.349 2.585 0 1 CFAF CC[C@@H](C)Nc1cc(NC(=O)c2ccccc2)ncn1 169303755 JWYHOJDQIHIIKH-LLVKDONJSA-N 270.336 2.939 0 1 CFAF Cc1c(C)c(O)c(CC[C@](C)(O)CCC(=O)O)c(C)c1O 169636667 SAEVUBOEVWFRFU-INIZCTEOSA-N 296.363 2.571 0 1 CFAF CC1(C)C=C(n2ccccc2=O)c2cc(O)ccc2O1 9923 MHBLXGBYCVLIKB-UHFFFAOYSA-N 269.300 2.614 0 1 CFAF COC(=O)N1CCC2(CCN(CC(C)C)CC2)CC1 3956018 KDBJBMMULIODMN-UHFFFAOYSA-N 268.401 2.587 0 1 CFAF Cc1cc2c(cc1C)N(C)C(=O)c1cc(N)cnc1O2 6522178 LXEMJVJWZKCMJJ-UHFFFAOYSA-N 269.304 2.663 0 1 CFAF Cc1ccnc(N2[C@@H]3CC[C@@H]2CC(O)(c2ccccc2)C3)n1 101591129 VJQMHZNBFRZRLV-HZPDHXFCSA-N 295.386 2.804 0 1 CFAF O=C1C[C@]23C=CCN4CC[C@H]5c6ccccc6N1[C@]42[C@H]5CC3 2356395484 QIGPQWKGPHTVIF-JOQQVMPUSA-N 292.382 2.889 0 1 CFAF Cc1coc2c1[C@@H](O)[C@@]1(C)[C@H](C)[C@@H](O)CC[C@@H]1C2 100823479 JWKRZHJQYDUUNQ-ZNLHFFCSSA-N 250.338 2.591 0 1 CFAF endogenous,in-man N=C(N)Nc1c(C2CCCCC2)[nH]c2ncccc12 28713376 SHDDXUIPHAZLFS-UHFFFAOYSA-N 257.341 2.916 0 1 CFAF O=C1NC(=O)[C@@H](c2ccccc2OCc2ccccc2)O1 27870324 HPKGRYJVZDVIGV-CQSZACIVSA-N 283.283 2.573 0 1 CFAF COc1ccc(C=Cc2cccc(=O)o2)cc1OC 2356493784 GYNVRGRZFIAZGF-UHFFFAOYSA-N 258.273 2.827 0 1 CFAF CC1=C[C@@H]2[C@H](CC1)C(C(=O)O)=C[C@H](O)[C@H]2C(C)C 2356543850 ZLYNIGWZDMTJTK-XCCSTKFXSA-N 250.338 2.617 0 1 CFAF C=CC(C)=C[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1 2356794487 HXVGNHDNCOEZLJ-LBPRGKRZSA-N 277.364 2.547 0 1 CFAF CC=C(C)C=CC(=O)N[C@@H](C(=O)O)[C@H](C)c1ccccc1 2356803463 XCRLERGVAUJBQZ-CZUORRHYSA-N 287.359 2.882 0 1 CFAF COc1ccc2c(c1)c(C1(CNC(C)=O)CCC1)cn2C 35940993 HCYZUOYUELCLHP-UHFFFAOYSA-N 286.375 2.745 0 1 CFAF COC[C@@H](C)Nc1cc(-c2ccc(F)cc2)ncn1 82161386 DGFZLBLUWOULFU-SNVBAGLBSA-N 261.300 2.730 0 1 CFAF COC(=O)[C@H]1CCCc2c1nc1cccc3c1c2CC3 587214848 VNVIYLGEGXMGIG-ZDUSSCGKSA-N 267.328 2.926 0 1 CFAF CC[C@H]1OCCC[C@H]1c1nc2c(Cl)ncnc2[nH]1 586912403 OMKPPHGEBOBCDI-HTQZYQBOSA-N 266.732 2.679 0 1 CFAF COC(=O)c1cc2[nH]c(C(C)(C)Cl)nc2cc1OC 587007336 CIBFGVNYIRJLSU-UHFFFAOYSA-N 282.727 2.832 0 1 CFAF COc1ccc(C=O)c(-c2nc3nccc(C)c3[nH]2)c1OC 587793024 JDQVPRGJLIKZOS-UHFFFAOYSA-N 297.314 2.763 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](c1nccn1C)CC2=O 587470569 LKCLPYXMBCPLOH-AWEZNQCLSA-N 286.331 2.785 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(O)c1N)O2 587389900 MWLNUBOOALHGSQ-KRWDZBQOSA-N 298.342 2.746 0 1 CFAF OCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586894514 JMOKTFKYCPIDGO-UHFFFAOYSA-N 280.633 2.650 0 1 CFAF CN(C)C(=O)C[C@@H]1CCc2c1nc1cccc3c1c2CC3 587212621 KCYGCVLWVIZHFJ-LBPRGKRZSA-N 280.371 2.842 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)CCC[C@H]3c1ccccc1 587560854 ARGSYOQXPZOHGV-NSHDSACASA-N 293.326 2.904 0 1 CFAF CCCCN1CCN(c2ccccc2OCCF)CC1 1857539951 MPRKJVQRTVEJJH-UHFFFAOYSA-N 280.387 2.957 0 1 CFAF CCc1ccc2[nH]cc(C(=O)OC(C)C)c(=O)c2c1 13685755 XGNSUAGLUGPMKD-UHFFFAOYSA-N 259.305 2.656 0 1 CFAF in-vivo CCCN1C(=O)c2[nH]c3ccccc3c2CN2CC[C@H]1C2 1857586723 QRLLKQFTPNGXPP-LBPRGKRZSA-N 283.375 2.608 0 1 CFAF O=C(Cn1cccc1)N[C@H]1CCCc2ccccc21 4104171 IJZSERPYFFEIBD-HNNXBMFYSA-N 254.333 2.682 0 3 CFAF O[C@@H]1c2[nH]c3ccccc3c2CCN2CCCC[C@H]12 6004838 LOTZCVIDSNBKKE-ZBFHGGJFSA-N 256.349 2.612 0 1 CFAF CC1=CC(=O)N[P@](=O)(C23CC4CC(CC(C4)C2)C3)N1 6591423 WTXODEBLBZCEAI-BMUNRZPTSA-N 280.308 2.772 0 1 CFAF Cc1cccc(NC(=O)c2c(C)cccc2C(=O)O)n1 103233765 MUUAPDNSQIBYPT-UHFFFAOYSA-N 270.288 2.649 0 1 CFAF C[C@H]1[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@@]2(CCN3C)CC(=O)[C@@H]1C 100787938 UXGGGGCNEATCRR-SFEMKMTISA-N 299.414 2.751 0 1 CFAF C[C@@H]1CC[C@H]2[C@@]3(O)[C@H]1CC[C@@]3(C)C[C@@]2(C)C(=O)O 2356575270 HJIXPIWBGQEXMJ-VEPBNUNMSA-N 252.354 2.675 0 1 CFAF COc1ccc([C@H]2CC(c3ccccc3)=NN2C(N)=O)cc1 69058539 WCVHAZPMDTXWOY-MRXNPFEDSA-N 295.342 2.925 0 1 CFAF CC=C(C)C=CC(=O)N[C@H](C(=O)O)[C@@H](C)c1ccccc1 2356803461 XCRLERGVAUJBQZ-BBRMVZONSA-N 287.359 2.882 0 1 CFAF CCCN(CCCSC)[C@@H]1CCc2n[nH]cc2C1 26468270 KMCVLDJICNZCPD-CYBMUJFWSA-N 267.442 2.732 0 1 CFAF Fc1ccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)cc1 210727037 TZWUTAYHWCWNFP-UHFFFAOYSA-N 298.321 2.601 0 1 CFAF COC(=O)c1coc(/C=C/c2ccc(OC)cc2)n1 1911584296 CZVZWHRCXHCVSJ-VMPITWQZSA-N 259.261 2.640 0 1 CFAF c1ccc(CNc2ncnc3c2ncn3[C@@H]2CCCO2)cc1 40915729 GQJJUHLVVFRHEB-ZDUSSCGKSA-N 295.346 2.747 0 1 CFAF CC1=NN2C(=O)COc3ccc(C(F)(F)F)cc3[C@@H]2C1 95585329 CPOLUOFGIGGXAO-JTQLQIEISA-N 284.237 2.747 0 1 CFAF CC(=O)OC/C(C)=C/Cc1cc(/C=C/C(=O)O)ccc1O 238756889 AZVYEXRHJNYEAV-GQHUZBHDSA-N 290.315 2.542 0 1 CFAF FC(F)C[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1 95564740 FDYKMNCWHGRGGQ-CDMKHQONSA-N 268.307 2.581 0 1 CFAF CCO/C(O)=C1/C(C)=NC(=S)N[C@@H]1[C@@H]1CC=CCC1 617960017 IBDYNWKVOOUVRA-OEJLOUNASA-N 280.393 2.866 0 1 CFAF COc1cc([C@H](C)N2CCCC2)ccc1OC(=O)N(C)C 299834565 ZAKCDAWJOGMECL-LBPRGKRZSA-N 292.379 2.912 0 1 CFAF COc1ccc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)cn1 473135244 MTXSKMIYEOQGMK-BZUAXINKSA-N 281.359 2.760 0 1 CFAF Cc1cc2[nH]c(Cc3cc(N)ccc3F)nc2c(C)n1 587140433 AMVVRWIFGJUSBK-UHFFFAOYSA-N 270.311 2.887 0 1 CFAF N[C@@H](c1ccsc1)c1nc2ccnc(Cl)c2[nH]1 587026067 UHAIKKGXHZQMBD-QMMMGPOBSA-N 264.741 2.721 0 1 CFAF COC(=O)Nc1ccc(-c2nc3cncc(C)c3[nH]2)cn1 587245854 ZVHQMFHLMIWHMF-UHFFFAOYSA-N 283.291 2.507 0 1 CFAF CC[C@@H](Oc1ccccc1F)c1nc2c(N)ncnc2[nH]1 587155886 OBFARKSRUKRCCP-SECBINFHSA-N 287.298 2.604 0 1 CFAF O[C@H]1C[C@@H](c2nc3c(Cl)ncnc3[nH]2)c2ccccc21 586901339 GZKWHNVBUJSWGL-ZJUUUORDSA-N 286.722 2.575 0 1 CFAF CC(C)[C@@](C)(O)c1nc2cc3c(cc2[nH]1)OCCCO3 586893522 ZWGSPXVZGJDWLS-OAHLLOKOSA-N 276.336 2.588 0 1 CFAF COC(=O)Nc1ccc(-c2nc3ccc(OC)cc3[nH]2)cn1 587245788 XUMPLCMBXMIXOL-UHFFFAOYSA-N 298.302 2.812 0 1 CFAF CO[C@@H]1[C@H](C)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1(C)C 587403651 PHHIFBORKYVHMB-UDTVLSCZSA-N 289.375 2.972 0 1 CFAF C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnn[nH]1 95134721 XZYQVYXSBYLINV-RXMQYKEDSA-N 259.096 2.647 0 1 CFAF Cn1c(-c2ccccc2)nc2c(NC3CCC3)ncnc21 136386209 ZMSLVSDECFRUFH-UHFFFAOYSA-N 279.347 2.995 0 1 CFAF CCN(Cc1cc[nH]c1)C(=O)COc1ccc(C)cc1 1772632224 WAYKZXUKVITVEM-UHFFFAOYSA-N 272.348 2.751 0 1 CFAF CC1=C(C(=O)NCCC(C)C)C2(CCC(C)CC2)OC1=O 5058750 VBZNNHBVNYMWFR-UHFFFAOYSA-N 293.407 2.971 0 1 CFAF C[C@@H]1CN(C(=N)S)N=C1c1cccc(Br)c1 13474224 TUTYQOJCTUPRCE-SSDOTTSWSA-N 298.209 2.969 0 1 CFAF O=c1[nH]nc2c3c([nH]c4c(Cl)ccc1c24)CCCC3 150097913 YCKIESTUCCJJFO-UHFFFAOYSA-N 273.723 2.937 0 1 CFAF Cc1nc([C@@H](C)n2cc3[nH]cccc-3c2=O)cs1 1857619629 LKNAGXVZYGKBDL-MRVPVSSYSA-N 259.334 2.655 0 1 CFAF COc1ccc2ccc3c(c2c1)[C@@H](CNC(N)=S)CC3 1857768973 HWMXBPNNULQCOI-GFCCVEGCSA-N 286.400 2.711 0 1 CFAF CC1=C[C@@H]2O[C@H](C[C@]3(C)C[C@H](O)C(=O)O3)C[C@H](C)[C@@H]2CC1 2356323344 BTUXDAQOACITBL-YGYYXPQVSA-N 294.391 2.593 0 1 CFAF CCOc1cccc2c1O[C@]1(C)C[C@H]2/C(=C(\C)O)C(=O)N1 6790933 RKRHDCUVGVUMHM-FPODFMBDSA-N 289.331 2.629 0 1 CFAF CCCCn1cccc(C(=O)NC2CCC(C)CC2)c1=O 103263588 BTRLEVJMKJXOEY-UHFFFAOYSA-N 290.407 2.957 0 1 CFAF C[C@H]1C[C@@H](C)[C@](O)(COC(=O)c2cccs2)O[C@@H]1C 27703883 RCHXDWXPWFUWAY-OXIWPEFWSA-N 284.377 2.675 0 1 CFAF COc1cc(N[C@H](C)CCCN)c2ncccc2c1F 26397094 KKZJVMGNAQRTHJ-SNVBAGLBSA-N 277.343 2.922 0 1 CFAF Oc1ccc2ncn(-c3cccc(F)c3Cl)c2n1 118270139 GPHMVRZLCWKJQL-UHFFFAOYSA-N 263.659 2.919 0 1 CFAF COc1ccc(Cl)c(-c2cc(C(=O)NC(C)C)[nH]n2)c1 61927496 STBLPZILAQZIGM-UHFFFAOYSA-N 293.754 2.877 0 3 CFAF O=c1cc(-c2ccc(O)cc2)oc2c(O)ccc(O)c12 221043910 TUAPRGJSYIVNMR-UHFFFAOYSA-N 270.240 2.577 0 1 CFAF CCC(CC)Nc1nc(N2CCN(CC)CC2)ncc1C 82201788 LFIWXLBCPAKWBX-UHFFFAOYSA-N 291.443 2.527 0 1 CFAF O=S1(=O)C=Cc2ccc(OCc3ccccc3)cc2O1 96914361 IRITYKXXNUMCHB-UHFFFAOYSA-N 288.324 2.959 0 1 CFAF c1cncc(-c2cncc([C@H]3C[C@H]4CC[C@H]3N4)c2)c1 473135011 KPVBKZCVLOWIBI-BZUAXINKSA-N 251.333 2.752 0 1 CFAF Nc1c(F)cc(-c2nc3ccc(CCO)cc3[nH]2)cc1F 587135248 WXXTXZMGQOAJDA-UHFFFAOYSA-N 289.285 2.625 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(CCC[C@@H](OC)C1)[C@@H](C2)C3=O 587444634 WQAXQGFYGPFECH-BTJLNZGRSA-N 288.343 2.770 0 1 CFAF COC(=O)C(=O)c1c(-c2ccncc2)[nH]c2cccc(F)c12 587637245 YLWBGYQHIPMIAL-UHFFFAOYSA-N 298.273 2.725 0 1 CFAF O=C(COc1ccc(F)cc1)COc1ccc(F)cc1 169334101 JXGLQFAJQCPSEX-UHFFFAOYSA-N 278.254 2.992 0 1 CFAF CC1(C)NC(=O)c2cc(-c3ccncc3)sc2N1 114223741 KLLYFMFRMYWJND-UHFFFAOYSA-N 259.334 2.702 0 1 CFAF CCO[C@H]1OC(=O)C2=C1[C@@H](O)C[C@H]1C(C)(C)CCC[C@]21C 13485678 WWHZNPIYQAOPQX-BFMBFUHESA-N 294.391 2.800 0 1 CFAF O=C(O)CCc1c(CO)[nH]c2cc(Cl)cc(Cl)c12 13490383 MEKPSAMPTYQJTA-UHFFFAOYSA-N 288.130 2.984 0 1 CFAF O=c1oc2ccccc2c2nc(-c3cccs3)nn12 13741675 BLAVUGVUNYLAEA-UHFFFAOYSA-N 269.285 2.564 0 1 CFAF CC[C@@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N1C(C)C 427225 OCTFNPKHWGFJBB-BXUZGUMPSA-N 274.364 2.507 0 1 CFAF CO[C@@]1(Cc2ccccc2)C(=O)c2ccccc2N1C(C)=O 1616573 UBZWPPHDOLCQSU-SFHVURJKSA-N 295.338 2.821 0 1 CFAF COC(=O)[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccccc1 100912910 XTYJQBUILMRWGE-FBQXIEBNSA-N 283.371 2.726 0 1 CFAF C[C@@]12CC[C@@H]3[C@@H](CC[C@@H]4NC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 26394941 SXIPXKUAHBNRLJ-ITKISWDFSA-N 291.435 2.869 0 1 CFAF Cc1cccc(-n2cccc2CN2CCN(C)CC2)c1C 28123604 PBHAZPZATGNUKA-UHFFFAOYSA-N 283.419 2.842 0 1 CFAF CCCN1CCO[C@H]2c3cc4c(cc3CC[C@H]21)CCO4 28011109 MLSIVBGRMUBBOL-WBVHZDCISA-N 273.376 2.720 0 1 CFAF O[C@@]1(c2ccccc2)CCN(CCCc2ccncc2)C1 20201696 RVPWGDHRUQKTIF-SFHVURJKSA-N 282.387 2.608 0 1 CFAF CN1C(=O)c2ccccc2N2Cc3ccccc3[C@H]12 2356872768 YCYQLPYJBJCYFC-OAHLLOKOSA-N 250.301 2.791 0 1 CFAF Cc1[nH]n(Cc2ccccn2)c(=O)c1-c1ccccc1 73240083 GNYOXQVNUGITDG-UHFFFAOYSA-N 265.316 2.595 0 1 CFAF COc1ccc(-c2nnc3ccc(-n4cccc4)nn23)cc1 82060486 RKRAQOWCGXQKNJ-UHFFFAOYSA-N 291.314 2.591 0 1 CFAF O=C1O[C@H](c2ccccc2)C(c2ccc(O)cc2)=C1O 40421291 BTYLGKKUPWHTRD-OAHLLOKOSA-N 268.268 2.959 0 1 CFAF O=Cc1ccc(Cn2cc(-c3ccccc3)nn2)cc1 2178317146 MFRNIFJHZVDERH-UHFFFAOYSA-N 263.300 2.806 0 1 CFAF CNc1ncccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587387700 SBZQLSVUCBRPIB-AWEZNQCLSA-N 283.331 2.720 0 1 CFAF COc1cc2nc(C(F)(F)c3ccccn3)[nH]c2cn1 587089357 BNRZVUVBXMMYOC-UHFFFAOYSA-N 276.246 2.502 0 1 CFAF Cc1ccc(C)c(Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1 587959669 RSIAXXYJTFFJBR-UHFFFAOYSA-N 287.754 2.578 0 1 CFAF Fc1ncc(Br)cc1-c1nc2cccnc2[nH]1 587178050 NKJKKAZDJXOLAX-UHFFFAOYSA-N 293.099 2.922 0 1 CFAF CC(=O)Nc1cc(-c2ccccc2)cn2c(C)nnc12 1857586644 POFKNPRGAOABMZ-UHFFFAOYSA-N 266.304 2.663 0 1 CFAF Cc1ccc([C@]2(C)CC[C@@H](C(C)(C)O)O2)cc1O 1857772667 ISLVTUNHTWXYHS-ZFWWWQNUSA-N 250.338 2.866 0 1 CFAF CC1=CC[C@@H]2[C@@H](O[C@@H](c3ccc(F)cc3)C[C@@]2(C)O)[C@@H]1O 1772626563 MUKPLLCMUIHJQJ-WRQOLXDDSA-N 292.350 2.734 0 1 CFAF COc1ccc(-c2c[nH]nc2-c2c(O)cc(O)cc2O)cc1 1857642131 JYKASWXKXFZWHW-UHFFFAOYSA-N 298.298 2.869 0 1 CFAF COC(=O)C[C@H]1[C@@H](Cc2ccccc2)C[C@@H]2CC[C@H]1N2C 3959784 ANHMPRQCQIOCSZ-LUKYLMHMSA-N 287.403 2.891 0 1 CFAF Clc1ccc(OC[C@H]2NC3CCC2CC3)cn1 6040315 ATEUAWKVNGEVRY-RTYFJBAXSA-N 252.745 2.644 0 1 CFAF O=C1CCSc2c1cccc2C(=O)NCc1ccccn1 6781955 QUSIWFHLLRWXMO-UHFFFAOYSA-N 298.367 2.690 0 1 CFAF Cc1[nH]n(-c2ccccc2)c(=O)c1C(=O)c1cccc(F)c1 103921628 DDSLGEDOTIWVKB-UHFFFAOYSA-N 296.301 2.844 0 3 CFAF COc1nccc2[nH]nc(-c3ccnc(N4CCCC4)c3)c12 114748274 ODMWSXDOBHECMQ-UHFFFAOYSA-N 295.346 2.629 0 1 CFAF CC1(C)CC(=O)c2cc3c(cc2O1)C[C@H](C(C)(C)O)O3 40880667 CGEURPDLOCVPML-CQSZACIVSA-N 276.332 2.505 0 1 CFAF COc1ccccc1-c1nnc2ccc(-n3cccc3)nn12 82060496 XAQMRMKRHCSCQO-UHFFFAOYSA-N 291.314 2.591 0 1 CFAF CCc1ccc(NC(=O)NC(=O)c2ccccc2O)cc1 84670010 KVSUAUJOEOLSOZ-UHFFFAOYSA-N 284.315 2.917 0 1 CFAF NC(=O)c1ccc(N[C@@H]2CC[C@H](c3ccccc3)C2)nc1 367517028 JBSAILAEEJVXKB-DZGCQCFKSA-N 281.359 2.929 0 1 CFAF in-vitro Clc1ccc(CN2CC[C@H](NCC3CC3)C2)cc1 621431335 KEJLWBOKQZWSGT-HNNXBMFYSA-N 264.800 2.914 0 1 CFAF N=c1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c[nH]1 587950133 JYENIZLYPTWIKN-UHFFFAOYSA-N 298.390 2.856 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccnn1CC1CC1)O2 587390002 FCVQFTJEYAKPAI-INIZCTEOSA-N 297.358 2.890 0 1 CFAF C[C@H](c1nc2ccc(CO)cc2[nH]1)n1cc(Cl)cn1 587082773 VTFFQKPFHDEFKJ-MRVPVSSYSA-N 276.727 2.514 0 1 CFAF Cc1nc(C)c(Cc2nc3cncc(C)c3[nH]2)s1 587012895 UNWVBOZJSBVXQU-UHFFFAOYSA-N 258.350 2.930 0 1 CFAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(C1CC1)[C@@H](C2)C3=O 587430303 TZFDZNAJDKTIFU-PUPYBWJYSA-N 299.370 2.667 0 1 CFAF COc1ccc2nc(-c3ccc(Cl)nc3F)[nH]c2n1 587178236 WNZQVZJEFIPRSJ-UHFFFAOYSA-N 278.674 2.821 0 1 CFAF O[C@]1(c2ccccc2Cl)c2ccccc2C2=NCCN21 13760547 INCRYDPIDJWFEF-INIZCTEOSA-N 284.746 2.609 0 1 CFAF CN(C)CCS[C@@H](N=O)C(=O)c1ccc(Cl)cc1 169713396 HVZLJKCXGULFGO-GFCCVEGCSA-N 286.784 2.910 0 1 CFAF CN1CCN(c2ccc(-c3cccnc3)cc2)CC1 204330688 YZYDWURWHLXDLO-UHFFFAOYSA-N 253.349 2.500 0 1 CFAF O[C@@]1(c2ccc(-c3ccncc3)cc2)CN2CCC1CC2 3800495 PLLNWUDDSQLENO-GOSISDBHSA-N 280.371 2.662 0 1 CFAF CC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 53224526 LYDZRRKPDGFEON-JSGCOSHPSA-N 269.772 2.662 0 1 CFAF CC[C@H]1CCC2=C[C@@H]3C(C(F)(F)F)=CC(=O)N[C@@H]3C=C2N1 101113942 CBBKASYECJYSCB-OPQQBVKSSA-N 298.308 2.576 0 1 CFAF O=C1CS/C(=C/c2nc3cc4ccccc4cc3[nH]2)N1 103234214 DEVGEEPOKSBGJT-VIZOYTHASA-N 281.340 2.878 0 1 CFAF COc1cccc2c1nc(N)c1ncn(CC(C)C)c12 28476230 IDKVEZQDSPBTIC-UHFFFAOYSA-N 270.336 2.831 0 1 CFAF NNc1ccc(-n2c3ccccc3c3ccccc32)nn1 27713582 WTTBGOTTZYIKIQ-UHFFFAOYSA-N 275.315 2.859 0 1 CFAF Cc1[nH]cnc1Cn1cccc(-c2cccc(F)c2)c1=O 26977164 CIWQCFIEYSKQRX-UHFFFAOYSA-N 283.306 2.734 0 1 CFAF C[C@]1(O)CCC[C@]2(C)Cc3c(O)ccc(O)c3C[C@@H]12 29042012 SIHKZQDGUPOURP-OAGGEKHMSA-N 262.349 2.754 0 1 CFAF CO[C@H]1c2nccc3c4ccccc4n(c23)C(=O)[C@@H]1OC 2356618814 JWCNEMSVILJYCU-LSDHHAIUSA-N 282.299 2.546 0 1 CFAF CC1=C[C@H]2C[C@H](C)[C@@]1(C)CCC1=CC(=O)N(CC(=O)O)[C@@H]12 2356806950 WBAMQNTZPRODKY-SCTFDZSOSA-N 289.375 2.611 0 1 CFAF CCOC(=O)[C@]1(C)CCCN1C(=O)c1sccc1C 61898872 VTRYNCHUWODVJR-AWEZNQCLSA-N 281.377 2.614 0 3 CFAF CNc1nc2oc(-c3ccccc3)nc2c2c1ncn2C 38314650 SOFBJAGASYHSSD-UHFFFAOYSA-N 279.303 2.818 0 1 CFAF CN1CCC[C@H]1[C@H]1COc2ccc(Br)cc2O1 73158197 VTNSNZFZETVJGZ-GXFFZTMASA-N 298.180 2.683 0 1 CFAF CCCCC[C@@H](C)NC[C@H](O)c1cc(O)cc(O)c1 137141953 DFGXCGQPCWUBML-ABAIWWIYSA-N 267.369 2.690 0 1 CFAF CCCc1ncc2c(C)nc3ccc(OC)nc3n12 49049222 TVANSZJGSTWTLC-UHFFFAOYSA-N 256.309 2.547 0 1 CFAF O=C(O)[C@@H]1CCCN(c2ccnc3c(F)cccc23)C1 40351302 HCTQVAHORXKJIB-SNVBAGLBSA-N 274.295 2.675 0 1 CFAF CC1=N[C@@](C)(c2cccc(-c3cccnc3)c2)N=C1N 95575019 GGFQOAKBKNUHNP-MRXNPFEDSA-N 264.332 2.753 0 1 CFAF Cn1ncc2cc(C(=O)Nc3nnc(C4CC4)s3)ccc21 653851652 NLBFOTBSUFNAJN-UHFFFAOYSA-N 299.359 2.555 0 1 CFAF COc1cc2c3c(c1)O[C@@H]([C@H]1CCCSC1)[C@@H](C2)C3=O 587454582 YWYIZRZTDOPVKB-HCYDYPBKSA-N 290.384 2.954 0 1 CFAF NC1CCC(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CC1 587256552 KQZVDQQPBCYOBG-UHFFFAOYSA-N 299.353 2.873 0 1 CFAF Cc1ccnc2[nH]c([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc12 586886926 QYDWKXUNHZMGSZ-GRYCIOLGSA-N 267.332 2.905 0 1 CFAF NCCOCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587245815 YPKOTXOWDZQWEA-UHFFFAOYSA-N 293.676 2.710 0 1 CFAF CN(Cc1cc(=O)c(O)co1)c1ccc(Cl)cc1 1857591332 UIUZLQGYADBHEF-UHFFFAOYSA-N 265.696 2.635 0 1 CFAF O=C1N[C@@H](c2c[nH]nc2-c2ccccc2)Nc2sccc21 1857745608 PYAMESVICNFXKS-CYBMUJFWSA-N 296.355 2.992 0 1 CFAF COc1cc2ncn(-c3ccccc3)c2cc1CO 3832252 LGRRHBCWSVNDAX-UHFFFAOYSA-N 254.289 2.526 0 1 CFAF COc1ccc(OCCc2ccccc2)cc1CCN 13864194 XZYBODNZTGTBIN-UHFFFAOYSA-N 271.360 2.818 0 1 CFAF COP(=O)(OC)O[C@H](C(C)C)P(=O)(OC)OC 29221797 FUYVMUJUBJZLSW-QMMMGPOBSA-N 290.189 2.872 0 1 CFAF COc1cc(N2C(=O)c3ccccc3C2=O)ccc1N(C)C 29038386 USDJTCRNOLDMII-UHFFFAOYSA-N 296.326 2.562 0 1 CFAF CCCOC(=O)[C@@H]1Cc2c(sc3ccccc23)CN1 26838338 XCMXDOUVSOWXRC-LBPRGKRZSA-N 275.373 2.869 0 1 CFAF CCc1ccc(-c2ccc(NC(=O)[C@@](C)(N)CO)cc2)cc1 35994962 VSXBWZBGAYKBLQ-SFHVURJKSA-N 298.386 2.564 0 1 CFAF CN[C@H](Cc1ccc2c(c1)OCO2)c1ccccc1 139088730 DNOTUUOUOFJQJC-CQSZACIVSA-N 255.317 2.919 0 1 CFAF CCC[C@@H]1N[C@H](C(=O)OC)Cc2c1[nH]c1ccccc21 135902515 OTLPIVLPOZNBIP-KBPBESRZSA-N 272.348 2.696 0 1 CFAF COc1cc(O)c(C(C)=O)c(O)c1CC=C(C)C 138969652 WELTVQLQYUWYIT-UHFFFAOYSA-N 250.294 2.818 0 1 CFAF COc1ccc([C@H]2NC(=O)c3c(C)cc(C)nc3N2)cc1 40454998 OUJAFULLCYQRDY-CQSZACIVSA-N 283.331 2.561 0 1 CFAF CCN1CCN[C@@H]2c3c(C)c4ccccc4n3CC[C@H]21 253793113 VQBGLWJDSULYBU-CVEARBPZSA-N 269.392 2.688 0 1 CFAF CO[C@@]12C=C[C@@H](CC1)[C@H]1C(=O)c3c(C)c(C)n(C)c3C(=O)[C@H]12 254224073 NDTURTFDFKXIBS-KTMFAHBVSA-N 299.370 2.618 0 1 CFAF CN1CCc2cc(O)c(N)cc2[C@@H](c2ccccc2)C1 299825536 CRJSRJODHRMHOZ-OAHLLOKOSA-N 268.360 2.594 0 1 CFAF Cc1cnc2[nH]c([C@H](C)Sc3ncccn3)nc2c1 586963012 DHIFFOLNPLMMHE-VIFPVBQESA-N 271.349 2.910 0 1 CFAF N[C@H]1CC[C@@H]1c1nc2cccc(OC(F)(F)F)c2[nH]1 587247011 SCVIPTDMHYAPHR-BQBZGAKWSA-N 271.242 2.666 0 1 CFAF Cc1cccc(NC(=O)Cc2nc3cccnc3[nH]2)c1C 587239205 LSNQUJSXTFTURR-UHFFFAOYSA-N 280.331 2.756 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCn3cccc31)O2 587393901 OAMUNMFUGLYKOW-MRXNPFEDSA-N 268.316 2.643 0 1 CFAF CCC[C@]1(C(C)=O)CC(=O)c2cc(C)cc(N)c2O1 587403237 LGOAVTAKEVYVKY-OAHLLOKOSA-N 261.321 2.670 0 1 CFAF O=c1c(-c2ccc3c(c2O)OCO3)coc2cc(O)ccc12 13546348 GRMSSCUVELGNHC-UHFFFAOYSA-N 298.250 2.600 0 1 CFAF endogenous,in-man CO[C@H]1c2ccccc2-c2c3c(cc4c2[C@@H]1NCC4)OCO3 14618064 OBJBIHSGZLMMBX-IRXDYDNUSA-N 295.338 2.970 0 1 CFAF CC(C)SCCCNC[C@@H](O)COc1ccccc1 169325234 WEEHXNUUFIMTRY-CQSZACIVSA-N 283.437 2.548 0 1 CFAF CS(=O)(=O)N1N=C2CCCC[C@@H]2[C@H]1c1ccc(F)cc1 261367222 KLRLPNHPDPJMOW-GXTWGEPZSA-N 296.367 2.688 0 1 CFAF CN(C)C(=O)c1ccc(NCc2ccc(F)cc2)cn1 29211927 LKESXHVDFZFZOJ-UHFFFAOYSA-N 273.311 2.535 0 1 CFAF Cc1ccccc1Cn1cc(C(=N)S)c2c(N)ncnc21 20405 PMZMUVDIJJLPRQ-UHFFFAOYSA-N 297.387 2.625 0 1 CFAF CC(C)CNC(=O)C=CC=CCC[C@H]1C=C[C@H](C)O1 2356386906 ZXHACYOKQOFDTK-GJZGRUSLSA-N 263.381 2.995 0 1 CFAF CC(=O)N1CCC2(CCCN(c3ccccc3)C2)CC1 3955805 KLFHEZZTTUTDQU-UHFFFAOYSA-N 272.392 2.916 0 1 CFAF CC(C)(COCCCO)Nc1cccc2c1CCC[C@@H]2O 4096582 SFNBNGKPWMCRRZ-INIZCTEOSA-N 293.407 2.646 0 1 CFAF in-vitro CC1=NN(C(=O)c2ccccc2F)[C@](O)(c2ccccc2)C1 4165371 FROKKSHDBGDKBF-QGZVFWFLSA-N 298.317 2.893 0 1 CFAF CCc1c(C)nc2nncn2c1NCc1ccc(F)cc1 6743077 NXPNULWBVLOZOH-UHFFFAOYSA-N 285.326 2.746 0 1 CFAF Cn1cc(NC(=O)N2CCCCCC2)c2ccccc2c1=O 6931800 MEUJDOCMVUQGLT-UHFFFAOYSA-N 299.374 2.946 0 1 CFAF C[C@@H]1C[C@@H]2Nc3ccc(Br)cc3N2C(=S)N1 103201884 SJXRXYFVFQHGQV-LHLIQPBNSA-N 298.209 2.674 0 1 CFAF CCOc1cnc2c(CC)cnn2c1SCC 26478337 OBKWLASXQOMPNK-UHFFFAOYSA-N 251.355 2.802 0 1 CFAF CCO[C@H]1OC(=O)C(Cl)=C1Nc1ccccc1C 100798904 XRSUXRAHWOTJNO-ZDUSSCGKSA-N 267.712 2.777 0 3 CFAF O=Cc1onc2c1CCO[C@@H]2c1ccccc1Cl 103187053 UHNIAFMIXGZCGR-CYBMUJFWSA-N 263.680 2.803 0 1 CFAF Cc1ccc(F)cc1N1C(=O)[C@H]2CC=CC[C@H]2C1=O 103971352 NQQJAOQOZURINV-TXEJJXNPSA-N 259.280 2.590 0 1 CFAF CN1CCc2c1nc1cc(Br)ccc1c2N 29212281 ZKKBCDQMTOERPA-UHFFFAOYSA-N 278.153 2.572 0 1 CFAF C[C@@H](CO)[C@@H]1CCc2coc3cc(C(=O)O)cc1c23 2356325259 NJYGTKDUQVRJAI-KWQFWETISA-N 260.289 2.789 0 1 CFAF CC(C)[C@H]1CCCC(=O)N(Cc2ccccc2)C(=O)C=N1 2356801849 QWSNFWAQVYJYLX-OAHLLOKOSA-N 286.375 2.821 0 1 CFAF CC[C@@]1(C)CC(=O)N(Nc2ccccc2Cl)C1=O 40845116 OODZYGOCHMVUEX-ZDUSSCGKSA-N 266.728 2.842 0 1 CFAF CC[C@H]1CC(=O)C[C@]23CCN(C)[C@H](Cc4ccc(O)cc42)[C@H]13 40662548 SZIGYSMMOMTFKG-JHQYFNNDSA-N 299.414 2.896 0 1 CFAF Nc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1 147722052 IDCOLTYZOXHVJM-UHFFFAOYSA-N 290.689 2.538 0 1 CFAF COc1ccc(Oc2ccc(C(=O)O)cc2)cc1C(=O)O 238773055 MMJGGNPWGQSTGP-UHFFFAOYSA-N 288.255 2.884 0 1 CFAF COc1ccc2c(c1)[C@@H](CCNC(C)=O)CC(C)(C)O2 299849459 XWHOHSHSHJNMQZ-LBPRGKRZSA-N 277.364 2.866 0 1 CFAF C[C@@H]1OC(=O)[C@@H]1NC(=O)OCc1ccc(C(C)(C)C)cc1 299841153 YFLYTRKBKOPUMA-GXFFZTMASA-N 291.347 2.524 0 1 CFAF CCOC(=O)C1=C(C)Nc2nccn2[C@H]1c1cccs1 653745106 BQKSFNGEGLUOBZ-LBPRGKRZSA-N 289.360 2.797 0 1 CFAF CCCc1sc(=N)[nH]c1-c1nc2cc3cn[nH]c3cc2[nH]1 587013533 PLDDOHZZYWIFAZ-UHFFFAOYSA-N 298.375 2.928 0 1 CFAF CCn1cc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cn1 587875884 ONXUANLCKSAMPO-UHFFFAOYSA-N 298.277 2.700 0 1 CFAF COc1cccc2c3c(cnc12)CCN[C@@H]3CCCN(C)C 963047406 PHNGQOAPIWQKQD-OAHLLOKOSA-N 299.418 2.772 0 1 CFAF COc1ccccc1S(=O)(=O)/C=C/c1ccncc1 205696286 UFSSGYKNMRZODA-DHZHZOJOSA-N 275.329 2.535 0 1 CFAF CC(C)CNC(=O)/C=C\C=C/c1ccc2c(c1)OCO2 5080506 WHAAPCGHVWVUEX-GLIMQPGKSA-N 273.332 2.757 0 1 CFAF biogenic,in-vitro CNCCN1CCC(OCc2ccccc2Cl)CC1 1772629507 VVGWNMSYHCMOPA-UHFFFAOYSA-N 282.815 2.540 0 1 CFAF Cc1ccnc2c1N(C)C(=O)c1cccnc1N2C1CC1 5931472 AROAJCGIVIHNIF-UHFFFAOYSA-N 280.331 2.676 0 1 CFAF CCOC(=O)[C@]1(c2ccccc2)Oc2ccccc2[C@@H]1N 169304458 MFYQEXGNAIUHIE-DOTOQJQBSA-N 283.327 2.537 0 1 CFAF CN1C(=O)[C@@H](c2ccccc2)Oc2cc3c(cc21)OCO3 1857647149 WOYJYJSZSDVLKR-OAHLLOKOSA-N 283.283 2.512 0 1 CFAF C[C@@H](C(=O)O)c1ccc2c(c1)OCc1ccccc1C2=O 2002647 ZLHKCAHRTBIOOR-SNVBAGLBSA-N 282.295 2.998 0 1 CFAF CC(=O)[C@H]1[C@H](c2ccc(C)cc2)c2c(noc2C)C[C@@]1(C)O 1064782 VOEPNEXOAAXCCH-FGTMMUONSA-N 299.370 2.936 0 1 CFAF O=C1NC2(CCCCCC2)[C@H]2CCCCCC[C@]12O 1620278 RHKYNGKMJNUJKI-CZUORRHYSA-N 265.397 2.911 0 1 CFAF Cc1cc2ccc(=O)oc2cc1OCC=CC(C)(C)O 2356425532 HFTAFOQKODTIJY-UHFFFAOYSA-N 274.316 2.807 0 1 CFAF CCNc1nc(NCC)nc(N2CCCc3ccccc32)n1 58511673 NDVLLPJLEPNHSY-UHFFFAOYSA-N 298.394 2.820 0 1 CFAF O=C1NC[C@H](c2ccc(F)cc2)N1c1ccc2[nH]cnc2c1 116193805 FJLDBYYALYEKIE-OAHLLOKOSA-N 296.305 2.973 0 1 CFAF Cc1ccc2nc3c(O)n(Cc4ccncc4)cnc-3c2c1 101929413 ORMRNWJZENUPGK-UHFFFAOYSA-N 290.326 2.993 0 1 CFAF C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@H]2C1=O 28711738 RWIZCLOKALYHLB-NZBFACKJSA-N 281.355 2.945 0 1 CFAF COC(=O)[C@@H]1C=C[C@@H](C)[C@@H](CCOc2ccccc2)O1 66139308 SJURJHVQPGUJTI-YUELXQCFSA-N 276.332 2.588 0 1 CFAF C[C@@]12CCNC(=O)[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 29417176 HSMQDJJGFZMMRG-YPUZQZOVSA-N 291.435 2.726 0 1 CFAF O=C(O)c1cn2c3c(cc(F)c(Cl)c3c1=O)SCC2 27524475 RQNWSLLUPFHDEQ-UHFFFAOYSA-N 299.710 2.598 0 1 CFAF COc1ccc([C@H]2CC(=O)c3ccc(O)cc3O2)cc1C=O 2356450358 QWIZXJKBASERLU-MRXNPFEDSA-N 298.294 2.920 0 1 CFAF O=C(c1ccccc1)c1c(Cl)cc2n1CC[C@H]2C(=O)O 27903921 IBABWRGZCFLEKY-SNVBAGLBSA-N 289.718 2.944 0 1 CFAF COc1cc(O)c2c(c1O)CCc1cc(O)ccc1-2 2356494374 BPHYJYKCGNKJKR-UHFFFAOYSA-N 258.273 2.578 0 1 CFAF CC[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)NC1CCCCC1 2356541121 GFXOCCWFNLHNCD-DZKIICNBSA-N 293.455 2.739 0 1 CFAF COc1cc(CO)cc(OC)c1-c1ccc(O)cc1 29405670 ZXTGZPNGLIKANY-UHFFFAOYSA-N 260.289 2.569 0 1 CFAF CS(=O)(=O)/C=C/c1ccc(C(=O)c2ccccc2)cc1 27620836 JIQLRBKICODGCU-VAWYXSNFSA-N 286.352 2.933 0 1 CFAF COC(=O)C1=C(C)N=C(C)C(=C(O)OC)[C@@H]1c1ccco1 2356828943 IMUMCVJFVZECHQ-ZDUSSCGKSA-N 291.303 2.701 0 1 CFAF O=C1NCc2cccc(-c3cc4cc(O)ccc4[nH]3)c21 40979643 MVFMGWGTVLENFC-UHFFFAOYSA-N 264.284 2.784 0 1 CFAF Cc1cccc2c1O[C@@]1(OC(=O)c3ccccc31)C2=O 95592391 NVKWVWXIXLKAEP-INIZCTEOSA-N 266.252 2.594 0 1 CFAF CC(=O)O[C@H]1C/C(C)=C/CC/C(C(=O)O)=C/[C@H]2C[C@@H]12 238764617 JVAVVXRDSNKYPD-ZYUMJJJNSA-N 264.321 2.695 0 1 CFAF CC1(C)CC(=O)Nc2cc(OCCCCCNO)ccc21 299834607 BPDMPPJOEOIRKC-UHFFFAOYSA-N 292.379 2.834 0 1 CFAF Cc1ccnc2[nH]c([C@@H]3C[C@H](O)c4ccccc43)nc12 586900124 ACXFBWGUMCLHPF-OLZOCXBDSA-N 265.316 2.835 0 1 CFAF Cc1cnc(Cl)c2[nH]c(-c3c(N)cccc3O)nc12 587251047 WYCPSUUWJCQNGZ-UHFFFAOYSA-N 274.711 2.875 0 1 CFAF COC(=O)c1cccc(C(=O)c2coc3ccccc23)n1 587280760 XWWMZVCFDHJTOH-UHFFFAOYSA-N 281.267 2.845 0 1 CFAF COc1ncc(C)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587393792 MRYQYMMYQODXCL-HNNXBMFYSA-N 298.342 2.996 0 1 CFAF O=C(Cc1nc2cccc(O)c2[nH]1)OCc1ccccc1 587782212 IXNLGARMFIPXRC-UHFFFAOYSA-N 282.299 2.554 0 1 CFAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc(=N)[nH]cc2[nH]1 587028788 XDSYOZVDDBOMHT-UHFFFAOYSA-N 296.359 2.797 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc3ccccn13)O2 587393057 BCJNGJHCFWSUJC-OAHLLOKOSA-N 293.326 2.931 0 1 CFAF Oc1cccc([C@H](O)c2nc3cnc4ccccc4c3[nH]2)c1 586892519 RJACAQOUTPGHPN-INIZCTEOSA-N 291.310 2.898 0 1 CFAF CCCOc1cccc(Cc2nc3cc[nH]c(=N)c3[nH]2)c1 587777893 FPZYDHKUXQZQMR-UHFFFAOYSA-N 282.347 2.750 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)CCC1(CCCCC1)C3 587562367 YFUCBEAIJIUHIO-UHFFFAOYSA-N 285.347 2.875 0 1 CFAF Oc1ncnc2[nH]c(-c3ncsc3-c3ccccc3)nc12 587027754 JIPMGMTYLULQLB-UHFFFAOYSA-N 295.327 2.849 0 1 CFAF Cc1cccc2c1NC1=C(Br)CCN1C2=O 957560886 CAEAOGLBRPQGLS-UHFFFAOYSA-N 279.137 2.830 0 1 CFAF Clc1ccc(N2N=NC(=C3N=CC=N3)N2)cc1Cl 12726054 RRQJUOJQCPMOIH-UHFFFAOYSA-N 281.106 2.967 0 3 CFAF CCCOc1cc(OC)cc2[nH]c(C(=O)OC)cc12 169349113 DDOOTOIUPVHWHV-UHFFFAOYSA-N 263.293 2.752 0 1 CFAF O=C(Cc1ccccc1)SNC(=O)c1ccccc1 166624696 JBMYKXDKKKWDMZ-UHFFFAOYSA-N 271.341 2.834 0 1 CFAF NC(=O)c1cc2ccc(=O)cc-2oc1Nc1ccccc1 4433249 MYGBHDXNMPVOKE-UHFFFAOYSA-N 280.283 2.587 0 3 CFAF O=C1[C@@H]2CCCN2[C@@H](c2ccccc2)N1c1ccccn1 244660 FHOUKTCDMZUIKD-GOEBONIOSA-N 279.343 2.591 0 3 CFAF Nc1ncc(Sc2ccccc2C(=O)O)s1 1651744 NLEZXFVPRPSTOE-UHFFFAOYSA-N 252.320 2.575 0 1 CFAF CCOC(=O)[C@H](C(C)C)[C@@H](N)Cc1ccc(F)cc1 2944924 UTBUMZRCKSPAIC-UONOGXRCSA-N 267.344 2.531 0 3 CFAF CC1(C)C(=O)[C@H]2c3ccccc3[C@H]1[n+]1ccccc12 100714685 FOIKFBKEQLCUEJ-LSDHHAIUSA-N 250.321 2.618 0 1 CFAF Cc1c([C@H](C)OC(=O)NC2CCCCC2)oc2ncnn12 66259921 CNFIVLKIXHARPC-JTQLQIEISA-N 292.339 2.751 0 1 CFAF Cc1cc(Br)cc(C)c1O[C@@H](C)C1=NCCN1 27715986 GJRGYCIJSXSSQL-JTQLQIEISA-N 297.196 2.835 0 1 CFAF Cc1ccc2c(c1)oc(=O)n2Cc1cccc(O)c1 64539746 XVNQYKVZDPEHQV-UHFFFAOYSA-N 255.273 2.657 0 1 CFAF Cc1cc(-c2ccccc2)nc(N2CCC[C@H](C(=O)O)C2)n1 20463305 WZKRUNXTGJTLIY-AWEZNQCLSA-N 297.358 2.753 0 1 CFAF CC(C)C[C@H](O)c1c2c(cc3ccc(=O)oc13)OCO2 2356482529 OHYSCNFPDWQZAH-JTQLQIEISA-N 276.288 2.601 0 1 CFAF CN1C(=O)CC[C@H](Cc2ccc(C(F)(F)F)cc2)C1=O 28009484 AWXYYMMBLKKAAT-SNVBAGLBSA-N 285.265 2.643 0 1 CFAF COC(=O)c1ccc(NC(C)=O)cc1OCCC(C)C 40953967 OUUPBBSOAHBMIA-UHFFFAOYSA-N 279.336 2.857 0 1 CFAF Cc1ccc(-c2cnc(N)cn2)c(F)c1Oc1ncccn1 224553803 ODOYCLWLAHCYFP-UHFFFAOYSA-N 297.293 2.756 0 1 CFAF CCOCCCNc1nc(N2CCC[C@@H]2C)ncc1C 82201850 DHNYBQXTQAZAJH-ZDUSSCGKSA-N 278.400 2.612 0 1 CFAF O=c1cc(CCc2ccc(-c3ccccc3)cc2)[nH][nH]c1=O 205886498 IZGUGWLAGDSDBC-UHFFFAOYSA-N 292.338 2.515 0 1 CFAF O=C1C[C@@H](c2ccc(O)cc2O)Oc2ccccc21 653762913 FVRHKBWJCANFEG-HNNXBMFYSA-N 256.257 2.804 0 1 CFAF C[C@H](CCc1nc2cc(Cl)ncc2[nH]1)CC(=O)O 587961824 YGQGXUUCDXTLJK-SSDOTTSWSA-N 267.716 2.655 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1cccnc1)[C@@H](C2)C3=O 587437028 VOLRQTFGOVJSJJ-BLLLJJGKSA-N 267.284 2.579 0 1 CFAF Cc1cc(F)c2[nH]c(Cc3cccnc3N)nc2c1 587253186 CBIPJZHMDJCBTF-UHFFFAOYSA-N 256.284 2.578 0 1 CFAF COc1cncc2nc(/C=C\c3ccc(N)cc3)[nH]c12 587252305 VYJYIQJAXYLUJS-DAXSKMNVSA-N 266.304 2.719 0 1 CFAF NC(=O)Cc1cc2ccccc2c(-c2ccccc2)n1 169315947 GALYMUVTXCWCJA-UHFFFAOYSA-N 262.312 2.930 0 1 CFAF CN1CCc2cn(C)nc2[C@]1(C)c1cc2cc(F)ccc2[nH]1 963956068 UPZKUTVMNKJDGS-KRWDZBQOSA-N 298.365 2.792 0 1 CFAF COc1cc2oc(=O)cc(-c3cccc(O)c3)c2cc1O 13328289 MYVNFPJTNYAPDH-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF endogenous,in-man CSc1ccc(C(F)(F)F)cc1NCC1=NCCN1 13473769 GBSLCSDIFSTSOZ-UHFFFAOYSA-N 289.326 2.841 0 1 CFAF COc1ccc2c3c(c(=O)[nH]c2c1)C=CC(C)(C)O3 15216868 MSNTXSKOUDIFMS-UHFFFAOYSA-N 257.289 2.721 0 1 CFAF NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3ccn[nH]3)cc2)CC1 205406555 QMOFHXLCMXQBLM-IOTAOYMUSA-N 296.418 2.792 0 1 CFAF CC=Cc1ccc(OC(=O)[C@@H](N)C(C)C)c(OC)c1 2356404823 XNEUDXJVFMPTJF-AWEZNQCLSA-N 263.337 2.617 0 1 CFAF Cn1ccc2c(N3CCOCC3)cc3c(c21)[C@@H]1CC[C@@H]3O1 103047512 PCMALLUWAUCOEY-GJZGRUSLSA-N 284.359 2.921 0 1 CFAF O=S1(=O)N=C(Oc2cccc(Cl)c2)c2ccccc21 64721578 YEZWNWVCPJSWRF-UHFFFAOYSA-N 293.731 2.868 0 1 CFAF CC[C@@]12CCCN3CC[C@@H]4c5ccccc5N([C@@H]4[C@H]31)[C@H](O)C2 2356648655 LDHUNICCSKTUCE-IQRFUGTFSA-N 298.430 2.945 0 1 CFAF CC(C)=C[C@@H]1C[C@H](CC(=O)c2cc(O)ccc2O)C(=O)O1 2356728670 QRWTVFKEWNICIM-ZYHUDNBSSA-N 290.315 2.569 0 1 CFAF CN(C)[C]1C=CN(CC(=O)c2ccc(Cl)cc2)C=C1 2356840895 DXHPXHZDUGSQLH-UHFFFAOYSA-N 275.759 2.959 0 1 CFAF Fc1cccc(-c2ccc(N3CCOCC3)nc2)c1F 45299752 AFOUIDYNAJCSAP-UHFFFAOYSA-N 276.286 2.863 0 1 CFAF C[C@@H](Oc1ccc(F)cc1)c1nc2ccnc(O)c2[nH]1 587168323 FTKYULHVVVDICN-MRVPVSSYSA-N 273.267 2.943 0 1 CFAF COC(=O)c1ccc2[nH]c(-c3ccc(CO)cc3)nc2c1 586895565 MYMRTKYVEYDSDT-UHFFFAOYSA-N 282.299 2.509 0 1 CFAF CCOC(=O)C(=O)c1coc2ccc(Cl)cc12 587277005 ZBYPRQMUDHSRNB-UHFFFAOYSA-N 252.653 2.832 0 1 CFAF O=C(O)[C@@H]1CCCc2nc3cccc4c3c(c2C1)CC4 587214527 BNPCFSAVWLBTRM-LLVKDONJSA-N 267.328 2.913 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(Cc3ccccc3C1=O)O2 587406458 HQCPNVVQEBEDFN-SFHVURJKSA-N 293.322 2.720 0 1 CFAF COc1ccc(Cc2nc3ccnc(OC)c3[nH]2)c(F)c1 587149017 OGFSKZVVVQAIKM-UHFFFAOYSA-N 287.294 2.705 0 1 CFAF C[C@@](OC1(C(=O)O)CCCCC1)(C(=O)O)c1ccccc1 169343458 CFKKAUMQKYBYSG-HNNXBMFYSA-N 292.331 2.791 0 1 CFAF O=C(O)CC[C@]1(C2CCCC2)NCCc2ccc(O)cc21 963341649 OHHSKGZXGSPQOT-QGZVFWFLSA-N 289.375 2.788 0 1 CFAF CCOC(=O)c1cc(Cl)nc(-c2ccccn2)c1 35653958 KYCUUQIJSXTRDE-UHFFFAOYSA-N 262.696 2.974 0 1 CFAF COc1ccccc1-c1cc(=O)c2cc(C)cnc2[nH]1 5503962 KUZUVPBLDUCRIZ-UHFFFAOYSA-N 266.300 2.907 0 1 CFAF Cc1oc2ncnc(N3C[C@@H](C)C[C@@H](C)C3)c2c1C(=O)O 6738772 VWAAYONQHXWAHN-DTORHVGOSA-N 289.335 2.712 0 1 CFAF CNC(=O)[C@@H](OC)c1ccccc1Oc1ccccc1 103177182 DYLNOTAAQDKCER-HNNXBMFYSA-N 271.316 2.912 0 1 CFAF Cc1ccn2c(=O)c(NC(=O)c3cccs3)c(C)nc2c1 8803615 PYHOPZWBOMTVKG-UHFFFAOYSA-N 299.355 2.625 0 3 CFAF CN1C[C@H]2C[C@@H](OC(=O)c3cc(F)cc(F)c3)C[C@H]1C2 100649832 KNPHZKMIPVOZPG-OWYVNGRQSA-N 281.302 2.604 0 1 CFAF Fc1ccc2c3nc(-c4ccon4)nc-3c[nH]c2c1 100773920 KDOZSMAEEFNWBH-UHFFFAOYSA-N 254.224 2.857 0 1 CFAF CCCCNC(=S)N1CCC(c2ccccc2)=N1 103194644 BVZUIWMHOMXYLT-UHFFFAOYSA-N 261.394 2.771 0 1 CFAF OC(c1cncnc1)(c1cccs1)c1cccs1 28767816 JDOOHSDQFZOEPN-UHFFFAOYSA-N 274.370 2.884 0 1 CFAF COc1cccc([C@@H]2C3=C(O)CCCC3=Nc3ncnn32)c1 103543086 ZJYRHLYWBDOTGT-OAHLLOKOSA-N 296.330 2.958 0 1 CFAF C[C@@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)O 2356653443 DPIYCAYRBDGJLM-ZCFIWIBFSA-N 267.668 2.747 0 1 CFAF CC=C(C)C(=O)OCC=Cc1ccc(O)c(OC)c1 2356684362 OEGQDBRSUCLZII-UHFFFAOYSA-N 262.305 2.923 0 1 CFAF O=C1C[C@H](O)C[C@H](c2ccc(Cl)cc2Cl)O1 27110230 RFPNEFIBBGOWDF-GMSGAONNSA-N 261.104 2.732 0 1 CFAF O=C1C=C(Cl)[C@](O)(c2ccc(Cl)cc2)N1C1CC1 224813125 DSWSKLAYIDZKGD-CYBMUJFWSA-N 284.142 2.612 0 1 CFAF COc1cc(OC)c2c3c([nH]c2c1)-c1n[nH]cc1CC3 96922096 SDBXRGJGBQUGGX-UHFFFAOYSA-N 269.304 2.674 0 1 CFAF Clc1cnc2[nH]c(-c3cnc(Cl)nc3)nc2c1 587085680 ARMIIGPOIUQZKI-UHFFFAOYSA-N 266.091 2.722 0 1 CFAF Cc1cnc(Cl)c2[nH]c([C@@H](O)c3cccc(O)c3)nc12 586890376 IVKJAXRBJXNRJO-LBPRGKRZSA-N 289.722 2.707 0 1 CFAF Oc1c(F)cc(F)cc1-c1nc2cccc(O)c2[nH]1 587133836 CGDCXQPFCJEILZ-UHFFFAOYSA-N 262.215 2.919 0 1 CFAF O=NCc1ccc(-c2nc3cc(CO)ccc3[nH]2)cc1 587189606 CQHGKHYRBNSDCK-UHFFFAOYSA-N 267.288 2.989 0 1 CFAF Nc1cc(-c2nc3cccc(F)c3[nH]2)ccc1CC(=O)O 587250351 SIHUAWWBOWBSPR-UHFFFAOYSA-N 285.278 2.578 0 1 CFAF CC[C@@]1(c2ccnn2C)CC(=O)c2cc(C)cc(N)c2O1 587391945 PKFDBXBRXBAOFX-INIZCTEOSA-N 285.347 2.581 0 1 CFAF Nc1ccccc1-c1[nH]c2cc(F)ccc2c1[C@H](N)C(=O)O 587636092 QHUWGMBLNWXKCE-AWEZNQCLSA-N 299.305 2.641 0 1 CFAF COc1cncc(N)c1-c1nc2c(Cl)ncc(C)c2[nH]1 587253009 XPKKKSWXHANACZ-UHFFFAOYSA-N 289.726 2.573 0 1 CFAF C[C@@H](SCc1ccccc1)c1nc2c(N)ncnc2[nH]1 586961741 LJXXMXHNOQJWOZ-SECBINFHSA-N 285.376 2.930 0 1 CFAF Cc1ncsc1CCc1nc2c(Cl)ncnc2[nH]1 587027044 MYKQJBUUUZUSLT-UHFFFAOYSA-N 279.756 2.556 0 1 CFAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1O)CC2=O 587484352 SZSKBLFFTFCANO-ZBFHGGJFSA-N 276.332 2.594 0 1 CFAF CCc1ccc(-c2nc3nc(=N)[nH]cc3[nH]2)cc1CC 586879427 PLJMHXNFBPTHKL-UHFFFAOYSA-N 267.336 2.557 0 1 CFAF COc1nccc2nc(-c3ncccc3Cl)[nH]c12 587065851 ZQWFATUMVMECHI-UHFFFAOYSA-N 260.684 2.682 0 1 CFAF O=C1N=C2SCCN2/C1=C\c1ccc(Cl)cc1 1018659 IWSSVBLSEOKVMQ-YFHOEESVSA-N 264.737 2.626 0 3 CFAF CN1N(c2ccc(Cl)cc2)C(=S)NC1(C)C 1772626472 JBKOJPCBEMJCCS-UHFFFAOYSA-N 255.774 2.617 0 1 CFAF c1ccc2c3c([nH]c2c1)C[C@@H](NC1CCOCC1)CC3 1772580452 IOXWMNDSTJSFPB-ZDUSSCGKSA-N 270.376 2.794 0 1 CFAF Cc1ccc2c(c1)C(=O)C[C@@H]1[C@](C)(CO)CC(=O)C[C@@]21C 1772611917 BXUNHMZKUVSXOE-SQNIBIBYSA-N 286.371 2.817 0 1 CFAF COc1cccc2c1-c1c3c(cc4c1[C@@H](C2)NCC4)OCO3 5640649 VEGWTRMHBZNJFY-GFCCVEGCSA-N 295.338 2.834 0 1 CFAF OCCOCn1c(Cl)nc2c(Cl)cc(Cl)cc21 5932746 DBMYEQBHDOVJED-UHFFFAOYSA-N 295.553 2.963 0 1 CFAF COc1ccc(-n2cc3c(n2)c(=O)[nH]c2ccccc23)cc1 13809636 GCANLAFNZTWZHK-UHFFFAOYSA-N 291.310 2.876 0 1 CFAF CCO[C@]1(C)CC[C@H](C(C)C)[C@H](O)[C@@H]2[C@H]1CC[C@]2(C)O 2356417331 YGOHZWXICDKWGL-IFTGGNMHSA-N 284.440 2.986 0 1 CFAF CC1=C[C@@H]2[C@H](CC1)C(C(=O)O)=C[C@@H](O)[C@H]2C(C)C 2356543849 ZLYNIGWZDMTJTK-UNJBNNCHSA-N 250.338 2.617 0 1 CFAF COc1ccc(N2Cc3ccccc3C2=O)cc1N(C)C 29038437 KZEHRFSSYHRJJQ-UHFFFAOYSA-N 282.343 2.922 0 1 CFAF Cc1c([C@@H](C)OC(=O)NC2CCCCC2)oc2ncnn12 66259920 CNFIVLKIXHARPC-SNVBAGLBSA-N 292.339 2.751 0 1 CFAF CCOc1ccccc1OC[C@@H]1CN(C2CCC2)CCO1 40974031 ATDVXPMJJCNASN-HNNXBMFYSA-N 291.391 2.717 0 1 CFAF CO[C@H]1CCCc2[nH]c(=Nc3cccnc3)sc21 1857769507 LTJQUYOAMHHLEB-NSHDSACASA-N 261.350 2.727 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]3CC[C@H]1N3C)O2 587397423 AOUSHXKBKQRKMP-RGYTYGDFSA-N 286.375 2.538 0 1 CFAF COc1ccc2nc(/C=C3/OC(=O)c4ccccc43)[nH]c2n1 586906861 RUYZZPILNFQDHL-XYOKQWHBSA-N 293.282 2.635 0 1 CFAF O=C(/C=C/c1nc2ccc(O)cc2[nH]1)Nc1ccccc1 587244183 MAUWWEQVHUAPRA-CMDGGOBGSA-N 279.299 2.920 0 1 CFAF O=C(C1CCCC1)n1ncc2ccc(Cl)cc2c1=O 587652044 KDVRAGKYOZKRDJ-UHFFFAOYSA-N 276.723 2.880 0 1 CFAF C[C@@H]1CNCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527726 WDVDRXZIATZADT-XIKOKIGWSA-N 285.387 2.899 0 1 CFAF Cc1nc(-c2c[nH]cc2-c2nc3cncnc3[nH]2)cs1 587020392 AFWRURHLQWTSFX-UHFFFAOYSA-N 282.332 2.780 0 1 CFAF COc1cc2nc([C@H](O)C3CCOCC3)[nH]c2cc1Cl 586913562 NGGOTRMRFCUSHU-CYBMUJFWSA-N 296.754 2.685 0 1 CFAF Clc1ccc2nc(CCOCC3CC3)[nH]c2n1 587783949 JTVVLHIFJNVELO-UHFFFAOYSA-N 251.717 2.580 0 1 CFAF O=C(O)c1cccc2c1CCN[C@@H]2CCC(F)(F)F 963135154 XDGPSGVLTKCUKT-LLVKDONJSA-N 273.254 2.914 0 1 CFAF Clc1cccc2c1N1CCCNCC[C@@H]1CC2 1772614840 UAPJPSLLIFFBKM-LBPRGKRZSA-N 250.773 2.845 0 1 CFAF COC(C/C=C/[C@@H](O)[C@H](C)OCc1ccccc1)OC 12477981 VQFCTNUGJJZSHM-WOPSIANGSA-N 280.364 2.518 0 3 CFAF CCCCCNC1=NCCN1OCc1ccc(OC)cc1 13539098 FUDCDTHAYBBECJ-UHFFFAOYSA-N 291.395 2.578 0 1 CFAF CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CC(=O)N(C)C)C1 13579475 IGOIMDYNTJNYKK-DZGCQCFKSA-N 294.826 2.854 0 1 CFAF C[C@]12CC3CC([C@@H](O)CN4CCOCC4)(C1)C[C@](C)(C3)C2 169295034 YPJDTIFSLVJTDN-XTJLLSPMSA-N 293.451 2.676 0 1 CFAF C/C1=C\CC(=O)[C@@H](C)C[C@H]2OC(=O)[C@H](C)[C@@H]2CC1 169666281 KLZWSNKEPLKAOS-DSWGDZCZSA-N 250.338 2.890 0 1 CFAF biogenic CCOP(=O)(OCC)[C@H]1C(=O)O[C@H]2CCCC[C@H]21 5839037 LEBYUNYOSXULBK-OUAUKWLOSA-N 276.269 2.737 0 1 CFAF NCc1cc2cc(-c3ccc4nccn4c3)ccc2[nH]1 1857612605 KIKOQHVMPGDQDD-UHFFFAOYSA-N 262.316 2.941 0 1 CFAF Nc1nc(N)c2nc(Nc3ccc(Cl)cc3)ccc2n1 3814935 HJRUOZFNPQVNSF-UHFFFAOYSA-N 286.726 2.586 0 1 CFAF CC(C)Cc1ccc([C@@H](C)C(=O)N[C@@H]2CCN(C)C2)cc1 13646145 LWNZBPLGOUVEMD-RHSMWYFYSA-N 288.435 2.809 0 1 CFAF CCCCOc1ccc2c(c1)CCCc1nncn1-2 103217490 XJSHVBGLAYNTLQ-UHFFFAOYSA-N 257.337 2.935 0 1 CFAF C[C@H]1[C@@H]2[C@H]3Cc4ccc(O)cc4[C@]2(CCN3C)CC(=O)[C@@H]1C 100787935 UXGGGGCNEATCRR-JSPNGRFBSA-N 299.414 2.751 0 1 CFAF CO[C@@]12C=C[C@H](CC1=O)c1c(F)c(F)c(F)c(F)c12 104065586 HTGDEGJCHPJUJS-GMAUIZIOSA-N 272.197 2.711 0 1 CFAF C[C@H]1[C@@H]2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2CC1CC1 29411253 FAVQVALXVLMHLE-KHDYIWLOSA-N 298.430 2.720 0 1 CFAF in-vivo O=C(O)c1ccc(-c2ccnc(Nc3ccncc3)n2)cc1 29126432 UVNOAYMKIPXECZ-UHFFFAOYSA-N 292.298 2.980 0 1 CFAF CC(C)[C@@H]1CC[C@H](C)[C@@]2(O)CCC(C(=O)O)=C[C@H]12 2356651940 ISNQOHCTTZIKKK-DNVSUFBTSA-N 252.354 2.841 0 1 CFAF c1csc(-c2nc(CNC[C@H]3CCCO3)co2)c1 72183129 VJWQSWKVYGVLPJ-LLVKDONJSA-N 264.350 2.672 0 1 CFAF CC(C)=CCCC(C)=CCNCCCN(C)CCCN 1911582758 VDLUUXZYJFKAFB-UHFFFAOYSA-N 281.488 2.939 0 1 CFAF Fc1ccc([C@@H]2Cc3nccn3C2)c(-c2cncnc2)c1 40378955 LOWJTSZIULCLQH-LLVKDONJSA-N 280.306 2.819 0 1 CFAF Cc1ncsc1[C@H](OCCOCCO)c1ccccc1 95552275 IILFEAUTKSFWHH-CQSZACIVSA-N 293.388 2.566 0 1 CFAF COc1cc(/C=C/c2cccc(OC)c2O)oc(=O)c1 238739430 QAILHFDEJHVURM-VOTSOKGWSA-N 274.272 2.533 0 1 CFAF COc1cccc(-c2cccc3c2CC(=O)[C@@H](N)CC3)c1 473085558 XVJKSDVSVRMVEM-KRWDZBQOSA-N 281.355 2.747 0 1 CFAF CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2cccnc2)cc1 299856612 CWHHCUGTSVYUTG-IRXDYDNUSA-N 265.360 2.641 0 1 CFAF O[C@H]1CC[C@@H](c2nc3ccc(F)c(F)c3[nH]2)CC1 586900002 YXPFSXNWPFLUTL-OCAPTIKFSA-N 252.264 2.860 0 1 CFAF CC(C)Oc1ccc2nc([C@H]3CC[C@@H](N)C3)[nH]c2c1 587247396 QXCODTAULSZWQS-WDEREUQCSA-N 259.353 2.945 0 1 CFAF COc1ccc2nc(C[C@H]3CCC(=O)[C@H]3C)[nH]c2c1 587963726 REXYMGWDVBYDBG-VHSXEESVSA-N 258.321 2.729 0 1 CFAF C[C@@H]1O[C@H]1c1nc2cc(F)cc(Br)c2[nH]1 586916861 HNHKENLRFJCIDT-AJAUBTJJSA-N 271.089 2.924 0 1 CFAF CC(C)[C@@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)N(C)C 587198570 KPFMRBAPVBRZKY-QMMMGPOBSA-N 287.289 2.582 0 1 CFAF COC(=O)c1cc(Cl)c2[nH]c([C@](C)(O)C(C)C)nc2c1 586893500 ZPZKNKDKDMFYRO-CQSZACIVSA-N 296.754 2.866 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](c1cc[n+]([O-])cc1)CC2=O 587471246 PBDZYXWRDCYXTI-MRXNPFEDSA-N 299.326 2.685 0 1 CFAF Cc1cccc(C)c1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2 12935305 GGXJJEQPCDDEBZ-CRWXNKLISA-N 285.343 2.765 0 1 CFAF O=C(CCc1ccc(O)cc1)c1c(O)cccc1O 13341176 MFSQVENEXNTVHO-UHFFFAOYSA-N 258.273 2.619 0 1 CFAF COC(=O)C1=C[C@@]2(C)CC[C@@H]3[C@@H](C)CC(=O)[C@@]32[C@@H]1C 14509527 SJNFRYWQDFKLRC-DUEXZNCYSA-N 262.349 2.747 0 1 CFAF COc1cccc2c3c(ccc12)C[C@@H](O)C(C)(C)O3 15212825 HXLXDCDNZWTWTQ-CQSZACIVSA-N 258.317 2.923 0 1 CFAF COc1ccc2ccc3c(c2c1)[C@H](CNC(N)=O)CC3 1857649267 AIOFAAQPUFNQBS-LBPRGKRZSA-N 270.332 2.547 0 1 CFAF CSC[C@@H]1CN(C)[C@H]2Cc3c[nH]c4cccc(c34)[C@@H]2O1 34031517 GYUHVILBXXBZDS-PJODQICGSA-N 288.416 2.827 0 1 CFAF CC(C)[C@@H](C=C[C@@]1(C)C[C@H](O)CO1)CC[C@H](C)O 2356433463 KESQMTSCBAOJNY-XGUBFFRZSA-N 256.386 2.516 0 1 CFAF O[C@@](c1ccncc1)(c1ccc(Cl)cc1)c1cc[nH]n1 6849511 FWLWXCQBGAVNQZ-OAHLLOKOSA-N 285.734 2.742 0 1 CFAF CN(C)c1nc2ccccc2n2nc(-c3ccco3)nc12 29124086 UJFPJOPSOWGNHE-UHFFFAOYSA-N 279.303 2.604 0 1 CFAF C=Cc1c(-c2ccccc2)nn(CCCC)c(=O)c1N 28655244 PTSMMFFDBIGIGG-UHFFFAOYSA-N 269.348 2.936 0 1 CFAF C1=C(c2ccc3nccnc3c2)C[C@H]2CNC[C@H]1C2 101576494 HGGAFEZREIVLAZ-RYUDHWBXSA-N 251.333 2.643 0 1 CFAF C[C@@H]1COc2c(ccc3[nH]c(=O)cc(C(F)(F)F)c23)N1C 28953743 XYBKTQVLMCZBNZ-SSDOTTSWSA-N 298.264 2.764 0 1 CFAF CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1[C@H]1CCCN1 27562102 XGMLBPJJPPLOLJ-LZLYRXPVSA-N 286.419 2.565 0 1 CFAF CC(C)[C@@H]1CC[C@H](C)[C@@]2(O)CCC(C(=O)O)=C[C@@H]12 2356651943 ISNQOHCTTZIKKK-NHULGOKLSA-N 252.354 2.841 0 1 CFAF CS(=O)(=O)/C=C/c1cccc(C(=O)c2ccccc2)c1 27621151 FEJLRDIFMIUETO-ZHACJKMWSA-N 286.352 2.933 0 1 CFAF CC(C)NC(=O)[C@@]1(C)CCN1C/C=C/c1ccccc1 61905638 FBTMYLCJTYJZPE-PYUISTEWSA-N 272.392 2.689 0 3 CFAF Fc1ccc([C@@H]2Cc3nccn3C2)c(-c2ccn[nH]2)c1 40875173 BXJSKCZBNVAQEJ-SNVBAGLBSA-N 268.295 2.752 0 1 CFAF NC(=S)N1N=C(c2ccc[nH]2)C[C@@H]1c1ccc(F)cc1 49110042 SOMVAVPLBSNGKF-CYBMUJFWSA-N 288.351 2.549 0 1 CFAF CN(c1ccsc1)c1nc(=O)c2cccnc2s1 147938693 HPUOFVZOQMVDHR-UHFFFAOYSA-N 275.358 2.881 0 1 CFAF N[C@@H](Cc1ccc(NCC2CCCCC2)cc1)C(=O)O 98209484 NUIBFAHQOJEDAX-HNNXBMFYSA-N 276.380 2.633 0 1 CFAF in-vitro CC[C@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651715 CQCLNHNNHFDUEX-QMMMGPOBSA-N 264.712 2.736 0 1 CFAF CSc1ccc2nc(-c3cncc(N)c3)[nH]c2c1 587254345 NDJGCWNUQDDWQH-UHFFFAOYSA-N 256.334 2.929 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCCC[C@@H](C)O)O2 587403044 DKPIWKKBWAYGNU-NEPJUHHUSA-N 277.364 2.852 0 1 CFAF Cc1c(Br)cnc2[nH]c(C[C@@H](C)N(C)C)nc12 587192153 RTGXLEFARGILKN-SSDOTTSWSA-N 297.200 2.521 0 1 CFAF Cc1ccnc2[nH]c(/C=C/C(=O)Nc3ccccc3)nc12 587243733 HONADWKALVRGBF-BQYQJAHWSA-N 278.315 2.918 0 1 CFAF Cc1cccc(CCc2ccc3c(O)nc(O)nc3n2)c1 587561611 SRMTULJHKOZHEQ-UHFFFAOYSA-N 281.315 2.530 0 1 CFAF COc1cncc(N)c1-c1nc2c(F)c(F)c(F)cc2[nH]1 587253028 YESRCYAZULVBNQ-UHFFFAOYSA-N 294.236 2.633 0 1 CFAF CC(C)(SCC(=O)O)c1nc2ccc(F)c(F)c2[nH]1 586960957 YKHHEFRDSXCMQT-UHFFFAOYSA-N 286.303 2.894 0 1 CFAF CCOCCOCc1nc2cc(C(F)(F)F)ncc2[nH]1 587778042 GDDOEYNRNYYWPJ-UHFFFAOYSA-N 289.257 2.530 0 1 CFAF CC(=O)Nc1cccc(Cc2nc3cnccc3[nH]2)c1 587242935 ZUEFUKNTOPBJQK-UHFFFAOYSA-N 266.304 2.507 0 1 CFAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cncnc2[nH]1 587932493 PAGMJLKGZYCNEL-ZBEGNZNMSA-N 280.331 2.807 0 1 CFAF COc1ccc2nc([C@@H](O)c3ccccc3Cl)[nH]c2n1 587059282 NNXGXXOJUQMQMJ-LBPRGKRZSA-N 289.722 2.702 0 1 CFAF CNc1c(F)cccc1-c1nc2c(Cl)ncnc2[nH]1 587135599 JIPUKDHAWUMVQA-UHFFFAOYSA-N 277.690 2.854 0 1 CFAF Oc1nc(O)c2ccc(-c3ccccc3Cl)nc2n1 587368381 IROSLPXOXOVXRN-UHFFFAOYSA-N 273.679 2.756 0 1 CFAF CC[C@]1(Cc2ccco2)NCCc2c(C)ccnc21 963070266 GILARSRYIQQEQW-MRXNPFEDSA-N 256.349 2.977 0 1 CFAF Nc1nc(-c2ccco2)cn2cc(-c3ccco3)nc12 1772596687 GOGGGJNLSFUNNU-UHFFFAOYSA-N 266.260 2.832 0 1 CFAF Nc1cccc(-c2cc(=O)c3cc4c(cc3[nH]2)OCO4)c1 5580669 UOUWLYLXVPBLPW-UHFFFAOYSA-N 280.283 2.506 0 1 CFAF COc1cc(N)c2oc(-c3ccc(N)cc3)cc(=O)c2c1 13738760 FDYIWBBSRIXXNU-UHFFFAOYSA-N 282.299 2.633 0 1 CFAF c1ccc(Cc2cnc(OCCN3CCCC3)o2)cc1 13805490 WNDICOXKIDFTDP-UHFFFAOYSA-N 272.348 2.740 0 1 CFAF O=C(O)CCCCCc1cc(=O)c2ccccc2[nH]1 14585630 NBNPEGHROMCSNC-UHFFFAOYSA-N 259.305 2.716 0 1 CFAF CN1CCC2(CC1)Oc1ccccc1[C@H]2n1cccc1 29318761 ZUAMGAODWYGAHS-MRXNPFEDSA-N 268.360 2.934 0 1 CFAF Cc1coc2c1[C@@H](O)[C@]1(C)[C@H](CC[C@H](O)[C@@H]1C)C2 100823480 JWKRZHJQYDUUNQ-OJBMOBIPSA-N 250.338 2.591 0 1 CFAF endogenous,in-man Cc1cc2c(cc1O)[C@]1(C)CCC(=O)C(C)(C)[C@H]1[C@H](O)C2 103227574 CRCGZPVGNSFIDX-KYJSFNMBSA-N 288.387 2.881 0 1 CFAF Cc1[nH]nc2c1[C@H](c1ccc(F)cc1)C1=C(O)OCC1=N2 103670217 KUBCVSYLRDJNCH-LBPRGKRZSA-N 285.278 2.875 0 1 CFAF CCN1CCO[C@H]2Cc3c(SC)ccc(OC)c3C[C@@H]21 27549750 CINPNDZUZZNLRF-ZFWWWQNUSA-N 293.432 2.605 0 1 CFAF O=c1c2c(c3cccnc3n1-c1ccc(Cl)cc1)OCC2 28761934 MCXSINUHNHHYOP-UHFFFAOYSA-N 298.729 2.974 0 1 CFAF COc1ccc2ccc(C(=N)N)cc2c1[C@H]1CCOC1 26829210 ADSBUUURIYITQD-LBPRGKRZSA-N 270.332 2.636 0 1 CFAF C[C@H](C(=O)O)[C@H]1CC[C@@H](C)[C@@H]2CCC(C(=O)O)=C[C@@H]12 2356626084 KRUUDBOQHFKKKU-FWEIOOQHSA-N 266.337 2.790 0 1 CFAF CN1c2ccc(Cc3ccccc3)cc2C[C@@H]1C1=NCCN1 29339865 MOWFPZYDKQXMAE-GOSISDBHSA-N 291.398 2.640 0 1 CFAF CCc1nn(CCO)c(CC)c1Oc1cccc(F)c1 34051104 JEFJCIIUQZLQRX-UHFFFAOYSA-N 278.327 2.932 0 1 CFAF O=Cc1ccc(-c2ccc(Cn3ccnc3)cn2)cc1 84632736 KJHHDVVQRSCQFR-UHFFFAOYSA-N 263.300 2.806 0 1 CFAF Cn1[nH]c(COc2cc(Cl)cc(Cl)c2)cc1=O 95555369 QPQKGGZZGRMRMR-UHFFFAOYSA-N 273.119 2.599 0 1 CFAF O[C@]1(C(F)(F)F)c2ccccc2-c2ncccc21 144678751 DSCLAQNLQSJBSP-GFCCVEGCSA-N 251.207 2.860 0 1 CFAF CC1=C2C[C@H]3[C@](C)(O)CCC[C@]3(C)C[C@H]2OC1=O 238735541 MRZXHHLSYHIZNO-QHSBEEBCSA-N 250.338 2.580 0 1 CFAF CC[C@H](C)NC(=O)c1nc(-c2cccc(C)c2)cnc1N 473106885 YSCKIPHFCXMPLJ-NSHDSACASA-N 284.363 2.563 0 1 CFAF CNC(=O)[C@@H]1C[C@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1 587236373 VMIORRWUPOYMSW-RNFRBKRXSA-N 284.146 2.719 0 1 CFAF COC(=O)c1cccc2nc(C[C@@H]3CCC(=O)[C@H]3C)[nH]c12 587963097 LNGTYROAGNZLHD-UWVGGRQHSA-N 286.331 2.507 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN(C(C)C)C[C@H]1C)O2 587392571 BWOIZYUBJRTFQZ-PXAZEXFGSA-N 288.391 2.641 0 1 CFAF CCn1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cn1 587391195 LLDGWQFJYVJOQA-MRXNPFEDSA-N 285.347 2.674 0 1 CFAF COc1ccc(Cc2nc3cnc(Cl)[nH]c-3n2)c(F)c1 587150035 YIWQMORGRPPZAI-UHFFFAOYSA-N 292.701 2.696 0 1 CFAF CC[C@H]1C[C@]2(CCO1)CC(=O)c1cc(C)cc(N)c1O2 587411410 IWCJYKLSEHKSEP-MEDUHNTESA-N 275.348 2.870 0 1 CFAF CCn1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 587392362 SXQPTOZVQSFDSS-CQSZACIVSA-N 271.320 2.500 0 1 CFAF COC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587802725 UHANKTQZLCNDDP-JVXZTZIISA-N 288.160 2.810 0 1 CFAF CSCCC[C@@H]1NCCc2ccc(C(=O)N(C)C)cc21 962935003 XFAZZUDBOAZSGT-HNNXBMFYSA-N 292.448 2.718 0 1 CFAF CCc1cc(Cl)c(OC)c(N2CCN(C)CC2)c1 1857595703 HNMDMLNEALPPKX-UHFFFAOYSA-N 268.788 2.663 0 1 CFAF NCc1c(-c2ccc(F)cc2)c(C(=O)O)c2ccccn12 1772577097 QUJNBSICAQTVLC-UHFFFAOYSA-N 284.290 2.902 0 1 CFAF Cc1ccc2c(c1)COc1c3ccc(C(=O)O)cc3nn1-2 15937576 XEFRNYRAOYPFKX-UHFFFAOYSA-N 280.283 2.925 0 3 CFAF O=C(NCCc1cn2ccsc2n1)C1CCCCC1 4248524 VGIPOSMWXULCAJ-UHFFFAOYSA-N 277.393 2.635 0 3 CFAF NC(=O)N1c2ccccc2C=C(N)c2ccccc21 103230864 GPSSKPSRPPQPQI-UHFFFAOYSA-N 251.289 2.674 0 1 CFAF CCCCCCOc1nccnc1[C@@H]1CN2CC[C@@H]1C2 27093063 NFWZXXINCSENSK-ZIAGYGMSSA-N 275.396 2.855 0 1 CFAF O=C1Oc2ccc(O)cc2/C1=C/c1ccccc1F 53296768 BSAYPMFDGKZTID-GHXNOFRVSA-N 256.232 2.991 0 1 CFAF OC1=C(c2ccccc2O)C2=NCCN2C2=C1CCC2 26274484 PGXBLMRBMRHDAO-UHFFFAOYSA-N 268.316 2.827 0 1 CFAF CCCc1nc2cc(C)c(C)cc2nc1S(C)(=O)=O 28951103 BJFKNGNUILGLKH-UHFFFAOYSA-N 278.377 2.603 0 1 CFAF O[C@@H](c1ccc(OCCCc2c[nH]cn2)cc1)C1CC1 26466984 XUHJGSXYONRISX-MRXNPFEDSA-N 272.348 2.865 0 1 CFAF Clc1ccc2c(c1)-c1ncnn1Cc1c(Cl)ncn1-2 38219533 VVBYXJYBLBPAEN-UHFFFAOYSA-N 292.129 2.799 0 1 CFAF in-vivo CCCCC=CC=CC=C[C@@H]1CC[C@@H](O)[C@@H](CO)N1C 2356593765 WARMWDVKZKPUTH-BRWVUGGUSA-N 279.424 2.661 0 1 CFAF O=C1CCOc2nc(OCc3ccccc3)ccc21 66112212 FEUUEDWGFHWSKC-UHFFFAOYSA-N 255.273 2.626 0 1 CFAF O=C1C[C@]2(CO1)CSC(=S)N2c1ccc(Cl)cc1 71333077 CWCQOBAOHNADPJ-LBPRGKRZSA-N 299.804 2.864 0 1 CFAF C[C@@H](CC1CCCCC1)OC(=O)N(C)[C@@H]1CCN(C#N)C1 45228552 VZMKOQAIIDFFER-DZGCQCFKSA-N 293.411 2.969 0 1 CFAF CN1C=CN(COCc2ccc(F)cc2)/C1=C\N=O 197055147 QDJDSDJXENRAGY-JYRVWZFOSA-N 263.272 2.584 0 1 CFAF Fc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1 40975854 AEAWXYVKJBWNDY-IRXDYDNUSA-N 287.334 2.934 0 1 CFAF CC(=O)OC/C(=C\CC/C(C)=C/CO)CC/C=C(\C)CO 238748192 XTYOANOPYVEUBI-BCEBTNDVSA-N 296.407 2.914 0 1 CFAF COc1ccccc1-c1cc2ccccc2n(O)c1=O 299822830 PKKRPJQBLGMONZ-UHFFFAOYSA-N 267.284 2.914 0 1 CFAF Cc1cc2nc([C@@H](O)C3CCOCC3)[nH]c2cc1Cl 586914164 VCHZNWXDSJSXHJ-ZDUSSCGKSA-N 280.755 2.985 0 1 CFAF COc1cncc(N)c1-c1nc2cc(Cl)ccc2[nH]1 587252827 ORELIDLICKHLRO-UHFFFAOYSA-N 274.711 2.869 0 1 CFAF O=C1C[C@@H](CC2COC2)Oc2c1ccc1c2CCCC1 587536782 WKOBUPNUYIYDRR-CYBMUJFWSA-N 272.344 2.936 0 1 CFAF C[C@@H](Sc1ncccn1)c1nc2cccnc2[nH]1 586963996 UMCJRAZNCIZSLV-MRVPVSSYSA-N 257.322 2.601 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C)[nH]1)O2 587397405 VAXIKJBGWJXCLP-AWEZNQCLSA-N 256.305 2.920 0 1 CFAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(C(=O)O)c(F)cc2[nH]1 587963628 PMJVVTKJZAOUMY-HTQZYQBOSA-N 290.294 2.558 0 1 CFAF COC[C@H](C)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400372 NFOOZEUKPVNVIB-ZUZCIYMTSA-N 263.337 2.584 0 1 CFAF Cc1cnc2[nH]c(C[C@@H]3CCc4occc4C3=O)nc2c1 586906990 IEZLINPMRYRACI-JTQLQIEISA-N 281.315 2.847 0 1 CFAF CCNC(=S)n1nc(-c2cccc(F)c2)cc1OCC 587872588 OUTBZOMXLMIGII-UHFFFAOYSA-N 293.367 2.830 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C[C@H]1CCCO1)O2 587413959 UPOUXINWAFXHLE-BDJLRTHQSA-N 275.348 2.870 0 1 CFAF CN1CCc2cnn(C)c2[C@@]1(CC(C)(C)C)c1ccccn1 963955680 RGPWGBDOQWMUAZ-GOSISDBHSA-N 298.434 2.983 0 1 CFAF CC[C@H](C)SC(=S)NCC/C=C/[S@@](C)=O 1857775267 LLTWYYHQGIWCHB-JWIFNTTASA-N 265.469 2.675 0 1 CFAF C[C@H]1CCCC[C@H]1c1nnn2cnc3[nH]ccc3c12 1772614049 YJOZVKAKNWBYQO-VHSXEESVSA-N 255.325 2.899 0 1 CFAF COC(=O)c1cc2c([nH]c3ccccc32)c(C(C)=O)n1 13305171 SBZMZGWZRHSWRX-UHFFFAOYSA-N 268.272 2.705 0 1 CFAF Oc1ccc([C@@H]2N=CN[C@@H]2c2ccc(O)cc2F)c(F)c1 13475117 QZSUPMVVMFYVCZ-GASCZTMLSA-N 290.269 2.790 0 1 CFAF CC(=O)Nc1cccc2c1C(=O)c1c(C(C)(C)C)n[nH]c1-2 13492172 PHQLKOYBUNZTTA-UHFFFAOYSA-N 283.331 2.877 0 1 CFAF C[C@]12CO[C@@]3(C(=O)NCCc4ccccc4)C[C@@H]1CC[C@]32C 169300826 BCICVXOJSZMETA-DSLXNQLJSA-N 299.414 2.941 0 1 CFAF O=C(O)/C(=C/c1ccc(O)cc1O)c1ccccc1 1857559998 YXWYVQODGUDVJV-MDWZMJQESA-N 256.257 2.723 0 1 CFAF c1ccc(O[C@@H]2C[C@@H]3CN(Cc4cnccn4)C[C@@H]3C2)cc1 1857610088 ZUFOHVQWIBUGDT-JLVBRIDZSA-N 295.386 2.766 0 1 CFAF Cc1sc2c(c1C)C(=O)N[C@H](c1cccc(O)c1)N2 174027 JDJIOGOQOSIXLO-LBPRGKRZSA-N 274.345 2.925 0 3 CFAF CC(C)CC(=O)C[C@@](C)(O)CCC(=O)c1ccoc1 1580404 SUMMQMXACBFGLA-HNNXBMFYSA-N 266.337 2.999 0 1 CFAF endogenous,in-man Clc1ccccc1Cn1cccc1C1=NCCO1 4970361 VRSSUOUNGOBIIW-UHFFFAOYSA-N 260.724 2.967 0 1 CFAF COc1ccc(OC)c(-c2nc3cc[nH]cc-3n2)c1 101336442 VSINEMMCHDMXIQ-UHFFFAOYSA-N 255.277 2.594 0 1 CFAF CCN(CC)C(=O)[C@@]1(c2cccc3ccccc23)C[C@H]1CN 28819404 HGJXFRXQJXYWOE-KXBFYZLASA-N 296.414 2.925 0 1 CFAF C[C@@H]1CC[C@@H]2[C@H](C=C[C@@H]3CO[C@](C)(O)C(=O)[C@]32C)C1 2356629771 PRGXUBLCBUSLOT-NQWMYEDTSA-N 264.365 2.539 0 1 CFAF COc1cc(O)cc2cc3c(c(O)c12)C(=O)C[C@H](C)[C@H]3O 2356646932 USXWNPRVDQRHME-NZFNHWASSA-N 288.299 2.516 0 1 CFAF CO[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](O)[C@H](C)[C@]12C 2356756470 IFAGLCHIPRNJAM-CKJIYCFSSA-N 278.348 2.885 0 1 CFAF CN1[C@H]2CC[C@@H]1C[C@@H](c1ccc(Cl)cc1)[C@@H]2C(=O)O 26661626 WBQWEXIOQUVCHG-RFGFWPKPSA-N 279.767 2.991 0 1 CFAF CN1C[C@@H](C(=O)c2ccccn2)[C@H](c2ccccc2)C1 36270605 ZYZPGKZYHIMRSG-LSDHHAIUSA-N 266.344 2.610 0 1 CFAF CCO[P@](=O)(O)c1ccc(C(F)(F)F)cc1 1911583267 RZHKQXBKUZNAHX-UHFFFAOYSA-N 254.144 2.553 0 1 CFAF CCCCC[C@H]1OC(=O)[C@H](C)C(=O)C[C@H]2CC[C@@H]1O2 199308990 CYCBXRCNOSGYGS-OXHZDVMGSA-N 268.353 2.635 0 1 CFAF CN1C=CN(COC2CCCCCC2)/C1=C/N=O 148204962 SEXRBMQJOVLAOR-JLHYYAGUSA-N 251.330 2.967 0 1 CFAF C[C@@H]1OC(=O)[C@@H]1NC(=O)OCCCCC1CCCCC1 148835143 QEPPAKHKNZHDCV-WCQYABFASA-N 283.368 2.777 0 1 CFAF Cc1ccc(C(=O)N[C@@H]2CCC[C@H]3CN(C)CC[C@H]32)cc1 253701587 XSTDZAMTGIEXQR-GVDBMIGSSA-N 286.419 2.845 0 1 CFAF CC(C)Oc1ccc2nc([C@@H](O)C3CCOCC3)[nH]c2c1 586912207 BFARMNYUKGTCCH-HNNXBMFYSA-N 290.363 2.810 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccnc(Cl)n1)O2 587379337 IAHFGZRATRWTAR-LBPRGKRZSA-N 289.722 2.727 0 1 CFAF O=C1CCC[C@@H](c2nc3cc4nc(O)[nH]c4cc3[nH]2)CC1 586888072 WFLBPRAKQSKRMA-MRVPVSSYSA-N 284.319 2.762 0 1 CFAF Cc1ccc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2n1 587021961 RRVKNCSNZBEIDU-UHFFFAOYSA-N 296.359 2.790 0 1 CFAF O=C(O)c1ccc2nc(CCc3cccc(O)c3)[nH]c2c1 586896720 VYNNKXMDHSGWMJ-UHFFFAOYSA-N 282.299 2.752 0 1 CFAF FC(F)=C(C[C@H]1CCCN1)c1nc2cnc(Cl)[nH]c-2n1 587088396 MOYAMTYYUKRVCM-ZCFIWIBFSA-N 299.712 2.708 0 1 CFAF Cc1cncc2nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c12 587043922 PAMGFFYAGLFBTG-UHFFFAOYSA-N 296.355 2.978 0 1 CFAF CCCc1c(O)ccc2c1O[C@](C)(COC)CC2=O 587483594 RNTOXDMGHSYAOD-HNNXBMFYSA-N 264.321 2.715 0 1 CFAF C[C@@H](F)[C@@H](N)c1nc2cccc(C(F)(F)F)c2[nH]1 587123966 LVXDUKPCYKIISA-SVGQVSJJSA-N 261.222 2.940 0 1 CFAF O=C(NCc1cccc(Cl)c1)c1cc2ccccn2n1 5007127 IRESNXGIMLWCEK-UHFFFAOYSA-N 285.734 2.918 0 1 CFAF C/C(=C/CC[C@H](C)CO)c1ccc(CO)cc1O 13377473 VTYGGZUALSUBPO-KQDRGBMMSA-N 250.338 2.696 0 1 CFAF CCCCSc1nsnc1O[C@@H]1CN2CCC1CC2 13777561 JLXUKRSLRGEIPY-LLVKDONJSA-N 299.465 2.903 0 1 CFAF CC1=NC(=O)N[C@H](c2ccsc2)[C@H]1C(=O)OCC(C)C 169688527 LOLZPZTZBQSRJW-NWDGAFQWSA-N 294.376 2.789 0 1 CFAF CC(=O)O/C=C(\C)[C@H]1CC[C@H](C)/C1=C\OC(C)=O 153694223 XWSAKQNRGFHFHM-MRSIZUTLSA-N 252.310 2.946 0 1 CFAF Oc1cccc2c1C[C@@H]1c3cc4c(cc3CCN1C2)OCO4 1857609192 AJIGSTIZSNHTOD-OAHLLOKOSA-N 295.338 2.776 0 1 CFAF COc1ccc([C@H](O)[C@H]2c3ccc(OC)cc3CN2C)cc1 2356402089 YFIREVBFRVUNCE-MSOLQXFVSA-N 299.370 2.924 0 1 CFAF C[C@H](C(=O)O)c1cc(C(=O)c2ccc(F)cc2)ccc1O 29398259 OGAVHGJFZVDKLN-VIFPVBQESA-N 288.274 2.950 0 1 CFAF CC(=O)O[C@@H]1C[C@H](C)[C@H]2[C@@H]1[C@@](C)(O)C[C@@H]1[C@@H](C(C)C)[C@H]21 2356689940 GHRGLJQMRODXCV-VSCRHVPYSA-N 280.408 2.863 0 1 CFAF CN1CCC[C@@H](COc2cc(-c3ccccc3)[nH]n2)C1 28010925 CNAXYDHQUIYMGF-CYBMUJFWSA-N 271.364 2.797 0 1 CFAF COc1cc2ncnc(Nc3cccc(N)c3)c2cc1OC 36430418 YBUOESDFBBILKU-UHFFFAOYSA-N 296.330 2.973 0 1 CFAF COc1ccc2c(c1)[C@@H](CNC(N)=O)Cc1ccccc1C2 219042509 DIXNMQKCFFPTKU-OAHLLOKOSA-N 296.370 2.594 0 1 CFAF in-vitro NC(=S)N1NC2=C(CCCC2)[C@H]1c1cccs1 45348248 SRESKHZWUZZRAG-NSHDSACASA-N 265.407 2.681 0 1 CFAF CN1C=CN(COC/C=C/c2ccccc2)/C1=C/N=O 136386452 LOCSPVYGOQOOIN-GPALGXLMSA-N 271.320 2.958 0 1 CFAF CCCCN1CCn2nc(-c3ccccc3)cc2C1=O 40846411 OVKIZRFFNPVKRC-UHFFFAOYSA-N 269.348 2.806 0 1 CFAF CC(=O)O[C@@H]1[C@H](C(C)C)CC[C@]2(C)[C@@H]1[C@@](C)(O)CC[C@H]2O 238739548 PGMDYJUEXIFZJG-MDOLAMBHSA-N 298.423 2.512 0 1 CFAF Cc1cc(N2CCN(c3cnccc3C3CC3)C2=O)ncn1 144377091 RPDOMVFKEROCNZ-UHFFFAOYSA-N 295.346 2.504 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cncc(F)c1)O2 587385243 BBAVWIDXISMFFZ-MRXNPFEDSA-N 286.306 2.992 0 1 CFAF C[C@H](F)[C@@H](N)c1nc2ccc(C(C)(C)C)nc2[nH]1 587123123 HWZGUUSBEQYPOP-OIBJUYFYSA-N 250.321 2.613 0 1 CFAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccnc(O)c3[nH]2)cc1 587934410 DLLHUSCAABONIO-XPTSAGLGSA-N 299.330 2.509 0 1 CFAF CC[C@H]1C[C@@]2(CCO1)CC(=O)c1cc(C)cc(N)c1O2 587411411 IWCJYKLSEHKSEP-ZBEGNZNMSA-N 275.348 2.870 0 1 CFAF CCn1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587432821 RMPCYGVRFSSBBD-SJKOYZFVSA-N 298.342 2.574 0 1 CFAF COc1cc(C)ccc1OCc1nc2ccnc(O)c2[nH]1 587564421 RAZVAKRWUWWRMU-UHFFFAOYSA-N 285.303 2.560 0 1 CFAF N=c1[nH]ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c12 587107013 GSRKROWOWZAZLY-UHFFFAOYSA-N 292.264 2.980 0 1 CFAF CC[C@]1(c2cnccn2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587436124 NNHZWLNCOWXGLV-PXAZEXFGSA-N 296.326 2.538 0 1 CFAF COc1cncc2nc(C3(c4ccccc4O)CC3)[nH]c12 586896687 IWXWGAXYRTXIKW-UHFFFAOYSA-N 281.315 2.752 0 1 CFAF Nc1c(F)cc(-c2nc3cc4c(cc3[nH]2)OCO4)cc1F 587135172 UVCQDOMHPGPVCV-UHFFFAOYSA-N 289.241 2.819 0 1 CFAF CCOC1=C[C@]2(CCC1)NCCc1c(C)ccnc12 963078781 ZEGXHXYQCBSSNM-INIZCTEOSA-N 258.365 2.835 0 1 CFAF NC(=O)N1CCc2sccc2[C@]12CC(=O)c1ccccc12 962701476 AWYUYGZRSDMYHT-MRXNPFEDSA-N 298.367 2.515 0 1 CFAF CC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H]2C(C)=NN=C2C[C@]1(C)O 4111575 ZNLUTICYKJBZGH-QZWWFDLISA-N 284.359 2.577 0 1 CFAF Cc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12 13553366 ZNRJXSHXWJKTGJ-UHFFFAOYSA-N 286.356 2.769 0 1 CFAF in-vivo Cc1c(C)c2c(c(C)c1N)C[C@@](C)(CSCCO)O2 13652093 ZBBGGQUUWKRTHG-HNNXBMFYSA-N 281.421 2.613 0 1 CFAF Cn1cc(Cl)c(/C=C2/C(=O)Nc3ccccc32)n1 13780178 CWXPHBALXZAFCS-RMKNXTFCSA-N 259.696 2.566 0 1 CFAF CCNC[C@H]1CCc2c(OC)ccc(Cl)c2C1=O 169319203 QPGBCMADEHRWHP-SECBINFHSA-N 267.756 2.703 0 1 CFAF NCCN[C@@H](c1ccccc1)[C@@H](O)c1ccc(Cl)cc1 169344990 YOEYAYDBJSWBSU-HOTGVXAUSA-N 290.794 2.663 0 1 CFAF O=C(NCc1ccc(F)cc1)c1ccc2snnc2c1 5152110 OVFBUFHSFLCHLJ-UHFFFAOYSA-N 287.319 2.760 0 1 CFAF c1ccc2oc(-c3ccc(CN4CCNCC4)cc3)nc2c1 1857568903 FGSZQZBWQWQPAO-UHFFFAOYSA-N 293.370 2.900 0 1 CFAF CN(C)c1ccccc1NC(=O)Nc1ccncc1 27994969 MNLXYROZCYFLAL-UHFFFAOYSA-N 256.309 2.792 0 1 CFAF Cc1nccc2[nH]c(=O)c(C(=O)N[C@H]3CCCC[C@@H]3C)cc12 3061724 YPZXQFUWGAEUMU-HZMBPMFUSA-N 299.374 2.540 0 3 CFAF COc1ccccc1Cc1nc2ccccc2[nH]c1=O 8609354 FXBKTHIASNACLB-UHFFFAOYSA-N 266.300 2.523 0 1 CFAF O=C(O)c1cc(C(=O)O)c2ccc(Cl)c(Cl)c2n1 26377626 BMTSMLLLURNHQR-UHFFFAOYSA-N 286.070 2.938 0 1 CFAF COc1cccc(N(CCNC(C)=O)c2ccccc2)c1 28864644 WKPZYSBUCLZSGQ-UHFFFAOYSA-N 284.359 2.969 0 1 CFAF CNCCc1c[nH]c(-c2cccc(C(F)(F)F)c2)n1 26576651 MYNBDDBMGFGOJU-UHFFFAOYSA-N 269.270 2.857 0 1 CFAF C=C(O[C@H]1C[C@H]2CC[C@@H]([C@@H]1C(=O)O)N2C)c1ccccc1 2356533583 KZFBHCCLJSAHBQ-UGUYLWEFSA-N 287.359 2.610 0 1 CFAF C[C@@H]1C[C@H](O)C=C(C(=O)O)CC[C@H]2[C@@H]1CC2(C)C 2356555360 RZADSQOICCRUDN-MGAJPHDKSA-N 252.354 2.841 0 1 CFAF CC1=C[C@H](O)[C@@H]2[C@@H](CC(C)=CCC1)OC(=O)[C@@H]2C 2356774531 AFDPKUTUPAAEAI-XJFOESAGSA-N 250.338 2.602 0 1 CFAF Cc1cccc(OCCN2CSC(=S)N(C)C2)c1 32307706 GGIWGCBBDSETJD-UHFFFAOYSA-N 282.434 2.554 0 3 CFAF C/C1=C/CC/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](O)C1 238779853 TXSIFZZILWRCIY-XBCODIQBSA-N 250.338 2.602 0 1 CFAF COC1=C[C@@H](O)C=C[C@H]1CCCc1ccc(O)cc1 238786128 TZHCDEGPZOHNRO-HIFRSBDPSA-N 260.333 2.792 0 1 CFAF COC(=O)c1ccc(-c2cc(=O)c3c(O)cccc3o2)cc1 96922787 ZOHZBUVPIAUNKZ-UHFFFAOYSA-N 296.278 2.952 0 1 CFAF O=C(O)c1nccc(-c2cccc(C(F)(F)F)c2)n1 607710942 MFUKWXCUNTUMRD-UHFFFAOYSA-N 268.194 2.861 0 1 CFAF C[C@H]1CCC[C@@H](C)N1C(=O)[C@@]1(c2ccccc2)C[C@H]1CN 299815934 LLMMBFHXEMHNDE-JSSFPYSZSA-N 286.419 2.693 0 1 CFAF O=C1COc2ccccc2[C@@H]2CC(c3ccccc3)=NN12 653687663 TUJYTEWDFVGQRG-HNNXBMFYSA-N 278.311 2.757 0 1 CFAF COc1cccc(Cc2nc3ccc(CO)cc3[nH]2)c1 587931362 OHXGEJIYVBJNEB-UHFFFAOYSA-N 268.316 2.655 0 1 CFAF CCOc1n[nH]c(-c2nc3ccc(C)nc3[nH]2)c1Cl 587065178 MBOQWCLEBGKFTL-UHFFFAOYSA-N 277.715 2.709 0 1 CFAF CCN[C@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1 169321549 NPDQNVNCZCPYGF-LRDDRELGSA-N 269.392 2.839 0 1 CFAF CC(C)C(NC(=O)OCCCc1c[nH]cn1)C(C)C 13490985 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CVOXUDKZRLNGNO-UHFFFAOYSA-N 267.421 2.734 0 1 CFAF O=c1c(O)c(-c2ccc(F)cc2)oc2cc(O)cc(O)c12 27867694 ARXMHGNBODSKBL-UHFFFAOYSA-N 288.230 2.716 0 1 CFAF C[n+]1ccc2c(c1)[nH]c1ccc(Br)cc12 45337349 YJGCPECYFYQVAQ-UHFFFAOYSA-O 262.130 2.908 0 1 CFAF CCCCCC[C@@H]([C@H](C)O)n1cnc(C(=O)NCCC)c1 40504903 YJOXAZJKIQBRBW-ZFWWWQNUSA-N 295.427 2.915 0 1 CFAF C[Si](C)(C)CC[C@](O)(Cn1cncn1)c1ccccc1 195851399 VVEVJYIJQPKLOG-HNNXBMFYSA-N 289.455 2.894 0 1 CFAF COc1cc2c(cc1OC)C(C(=O)c1ccccc1)=NCC2 45230680 RCIXRVNGZVWAJB-UHFFFAOYSA-N 295.338 2.932 0 1 CFAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1cc3ccccc3[nH]1)O2 84601938 KOKBPPDCKPRXAM-MPTQWLOMSA-N 285.343 2.992 0 1 CFAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2c(F)cnc(Cl)c2[nH]1 587961475 GDZBSFOHFXCABN-NKWVEPMBSA-N 281.718 2.908 0 1 CFAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ncc[nH]c-2n1 587927810 UVSUDGZRFVEIHP-NSHDSACASA-N 298.346 2.864 0 1 CFAF c1ccc2oc(CCc3nc4ncc[nH]c-4n3)cc2c1 586908586 SDKPBGXSLVSCOB-UHFFFAOYSA-N 264.288 2.836 0 1 CFAF CC[C@@]1([C@H]2CCOC2)CC(=O)c2cc(C)cc(N)c2O1 587411345 IMAQTZUDIAAJIX-ZBEGNZNMSA-N 275.348 2.728 0 1 CFAF N[C@@H](Cc1c(-c2ccccc2)[nH]c2cccc(F)c12)C(=O)O 587636353 XQKIUOFAKWMTGV-ZDUSSCGKSA-N 298.317 2.928 0 1 CFAF COc1cc2c3c(c1)O[C@@H](C[C@@H](C)SC)[C@@H](C2)C3=O 587448709 MCUOSFGNIMLAHZ-FXAINCCUSA-N 278.373 2.953 0 1 CFAF O=C(O)c1cccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c12 586904876 WDHHBJSIKHWPAH-OCCSQVGLSA-N 294.310 2.830 0 1 CFAF COc1cc(C)c(N)c(-c2nc3cccnc3[nH]2)c1 587249195 KFGIGYGPVBSGCO-UHFFFAOYSA-N 254.293 2.524 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccc(C=O)o1)[C@@H](C2)C3=O 587452642 GGQJPHNYBVEYRA-ZBEGNZNMSA-N 284.267 2.589 0 1 CFAF C[C@@]1(CN=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569607 GVAKGUQCIGQURT-CJNGLKHVSA-N 299.282 2.879 0 1 CFAF OCCc1ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2c1 586903919 RCXGTEIWAVSDHW-PBHICJAKSA-N 294.354 2.667 0 1 CFAF COc1ccc2nc([C@H](O)c3ccccc3Cl)[nH]c2n1 587059281 NNXGXXOJUQMQMJ-GFCCVEGCSA-N 289.722 2.702 0 1 CFAF COc1cc(OC)c(C=Cc2ccncn2)c(OC)c1 1857626323 FLTRLCHUNMAMQO-UHFFFAOYSA-N 272.304 2.673 0 1 CFAF Cc1c(Cl)sc2cc(C(=O)N3CCN(C)CC3)[nH]c12 13678204 FHTHHGGIWNDYIW-UHFFFAOYSA-N 297.811 2.579 0 1 CFAF COc1cc2c(cc1O)CN(Cc1ccc(O)cc1)CC2 14695658 OTORZSAUEXIDQF-UHFFFAOYSA-N 285.343 2.665 0 1 CFAF CCC[C@H](O)C[C@@H]1CCC[C@H](C[C@@H](O)CCC)N1C 14860191 BEHRYCYNRCQBOK-FZKCQIBNSA-N 271.445 2.942 0 1 CFAF c1ccc2c(c1)nc(CN1CCCC1)n2CC1CCNCC1 200515325 WWGOAWRROQTZNT-UHFFFAOYSA-N 298.434 2.632 0 1 CFAF COc1cc(C[C@H](C)N)c(OC)cc1CC(C)C 27748116 ZLESHKOTWSWEGW-NSHDSACASA-N 251.370 2.792 0 1 CFAF Oc1ccc2c(c1)[C@@]1(c3ccccc3)CCN[C@@H](C2)C1 118521584 JGOAQGNAVLLVSL-YJBOKZPZSA-N 265.356 2.986 0 1 CFAF Cc1cccc(NC(=O)CSc2nnc(C)c(C)n2)c1 412780 BAUOYSQOXTVSFW-UHFFFAOYSA-N 288.376 2.528 0 3 CFAF COc1ccc(Nc2cnc3cc(N)ccc3n2)cc1OC 1633571 UJPOBDQUXIYGCC-UHFFFAOYSA-N 296.330 2.973 0 1 CFAF CC(=O)N1O[C@H](C)C[C@H]1Nc1ccc(Br)cc1 1636391 VMOBFJZZRBPCOR-PELKAZGASA-N 299.168 2.759 0 1 CFAF C[C@H]1CC(C)(C)C[C@](O)(c2nnc(-c3cccnc3)[nH]2)C1 103176417 KACBNLYQQHALQP-ZBEGNZNMSA-N 286.379 2.901 0 1 CFAF CC1(C)CCC[C@@]2(C)[C@H]1C[C@H](O)[C@@]1(C)OC(=O)C[C@H]21 28571186 XUFAHPAHNJCLLZ-WYEAJDFLSA-N 266.381 2.905 0 1 CFAF CNc1ncnc(NCCc2ccccc2)c1N=O 73141268 AAWDWRBHHIKOQD-UHFFFAOYSA-N 257.297 2.571 0 1 CFAF Brc1ccccc1[C@@H]1Cc2nnccc2CN1 199734781 WPVXRFDVHBOSCJ-ZDUSSCGKSA-N 290.164 2.626 0 3 CFAF CCCC(=O)Nc1n[nH]c2cc(-c3ccc(N)nc3)ccc12 49089289 FWXLCRLIWRFADL-UHFFFAOYSA-N 295.346 2.946 0 1 CFAF Fc1ccccc1CSc1nnc(-c2cnccn2)o1 95574405 XINCDZBTIIXNIT-UHFFFAOYSA-N 288.307 2.958 0 1 CFAF CO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1ccc(C)cc1 617968737 PIBAKLLGCXYTMO-KLDSGFLGSA-N 276.361 2.801 0 1 CFAF COc1cc2c3c(c1)O[C@@H]([C@H]1CCC(C)(C)O1)[C@@H](C2)C3=O 587456218 TWBUMDKNAVPNPU-HWWQOWPSSA-N 288.343 2.769 0 1 CFAF Cc1ccc(C)c2[nH]c([C@@H](O)C3CCOCC3)nc12 586914238 XXCNXRMAQXZKBW-AWEZNQCLSA-N 260.337 2.640 0 1 CFAF CSc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587562739 JSUYUJDBCSNZBG-UHFFFAOYSA-N 285.328 2.825 0 1 CFAF COc1cc2c3c(c1)O[C@]1(CSC[C@H]1C)[C@@H](C2)C3=O 587452901 OEQIZXGMQSPRGF-SXKNGAHQSA-N 276.357 2.564 0 1 CFAF CCOCc1ccc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)o1 586903390 PGPHGTHWIIHPOQ-UHFFFAOYSA-N 298.302 2.941 0 1 CFAF N[C@@H](N=O)c1cccc(Cn2cnc(Cl)c2Cl)c1 957584898 FARVYCMZRJBOML-NSHDSACASA-N 285.134 2.962 0 1 CFAF NC(=O)N1CCc2sccc2[C@H]1C[C@H]1CCCOC1 962701699 BYLYFBDZVSIQJQ-ZYHUDNBSSA-N 280.393 2.543 0 1 CFAF C[C@@]1(c2c[nH]c3ncccc23)NCCc2ccc(O)cc21 963342665 RHXFJWXXUMWHPN-QGZVFWFLSA-N 279.343 2.678 0 1 CFAF CC1(C)CC=CCC[C@H](O)[C@@H](O)CCC(C)(C)C1=O 254136823 BEWPNOHISJLCQR-STQMWFEESA-N 268.397 2.850 0 1 CFAF COC(=O)CCc1nccc2c1[nH]c1ccc(O)cc12 13383330 LQPSCOXPIPTZBH-UHFFFAOYSA-N 270.288 2.527 0 1 CFAF CCCCc1n[nH]c2c1C(=O)c1c(NC(C)=O)cccc1-2 13492171 KMNBPAISTOLCLZ-UHFFFAOYSA-N 283.331 2.922 0 1 CFAF C[C@@H](Oc1ccccc1-c1cccc(O)c1)C1=NCCN1 13585582 XGMNRALXOWECNG-GFCCVEGCSA-N 282.343 2.828 0 1 CFAF CCc1c[n+]2c(cc1C(=O)O)-c1[nH]c3ccccc3c1CC2 15216588 CZBXROWRBACCHV-UHFFFAOYSA-O 293.346 2.939 0 1 CFAF O=C(c1cnc2ccccc2n1)n1cc2ccccc2n1 169333038 LFBXXKVFQWAXSJ-UHFFFAOYSA-N 274.283 2.668 0 1 CFAF CN(C)Cc1ccccc1-c1nccc(NC2CC2)n1 4268155 DGGWJGZGBMJQON-UHFFFAOYSA-N 268.364 2.780 0 1 CFAF C[C@@H]1CC(=O)[C@@H]2[C@H](C=C[C@@]3(C)OCCC(=O)[C@]23C)C1 2356398954 ITWYWAQNTCPFOM-GRIRQICOSA-N 262.349 2.542 0 1 CFAF CN1C(=O)/C(=C(/O)Nc2ccccc2)c2ccccc2C1=O 100790377 QKBNOICRNGAAPD-CCEZHUSRSA-N 294.310 2.638 0 1 CFAF O=C1CS/C(=C/c2nc3c(s2)Cc2ccccc2-3)N1 103234218 RUIMOGOCOHMSMV-WUXMJOGZSA-N 286.381 2.876 0 1 CFAF COc1ccc(Nc2nnc(-c3nc[nH]c3C)s2)cc1 64490544 ISTVATWDVXOHNO-UHFFFAOYSA-N 287.348 2.989 0 1 CFAF O=c1o[nH]c(-c2ccccc2)c1C1=NCCCCC1 104267488 YKHGGZBEURSGLY-UHFFFAOYSA-N 256.305 2.998 0 3 CFAF NN(CCOc1ccc(F)cc1)c1nc2ccccc2o1 29463505 GMCWIBURJSIGOX-UHFFFAOYSA-N 287.294 2.726 0 1 CFAF CN(C)CC[C@H](c1ccc2cc(F)ccc2c1)n1ncnn1 64361660 IYTKIEQZFQYQAC-MRXNPFEDSA-N 299.353 2.507 0 1 CFAF COc1cc(C2(C(F)(F)F)N=N2)ccc1/C=C/C(=O)O 26500527 GNFQAOQHHFNCFQ-HWKANZROSA-N 286.209 2.974 0 1 CFAF COc1ccc(C(C)=O)c(O)c1C/C=C(\C)CCC(=O)O 27629014 XRQADDIEKPCGSN-ONNFQVAWSA-N 292.331 2.957 0 1 CFAF COc1cccc2c1O[C@H]1CCC[C@H]3CN(C)CC[C@]213 38285630 JVIMGZUQAPMHLS-NUTKFTJISA-N 273.376 2.830 0 1 CFAF Cn1c(C(=O)Nc2cccnc2)cc2sccc21 40786235 GCJLIBXWJKDVRL-UHFFFAOYSA-N 257.318 2.887 0 1 CFAF Cc1nc2sccn2c1C(=O)NCc1ccccc1 653813214 YAQXVWDTHJYPNE-UHFFFAOYSA-N 271.345 2.634 0 1 CFAF Cc1ccnc2[nH]c(-c3ccc4c(c3)NC(=O)CS4)nc12 587044215 RXRTWLVGSSQYIK-UHFFFAOYSA-N 296.355 2.978 0 1 CFAF N[C@@H](c1ccsc1)c1nc2ccc(F)c(F)c2[nH]1 587025439 MBPAVSPCZXIXOT-JTQLQIEISA-N 265.288 2.951 0 1 CFAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(F)c(F)cc2[nH]1 587963526 OACNYUHKQQUMKN-HTQZYQBOSA-N 264.275 2.999 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](c1cccnn1)CC2=O 587487254 WFFAQAJWRSEIEU-HNNXBMFYSA-N 284.315 2.841 0 1 CFAF CC[C@]1([C@H](C)CN(C)C)CC(=O)c2cc(C)cc(N)c2O1 587384914 ACBOCYHNLSVNGC-SJKOYZFVSA-N 290.407 2.889 0 1 CFAF O=C1CCc2cc3nc(-c4cnc(Cl)nc4)[nH]c3cc2N1 587085357 UQHUJUSUWNIEEF-UHFFFAOYSA-N 299.721 2.558 0 1 CFAF COC(=O)C[C@H](C)Cc1nc2cc(OC)c(C)cc2[nH]1 587785126 LZPJXWBYEWNXBI-SECBINFHSA-N 276.336 2.622 0 1 CFAF COc1ccc2nc(-c3cc(=N)[nH]c4ccccc34)[nH]c2n1 587254464 UPLHEBHTLBOKSL-UHFFFAOYSA-N 291.314 2.594 0 1 CFAF N=c1[nH]ccc2nc(CCc3ccccc3Cl)[nH]c12 587058865 KBXMDXRXHGKRAH-UHFFFAOYSA-N 272.739 2.809 0 1 CFAF CN(C)C(=O)Cc1nc2ccc(Oc3ccccc3)cc2[nH]1 587197016 GNUBZBUEWVAOMJ-UHFFFAOYSA-N 295.342 2.986 0 1 CFAF CCc1ccc(C(=O)CCc2nc3cc(=N)[nH]cc3[nH]2)cc1 587956744 LHBQNNVMXWDUNO-UHFFFAOYSA-N 294.358 2.748 0 1 CFAF COc1ccc([C@]2(C)NCCc3c(C)ccnc32)cc1F 963078155 XLPBZELQIKELEQ-KRWDZBQOSA-N 286.350 2.947 0 1 CFAF Cn1cnc2cc([C@@H]3NCCc4ccc(O)cc43)ccc21 963339776 BSWKTKURBYQKCQ-KRWDZBQOSA-N 279.343 2.514 0 1 CFAF COc1c(O)c(C(C)=O)c2c(c1OC)C=CC(C)(C)O2 13307149 FHILIKPOVHIKCB-UHFFFAOYSA-N 278.304 2.796 0 1 CFAF Cc1c(Cl)cc2nc(N3CCN(C)CC3)oc2c1C 13780592 VOQCLTDJTFUVOU-UHFFFAOYSA-N 279.771 2.850 0 1 CFAF CCOc1ccc2cccc(CCNC(C)=O)c2c1 13781771 BCGDPNIAQGAMSI-UHFFFAOYSA-N 257.333 2.917 0 1 CFAF CC1=C(C(=O)N2CCCCCC2)C2(CCCCC2)OC1=O 6772455 LAIAGOGUGAHEMS-UHFFFAOYSA-N 291.391 2.965 0 1 CFAF OCC[C@@]12N[C@H](Cc3ccccc31)[C@H]1CCCC[C@@H]12 100659858 NDYRQXAREGWAOX-QMCVQRASSA-N 257.377 2.599 0 1 CFAF C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4NC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 26394945 SXIPXKUAHBNRLJ-XSMFFPSTSA-N 291.435 2.869 0 1 CFAF CNC(=O)[C@@H](OC)c1cccc(Oc2ccccc2)c1 103198325 XXTBXXOKQBLXIA-HNNXBMFYSA-N 271.316 2.912 0 1 CFAF O=C(O[C@H]1CN2CCC1CC2)n1ccc2ccccc21 26953925 ATJCEXDPRCAAOP-HNNXBMFYSA-N 270.332 2.720 0 1 CFAF COc1ccc(-c2cn(-c3ccc(OC)cc3)nn2)cc1 28567545 ADOOFUVEQCCEJM-UHFFFAOYSA-N 281.315 2.952 0 1 CFAF c1cc(-c2cn[nH]c2)c2c(c1)[C@H](c1ncc[nH]1)CC2 29048250 ZXQIPWRUBBPGML-CQSZACIVSA-N 250.305 2.878 0 1 CFAF COC(=O)[C@H](C)CCC[C@](C)(O)[C@@H]1CC[C@@](C)(O)[C@@H]1C 2356793991 HRHABFVVFDETJB-DFMBRWPFSA-N 286.412 2.514 0 1 CFAF CCCCOC(=O)c1cc(OC)c(C[C@H](C)N)cc1OC 25981393 DHCQOPOFDPDJGB-NSHDSACASA-N 295.379 2.550 0 1 CFAF COc1ccc(Nc2nc(N)c(C(C)=O)s2)cc1OC 32947911 VBPAKWQCRXYHOU-UHFFFAOYSA-N 293.348 2.689 0 1 CFAF CC1=CC=CC2=NC[C@@H](C(=O)c3ccc(F)cc3)CN12 43059869 HPQVAIYLHCIDII-CYBMUJFWSA-N 270.307 2.812 0 1 CFAF CC[C@@]12CC[C@H]3[C@H](C)CC[C@@H]4CC(=O)O[C@@H](O1)[C@]34O2 195241161 QNOOEARUAZQAMK-YJBMVLHGSA-N 266.337 2.607 0 1 CFAF C[Si](C)(C)C[C@](O)(Cn1nccn1)c1ccc(F)cc1 195955563 AGLZCGVFHDFKMZ-CQSZACIVSA-N 293.418 2.643 0 1 CFAF CN(C)[C@@H]1CCc2c(c3ccccc3n2CCC(=O)O)C1 148526542 LUZOFXNKDSLQFI-GFCCVEGCSA-N 286.375 2.535 0 1 CFAF CCC(CC)n1ncc2c(=O)[nH]c(C[C@@H]3C=CCC3)nc21 146363437 KJPOHYCINXMVCC-LLVKDONJSA-N 286.379 2.989 0 1 CFAF COc1ccc2c3ccnc4c3n(c2c1)C(=O)CC4 238758310 HDYNDVCZJZFFHK-UHFFFAOYSA-N 252.273 2.785 0 1 CFAF CC(C)c1ccc(/C=C/C(=O)NC2=NC(=O)CS2)cc1 95755591 YEPOZYOZNJRFOM-VMPITWQZSA-N 288.372 2.569 0 1 CFAF CCCCN1CCN2CCc3ccc(F)cc3[C@H]2C1 253678014 LAMZGXFMXSMWDN-MRXNPFEDSA-N 262.372 2.841 0 1 CFAF NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1 263620228 ADYDYORVGGQJTJ-UHFFFAOYSA-N 279.343 2.855 0 1 CFAF in-vitro Nc1ccccc1-c1ccn([C@H]2CCCC[C@@H]2O)c(=O)c1 653703219 SYFJHCHPCRZIIJ-HOTGVXAUSA-N 284.359 2.574 0 1 CFAF Nc1ccc(F)c(Cc2nc3cc4c(cc3[nH]2)OCO4)c1 587142388 XZHSSNXSBCAVGP-UHFFFAOYSA-N 285.278 2.604 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1cncs1)[C@@H](C2)C3=O 587449919 CMISGFFDGNHSMQ-BONVTDFDSA-N 287.340 2.815 0 1 CFAF Cc1cccc(OCc2nc3ccnc(O)c3[nH]2)c1C 587564483 UBWQUFXODZNRMY-UHFFFAOYSA-N 269.304 2.859 0 1 CFAF COc1ccoc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587403829 LWGQMWCDPQTGDK-ZDUSSCGKSA-N 273.288 2.885 0 1 CFAF CC(C)C[C@H](O)c1nc2ccnc(Br)c2[nH]1 586901031 MRYOBTXOFVNKJM-QMMMGPOBSA-N 284.157 2.800 0 1 CFAF Cc1cc2nc(C[C@@H](C)O)[nH]c2cc1Br 586892613 UPYRFBUUMIBVRF-SSDOTTSWSA-N 269.142 2.557 0 1 CFAF C[C@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)N(C)C 587192141 ROVXNADOJLXOOZ-SSDOTTSWSA-N 255.724 2.848 0 1 CFAF C=C1N=C2Nc3ccccc3N2C(C)=C1CCC(=O)O 958003415 KIXMJDYSGOGJQT-UHFFFAOYSA-N 269.304 2.941 0 1 CFAF O=C(COC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2)Nc1ccccc1F 5415966 GZMPFMLWRQFUSU-GRYCIOLGSA-N 289.306 2.520 0 1 CFAF O=c1c2c([nH]c3cc4c(cc13)OCO4)-c1ccccc1C2 5593813 BLHRMMKOUNPFQL-UHFFFAOYSA-N 277.279 2.828 0 1 CFAF COc1cc(O)cc(CCc2cc(O)ccc2OC)c1 13340222 UNLHEGHHONENQV-UHFFFAOYSA-N 274.316 2.900 0 1 CFAF biogenic,in-vitro COc1cccc2c1C[C@H]1OC(=O)c3cc4c(c-2c31)OCO4 13372687 BWFZXHYFCWWTPF-GFCCVEGCSA-N 296.278 2.859 0 1 CFAF CCCCc1ccc(COc2nc(N)nc3[nH]cnc23)cc1 13600878 HJBCHEKAODJADX-UHFFFAOYSA-N 297.362 2.857 0 1 CFAF CNC(=O)N(O)[C@@H](C)c1cc2ccccc2s1 13762805 MOWYMDVLTLHNSE-QMMMGPOBSA-N 250.323 2.993 0 1 CFAF CC1=[N+]([O-])C2(CCCCC2)[N+]([O-])=C1c1ccccc1 19331613 ZWTKKZYMJGZTOR-UHFFFAOYSA-N 258.321 2.631 0 1 CFAF CCOc1cc(CCN)cc(SC)c1OCC 27301229 WEGXTQPSIDDJRM-UHFFFAOYSA-N 255.383 2.707 0 1 CFAF CC[C@H](c1ccc(O)cc1)[C@@H](C(N)=O)c1ccc(O)cc1 28757825 IISOBSQJJZEOPF-CVEARBPZSA-N 285.343 2.861 0 1 CFAF Cc1cc(Nc2ccc(F)cc2C)n2nc(C)nc2n1 4923083 KXSFBHASQXFUMB-UHFFFAOYSA-N 271.299 2.932 0 3 CFAF Cc1cc2nc(S(=O)(=O)CC(F)(F)F)[nH]c2cc1C 27844994 IWWSFFCLHZNLMU-UHFFFAOYSA-N 292.282 2.516 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)C[C@@H]2CC[C@@H]1N2C 100309108 MMKZDDDDODERSJ-XUWVNRHRSA-N 273.376 2.734 0 1 CFAF C/C=C(\NC(=O)C[C@H](C)CCCC(C)C)C(=O)O 26027086 JPKDLNFQMODFHC-XYHYMSPGSA-N 255.358 2.944 0 1 CFAF C[C@@H]1C(=O)OC2=C1[C@H](O)[C@]1(C)[C@@H](C)CCC[C@H]1C2 2356559039 VMUFDWQSKQTRRF-VKZZYBESSA-N 250.338 2.641 0 1 CFAF COC(=O)C1=C2[C@@](C)(C(N)=O)CCC[C@]2(C)c2ccccc21 2356723494 KYJCGCPXRNIZAE-MSOLQXFVSA-N 299.370 2.560 0 1 CFAF COc1c(O)cc2c3c1-c1ccc(O)cc1C[C@H]3NCC2 2356756579 QAAIWYNFNWDEAF-CYBMUJFWSA-N 283.327 2.516 0 1 CFAF COc1cc(CC/C=C/C(=O)N2CCCCC2)ccc1O 35964073 VHTQQWCWSZHGTL-XBXARRHUSA-N 289.375 2.902 0 1 CFAF Cc1c(C(=O)c2ccccc2)nc(SC(C)C)[nH]c1=O 40754059 RAHCCRIAROVFKB-UHFFFAOYSA-N 288.372 2.810 0 1 CFAF NC(=O)[C@@H]1CC[C@H](c2cccc(Oc3ccccc3)c2)N1 1911585394 JYTPFHGJJBTIJW-CVEARBPZSA-N 282.343 2.757 0 1 CFAF COc1ccc([C@@H]2C[C@H](O)[C@H](CC(C)C)CN2)cc1OC 40829073 GWFDJRQWEMAOSK-ILXRZTDVSA-N 293.407 2.761 0 1 CFAF O=C(NCCC1=CCCCC1)[C@H]1[C@@H]2C=C[C@H](C2)[C@H]1C(=O)O 195462971 MFNHOXMUXZEVAG-APIJFGDWSA-N 289.375 2.516 0 1 CFAF Cc1cccc(N2C(=O)CS[C@H]2c2ccccn2)n1 95564432 ROCLKIQUIFRZTB-AWEZNQCLSA-N 271.345 2.564 0 1 CFAF COc1ccc2c(c1)O[C@@H]1c3ccc(O)cc3OC(=O)[C@H]21 238757519 ZVPPEISOWXTPEL-HUUCEWRRSA-N 284.267 2.537 0 1 CFAF COC(=O)[C@@H]1[C@H](c2ccc(F)c(C)c2)C[C@H]2CC[C@H]1N2C 261123512 JWQGRCSMNJKNOQ-OCVGTWLNSA-N 291.366 2.873 0 1 CFAF C[C@H](O)c1ncc(-c2nc3cccc(F)c3[nH]2)s1 587020830 BPSSCMMUIXQSHW-LURJTMIESA-N 263.297 2.879 0 1 CFAF OCCc1ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2c1 586903927 RCXGTEIWAVSDHW-YOEHRIQHSA-N 294.354 2.667 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nc(C)co1)O2 587393817 NDWUWGNXQNWCKF-OAHLLOKOSA-N 272.304 2.754 0 1 CFAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cnccc2[nH]1 587087722 FTHVFCNESYXGAM-QMMMGPOBSA-N 264.279 2.708 0 1 CFAF C[C@H]1CCO[C@H](c2nc3cc4c(cc3[nH]2)OCO4)C1 586917453 QLMFWNAHFSSRLO-SDBXPKJASA-N 260.293 2.779 0 1 CFAF CC(C)C[C@H]1CCCc2nc3nc(O)nc(O)c3cc21 587561548 JLFGYEZRLGURSA-SECBINFHSA-N 273.336 2.902 0 1 CFAF CC1=CC[C@@H]2[C@@H](O[C@H](c3ccc(F)cc3)C[C@@]2(C)O)[C@@H]1O 1772626564 MUKPLLCMUIHJQJ-ZHCJQAHYSA-N 292.350 2.734 0 1 CFAF CCOC(=O)c1c(-c2ccccc2)nc2c(OC)nccn12 13215695 UMVSNCJSEKJWAG-UHFFFAOYSA-N 297.314 2.582 0 1 CFAF CCC(=O)OCCCN1CCC2(CCCCC2)C1=O 205708718 ADANSYFDCLHJPX-UHFFFAOYSA-N 267.369 2.513 0 3 CFAF COC(=O)c1cc(OC)nc2ccc(Br)cc12 75705 STGDNDNYZYPKNQ-UHFFFAOYSA-N 296.120 2.793 0 3 CFAF O=C(O)[C@@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)NCCC1=CCCCC1 1002683 BJWCSXUZTHCWID-LXTVHRRPSA-N 291.391 2.740 0 1 CFAF CO[C@H]1C(=O)N(SC)[C@H]1c1ccccc1Cl 1663371 DOFBRCXRLYRBHR-VHSXEESVSA-N 257.742 2.516 0 1 CFAF COc1ccc2c(c1)[C@]13CCN(C)[C@@H](C2)[C@H]1C[C@@H](C)C(=O)C3 101192873 ZLXURWCZUPCRCD-LCXNZCCVSA-N 299.414 2.808 0 1 CFAF CC(C)n1nc(-c2ccc(O)c(F)c2)c2c(N)ncnc21 8581950 VBUMOGXFBGYXDV-UHFFFAOYSA-N 287.298 2.501 0 1 CFAF CC1(C)C(=O)Nc2cc3[nH]c(-c4ccnnc4)cc3cc21 29308720 ASMATTXMUSKVHB-UHFFFAOYSA-N 278.315 2.855 0 1 CFAF CO/C(O)=C1\C(C)=NC(C)=C([N+](=O)[O-])[C@@H]1c1cccnc1 27559330 AUIZEGZTKOEYTR-SLQMCABGSA-N 289.291 2.564 0 1 CFAF Cc1nc2c(OCc3ccccc3)cccn2c1NC=O 26171321 OEKOQXWXASNJEF-UHFFFAOYSA-N 281.315 2.790 0 1 CFAF COc1cccc(N(C)c2nc(C)nc3c2C[C@H](C)N3)c1 64448710 OHQVJWITMPPVNB-JTQLQIEISA-N 284.363 2.918 0 1 CFAF COC(=O)C(=N)/C=C(\O)c1ccc(Br)cc1 28260979 RFPMJCPXWMIUDJ-VMGPJTKCSA-N 284.109 2.541 0 1 CFAF Cc1ccc(C)n1Nc1ccc(N2CCCCC2)nn1 26020981 OKISCGTWKGLPQX-UHFFFAOYSA-N 271.368 2.760 0 1 CFAF CCC(=O)NCC(C)(C)c1cn(C)c2ccc(OC)cc12 36188160 QBJWGJIESUDHDM-UHFFFAOYSA-N 288.391 2.991 0 1 CFAF c1ccc([C@@H]2CN3CCNC[C@@H]3c3ccccc32)cc1 36288964 IVDVHWNKPARSHK-ZWKOTPCHSA-N 264.372 2.778 0 1 CFAF CC1(C)CN2CCNCc3ccc(Br)c1c32 1911572529 BOWKYNAGSRTBAU-UHFFFAOYSA-N 281.197 2.650 0 1 CFAF CC(=O)Nc1nc(N)c2c(ccc3c2ccn3CC(C)C)n1 45201445 DFFBUXSQJJSDNL-UHFFFAOYSA-N 297.362 2.781 0 1 CFAF COc1cc(C=O)c(-c2ccccc2)c2c1OCO2 40915584 HMBQBNYBVPPXHU-UHFFFAOYSA-N 256.257 2.903 0 1 CFAF CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccc(F)cc1 617965965 WHZPBCAPFJVCEJ-JPQYHBGPSA-N 280.324 2.632 0 1 CFAF CNC(=O)CNc1ccccc1Nc1ccccc1 621430394 UBUFYKQKSFZIDD-UHFFFAOYSA-N 255.321 2.588 0 1 CFAF O=c1cc(CCc2cccc(O)c2)oc2cc(O)ccc12 474609109 OFODUCQQAZOQAX-UHFFFAOYSA-N 282.295 2.989 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cc(F)ccn1)[C@@H](C2)C3=O 587429489 VCYXVOFTZOSLTH-MEDUHNTESA-N 285.274 2.718 0 1 CFAF COC(=O)CC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521784 CLHYBQWBPFFOTD-GFCCVEGCSA-N 288.343 2.852 0 1 CFAF Fc1ccc2c(c1)-c1cc(n(Cc3cncnc3)n1)O2 587875979 WYXFIOGNZAWIPK-UHFFFAOYSA-N 268.251 2.633 0 1 CFAF COc1cc2[nH]c(/C=C/C=C/C(=O)O)nc2cc1Cl 587964874 DNEBHFGJYWEKFH-ZUVMSYQZSA-N 278.695 2.879 0 1 CFAF O=C(O)c1ccc2nc(-c3cc(CO)ccc3F)[nH]c2c1 587141077 WTEWUIHVKLEPMS-UHFFFAOYSA-N 286.262 2.560 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1OCCC1(C)C)O2 587412802 PBXGRXDIKWQNGT-UKRRQHHQSA-N 275.348 2.726 0 1 CFAF C[S@](=O)c1cc(-c2ccccn2)nc(-c2ccccn2)c1 35654116 NQMQQUHLUAZXBE-OAQYLSRUSA-N 295.367 2.943 0 1 CFAF CCCCCCN1C(=O)c2cc(OC)cc(OC)c2C1=O 1772638219 NCHSWJFGZSZBHB-UHFFFAOYSA-N 291.347 2.880 0 1 CFAF C[C@H]1CCC[C@H](C)N1C[C@@H](O)COCc1ccccc1F 12540816 AXBWTBDQEIFRII-OFQRWUPVSA-N 295.398 2.966 0 1 CFAF NC(=O)N(O)CC1=Cc2cc(-c3ccccc3)ccc2OC1 13833882 OXCDKLHAYPVXFO-UHFFFAOYSA-N 296.326 2.899 0 1 CFAF COc1ccc(-c2oc3cc(O)ccc3c(=O)c2O)cc1 14807434 IYFVCSURXCCUSJ-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1O 4960487 KMTCRDRWKJLWTR-ABAIWWIYSA-N 253.301 2.895 0 3 CFAF CC(C)Cn1cnc2cc3c(cc21)[C@@H]1CNC[C@@H]3C1 101030727 KTCKWEYGXKJYMD-RYUDHWBXSA-N 255.365 2.866 0 1 CFAF O=C(/C=C/c1ccc(O)cc1)Oc1ccc(O)cc1 59588181 HBTCONOQWCUFLS-XCVCLJGOSA-N 256.257 2.717 0 1 CFAF biogenic,in-vitro Cc1cc(C(=O)NC2C[C@H]3CC[C@H](C2)N3C)n2ccccc12 100807091 SWYJVHXAAFJQBU-HUUCEWRRSA-N 297.402 2.603 0 1 CFAF CC1=CC2=N[C@@H](Nc3ccc(C)cc3C)SN2N1 100475335 ZZIGQTDZJDUMCS-CYBMUJFWSA-N 260.366 2.783 0 3 CFAF CSc1ccccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 102736031 XWWBGDGACMLOGM-NUZBWSBOSA-N 287.384 2.944 0 1 CFAF CCSC1=NC(=O)C(=O)N1c1cc(Cl)ccc1C 29477663 XXLPNNPGDOREKS-UHFFFAOYSA-N 282.752 2.631 0 1 CFAF COc1ccc(C[C@H](O)c2nc3ccccc3[nH]2)cc1OC 103290423 LNMSHRDMBMJEMJ-AWEZNQCLSA-N 298.342 2.856 0 1 CFAF CC(C)CC/C=C(\NC(=O)[C@@H]1CC1(C)C)C(=O)O 26026833 GWBLSCPBZYDXDC-QBQSQJOESA-N 253.342 2.553 0 1 CFAF CCn1c(S)nnc1-c1nsc2ccccc12 29321081 RBIHLZKGHSUBLP-UHFFFAOYSA-N 262.363 2.863 0 1 CFAF CC(C)(O)c1cccc2c1S(=O)(=O)c1ccccc1O2 26186332 KODFKJRXDMBMFR-UHFFFAOYSA-N 290.340 2.853 0 1 CFAF c1cc(-c2ccn[nH]2)c2c(c1)[C@H](c1ncc[nH]1)CC2 29046237 VFOKHHLQWNICHU-CYBMUJFWSA-N 250.305 2.878 0 1 CFAF C[C@@H]1CCC2=C([C@H]3CC(C)(C)C[C@@H]31)[C@H](O)OC2=O 2356824305 GUNCMJRPHLTLMA-GCDPNZCJSA-N 250.338 2.641 0 1 CFAF CC(=O)O[C@H]1C[C@@H](C)C2=C3[C@@H]1C(C)(C)C[C@@]3(C)OC2=O 32296521 OMZUEHMZFLBHNI-PCKWUFTNSA-N 278.348 2.616 0 1 CFAF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C(=O)O)CC[C@@H]12 137334533 KZWCOWFKXMTBRH-ZWXOUNMOSA-N 262.305 2.616 0 1 CFAF biogenic Cc1nc(N)nc(N)c1OCc1cccc2ccccc12 45193049 QSUHTDMEAYWTKB-UHFFFAOYSA-N 280.331 2.682 0 1 CFAF O=c1oc(-c2cc(F)c(Cl)nc2Cl)ns1 95587251 LLYLONSREUZHRM-UHFFFAOYSA-N 267.068 2.604 0 1 CFAF Cc1ccc2oc(-c3ccc4c(O)nc(O)nc4n3)cc2n1 587553443 BOSDRLIXXIUUAI-UHFFFAOYSA-N 294.270 2.553 0 1 CFAF O=C1C[C@H](C2(C(=O)O)CC2)Oc2c1ccc1c2CCCC1 587528628 CZWXPFHDUNACKU-CQSZACIVSA-N 286.327 2.764 0 1 CFAF CCOC(=O)c1ccc2nc(C3=COCC3)[nH]c2c1 586912527 FSWOWCRTERTGQT-UHFFFAOYSA-N 258.277 2.501 0 1 CFAF COC(=O)Cc1ccccc1-c1nc2c(C)nc(C)cc2[nH]1 587783028 DCCIVYKGXRIMSG-UHFFFAOYSA-N 295.342 2.957 0 1 CFAF CC(C)(C)c1ccc2[nH]c(-c3ncc(N)cn3)nc2c1 587252260 BGJKCWYLGDLBFC-UHFFFAOYSA-N 267.336 2.900 0 1 CFAF Sc1nc(S)c2nc(-c3ncccc3Cl)[nH]c2n1 587065730 XZWRCESBYFTYGJ-UHFFFAOYSA-N 295.780 2.646 0 1 CFAF COc1cncc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c12 587088883 UJGHOXZWTCLKGF-MRVPVSSYSA-N 294.305 2.716 0 1 CFAF Cc1ccc2nc([C@H](O)c3cccc(O)c3)[nH]c2c1C 586888922 DJIDMNXIMDKHMV-OAHLLOKOSA-N 268.316 2.967 0 1 CFAF CC1=C[C@@H](Oc2ccc(F)cc2Br)OC1=O 147275366 IGRCSIKDODUAQH-JTQLQIEISA-N 287.084 2.796 0 1 CFAF CC(C)n1cnc2c(NCc3ccc(O)cc3)ncnc21 13538240 RDRSPHXLWMGMEU-UHFFFAOYSA-N 283.335 2.725 0 1 CFAF C[C@]1(O)CCC[C@]2(C)Cc3c(O)ccc(O)c3C[C@H]12 169659134 SIHKZQDGUPOURP-XHSDSOJGSA-N 262.349 2.754 0 1 CFAF NC(=S)c1cccc(-c2c[nH]c3c(CO)cccc23)c1 1857614415 NPOZRPJZPISCQJ-UHFFFAOYSA-N 282.368 2.961 0 1 CFAF O=C(CCc1cc(O)ccc1O)OCCc1ccccc1 1647696 HANVRACIAIQRLU-UHFFFAOYSA-N 286.327 2.816 0 1 CFAF C=Cc1ccc(C(=O)c2ccc3n2CC[C@H]3C(=O)O)cc1 25997325 MMQPGPFBKJDMQA-CYBMUJFWSA-N 281.311 2.934 0 1 CFAF CC(C)=CCc1ccc(O)c2c1[C@H](O)C[C@H]([C@H](C)O)OC2 2356598042 DAAIXDKHKPEZLL-IUIKQTSFSA-N 292.375 2.604 0 1 CFAF C[C@@H](c1cn(CCc2c[nH]cn2)nn1)C1CCCCC1 66166615 PLWRIVWTXYHFIP-GFCCVEGCSA-N 273.384 2.928 0 1 CFAF CCCN(CCC)C(=O)c1nc(-c2ccccc2)no1 72114774 AOXONTPPUKRNJF-UHFFFAOYSA-N 273.336 2.999 0 1 CFAF Cc1cccc(NC(=O)OC[C@@H]2C=CCN(C)C2)c1 84688229 DGDCIMZCZDGKDA-CYBMUJFWSA-N 260.337 2.661 0 1 CFAF CCC[C@@H](C)Nc1nc(N2CCCN(C)CC2)ncc1C 82201982 PBKFDRLXPMLZHP-CQSZACIVSA-N 291.443 2.527 0 1 CFAF CC[C@H](C)Oc1ccc2nc(N)nc(N)c2c1Cl 45193813 IAQKYTVDDSJROV-LURJTMIESA-N 266.732 2.625 0 1 CFAF NC(=O)c1cc2c(-c3ccc4c(c3)CCO4)cncc2s1 220552803 UBSLTNTXQVMCTB-UHFFFAOYSA-N 296.351 2.997 0 1 CFAF Cc1cncn1CCCN1Cc2ccccc2NC1=S 45245630 JETHNVUVDPOGTJ-UHFFFAOYSA-N 286.404 2.794 0 1 CFAF O=C(O)COc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 40380077 INVXNRJFCIBXGV-OWOJBTEDSA-N 286.283 2.732 0 1 CFAF COCC[C@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 587400187 LIQPJLPXPANMTI-MRXNPFEDSA-N 277.364 2.974 0 1 CFAF CCOC(=O)[C@@H]1[C@@H]2Cc3c(nc4cccc5c4c3CC5)[C@H]21 587215046 ZMYSBQAIDOROSE-DAXOMENPSA-N 279.339 2.782 0 1 CFAF Nc1cccc(C(=O)O)c1-c1nc2ccccc2[nH]1 587250300 MFQDDJSVVBNIOU-UHFFFAOYSA-N 253.261 2.510 0 1 CFAF C[C@H](CCc1nc2ccnc(Cl)c2[nH]1)CC(=O)O 587959779 AEAXJRDAFIQGJL-SSDOTTSWSA-N 267.716 2.655 0 1 CFAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cnncc2[nH]1 587148571 CIMBHFOOZXALHN-SSDOTTSWSA-N 276.246 2.771 0 1 CFAF Cc1cc(Br)cc2nc(CC3OCCO3)[nH]c12 586908831 SBFRLVXUNXJVSP-UHFFFAOYSA-N 297.152 2.549 0 1 CFAF Nc1ccc(/C=C/c2nc3cnc(Cl)[nH]c-3n2)cc1 587252073 VCDAERLYWPIJJK-ZZXKWVIFSA-N 271.711 2.711 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(C)nc1C)O2 587393590 IZSYBTWMVWTZEX-HNNXBMFYSA-N 283.331 2.691 0 1 CFAF Oc1nc(S)nc2[nH]c(CC3CCCCCC3)nc12 587960680 LUBNLAWELMRNRB-UHFFFAOYSA-N 278.381 2.860 0 1 CFAF Cc1ccc(-c2ccc3c(O)nc(O)nc3n2)c(F)c1F 587368071 HNCYRVGXINGOJU-UHFFFAOYSA-N 289.241 2.690 0 1 CFAF Oc1nc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cs1 587018325 VRRGHYQYTQPVLE-UHFFFAOYSA-N 286.238 2.806 0 1 CFAF COc1cccc(C)c1-c1nc2c(N)ccnc2[nH]1 587786186 IFPOLQZPKONAFQ-UHFFFAOYSA-N 254.293 2.524 0 1 CFAF CCCCCn1c(C)c(F)c(=O)n(CCCCC)c1=O 1857583558 SOTTXYHIYMGFSL-UHFFFAOYSA-N 284.375 2.838 0 1 CFAF CC(=O)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccccc1 212216 BBWOJGQDESHHFS-KRWDZBQOSA-N 298.317 2.716 0 3 CFAF COc1ccc(C(=O)c2ccc3n2CCC[C@H]3C(=O)O)cc1 25989419 SNYFALKQFAOOEL-CYBMUJFWSA-N 299.326 2.690 0 1 CFAF CC1(C)C[C@@H]2[C@H](O)C(C(=O)O)=C3CC[C@@]3(C)[C@@H]2C1 2356812696 BLHWUDYFVHCFRU-BCEPITFRSA-N 250.338 2.595 0 1 CFAF O=C(O)c1[nH]nc2c1C[C@@H](c1cc(F)ccc1F)CC2 42920095 UPIXPUKUUGSFKW-ZETCQYMHSA-N 278.258 2.659 0 1 CFAF COc1cc2c(c(OC)c1O)-c1c(O)cccc1CC2 84729125 HPDSFXKGXUGRME-UHFFFAOYSA-N 272.300 2.881 0 1 CFAF CCc1nc(C(=O)OCCc2ccccn2)cs1 82075079 VBFKIAMSPFRKRT-UHFFFAOYSA-N 262.334 2.500 0 1 CFAF O=CN1CCN(c2ccc(Cl)c(Cl)c2)C1=S 40829347 IXWZDPNLTSXXJU-UHFFFAOYSA-N 275.160 2.557 0 1 CFAF COc1cc(C)c2ccc(=O)oc2c1/C=C/C(C)(C)O 95486059 HKFVVPFAQAVZKE-BQYQJAHWSA-N 274.316 2.894 0 1 CFAF biogenic,in-vitro C[C@@H](NCCC(=O)c1cccc(O)c1)[C@@H](O)c1ccccc1 473137242 XGFPLJKNKLYZHD-FZKQIMNGSA-N 299.370 2.677 0 1 CFAF N[C@H](c1nc2cncc(Cl)c2[nH]1)c1ccc(F)cc1F 587151616 SXNSSVHPLAVCEO-NSHDSACASA-N 294.692 2.938 0 1 CFAF N[C@@H]1CC[C@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)C1 587246766 NFFYCQGRRCCDTK-NTSWFWBYSA-N 271.151 2.860 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1(C(F)F)CC1)O2 587380809 AWFGTOYGIWWMOD-NSHDSACASA-N 267.275 2.956 0 1 CFAF CCn1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)n1 587389583 BLGBUOYXNHTJSX-INIZCTEOSA-N 285.347 2.674 0 1 CFAF Cc1oc(-c2ccsc2)nc1Cc1nc2cncnc2[nH]1 587026563 FWBNWYBNESHFLD-UHFFFAOYSA-N 297.343 2.969 0 1 CFAF CCOC(=O)[C@@H](F)c1[nH]c2c(C(=O)O)cccc2c1C 587638275 VRDWKVCMWRIACS-JTQLQIEISA-N 279.267 2.748 0 1 CFAF C[C@@H]1Cc2nc3cccc4c3c(c2C[C@@H]1C(=O)O)CC4 587215472 ORULGJRAAIEIKE-SKDRFNHKSA-N 267.328 2.769 0 1 CFAF CCOc1cc(-c2nc3cnncc3[nH]2)ccc1C 587778316 LODFNEPSULJBPJ-UHFFFAOYSA-N 254.293 2.727 0 1 CFAF Fc1cncc(Cl)c1Cc1nc2nc(Cl)c[nH]c-2n1 587176400 SBEHZPLTRLSZMF-UHFFFAOYSA-N 298.108 2.736 0 1 CFAF COc1ccc2[nH]c(-c3ccc(CN=O)cc3)nc2n1 587190268 LZDVOCSZLIEQGE-UHFFFAOYSA-N 268.276 2.900 0 1 CFAF CCCC1(c2nc3ccc(-n4cnnn4)cc3[nH]2)CCC1 586877711 LIVQMXCNMMDHSD-UHFFFAOYSA-N 282.351 2.760 0 1 CFAF COc1cc(C)c(N)c(-c2nc3ccc(C(=O)O)cc3[nH]2)c1 587249194 KFCPSYHUIGAGJJ-UHFFFAOYSA-N 297.314 2.827 0 1 CFAF COc1c(F)cc(-c2nc3ccnc(O)c3[nH]2)cc1F 587134510 ICDVNFLVFMHZNG-UHFFFAOYSA-N 277.230 2.617 0 1 CFAF CO[C@H]1CC=C2CCN3CCc4ccc(O)cc4[C@]23C1 5998285 HJMBLPWMTXSDPK-RDJZCZTQSA-N 271.360 2.585 0 1 CFAF CCN1CCC[C@@H]1CN1CSc2ccccc2C1=O 13833674 AAEQTHDVHJEWMZ-GFCCVEGCSA-N 276.405 2.676 0 1 CFAF O[C@H]1O[C@H](c2ccco2)C(F)(F)C(F)(F)C1(F)F 1654472 XICDCMDCHMIBAQ-RITPCOANSA-N 276.132 2.575 0 1 CFAF CCCCNC(=O)[C@]1(C)CON=C1c1ccc(Cl)cc1 2462455 XTHQDYKCKPEGLE-OAHLLOKOSA-N 294.782 2.997 0 1 CFAF CC(=CCC[C@]1(C)[C@H]2CC[C@@H](C2)[C@@]1(C)O)C(=O)O 2356418644 QPVGQZZKAUMQSM-DDHJSBNISA-N 252.354 2.985 0 1 CFAF CC(C)NC(=O)c1c2c(nn1C)-c1ccccc1SC2 6738707 ULIYVRIVEVLFCZ-UHFFFAOYSA-N 287.388 2.831 0 1 CFAF Cc1cc(C)c(C(=O)c2c(C)nc(C)n2O)c(C)c1 103174386 HLFNTUJUCFSEMW-UHFFFAOYSA-N 258.321 2.894 0 1 CFAF CC1=Nc2ncnn2[C@H](c2ccncc2)/C1=C(\O)OC(C)C 101506434 GDCKBIBHHXPYPA-MNWMYKRDSA-N 299.334 2.563 0 1 CFAF CC1=C[C@@H]2Cc3nc(O)ccc3[C@]3(C1)NCCC(C)=C23 100914496 OBAHRUDJHVVJQM-PXAZEXFGSA-N 268.360 2.815 0 1 CFAF CC(C)C(=O)N1CCC[C@@]1(C)C(=O)Nc1ccccc1 61905177 QFVGVBYAHNDLHO-INIZCTEOSA-N 274.364 2.662 0 3 CFAF Cn1c(=O)c2nc(-c3ccccc3)cn2c2ccccc21 26734944 BHNBAZQODPGAAE-UHFFFAOYSA-N 275.311 2.853 0 1 CFAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4NC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 26394951 SXIPXKUAHBNRLJ-SZHUTJPWSA-N 291.435 2.869 0 1 CFAF O[C@]1(Cn2cncn2)CCC[C@@H]1Cc1ccc(Cl)cc1 34202721 QEEHVPIONMGPLD-HIFRSBDPSA-N 291.782 2.705 0 1 CFAF CC(=O)O[C@@H]1[C@H](C(C)C)CC[C@]2(C)[C@@H]1[C@](C)(O)CC[C@H]2O 138697243 PGMDYJUEXIFZJG-MHKQFDIHSA-N 298.423 2.512 0 1 CFAF CC[C@H](C)CNc1nc(N2C[C@@H](C)O[C@H](C)C2)ncc1C 82203123 GEKUNPCPDHDKGG-IACUBPJLSA-N 292.427 2.857 0 1 CFAF O=C(Cc1ccccc1)C[C@H](O)Cc1ccccc1 40980812 RGWUKZCFNDLAOG-MRXNPFEDSA-N 254.329 2.792 0 1 CFAF COC(=O)C1=C(c2cccs2)C[C@H]2CC[C@@H]1O2 84604486 RQDKDYRGZLTUMC-SCZZXKLOSA-N 250.319 2.626 0 1 CFAF Cc1ccncc1N1CCN(c2ccsc2)C1=O 149965808 DEDJWHSJPXQEPY-UHFFFAOYSA-N 259.334 2.898 0 1 CFAF Nc1ccccc1C1=NN(C(=O)CCc2ccccc2)CC1 96907963 FUWRKEZRFUMLDV-UHFFFAOYSA-N 293.370 2.838 0 1 CFAF COC(=O)Nc1nc2cc(C(=O)c3ccco3)ccc2[nH]1 299860559 GTPXGIBTVRDFNS-UHFFFAOYSA-N 285.259 2.565 0 1 CFAF CCOC(=O)c1ccc2nc(-c3c(N)cccc3O)[nH]c2c1 587250462 PGYWCXDUWVRHPX-UHFFFAOYSA-N 297.314 2.694 0 1 CFAF c1c2c(cc3[nH]c(CCOCC4CC4)nc13)OCCCO2 587783682 YQXYMOZQFUEDKS-UHFFFAOYSA-N 288.347 2.693 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)([C@@]1(C)CCCO1)[C@@H](C2)C3=O 587455934 RBEJPLKBMREUCW-JCURWCKSSA-N 288.343 2.770 0 1 CFAF COc1cccc(Cc2nc3cccc(O)c3[nH]2)c1 587930577 IIHDFNKPHSBZTN-UHFFFAOYSA-N 254.289 2.868 0 1 CFAF COc1ccc(C=O)cc1-c1nc2ccc(C(=O)O)cc2[nH]1 587788090 VHUIJFACEMLYCP-UHFFFAOYSA-N 296.282 2.749 0 1 CFAF C[C@H](c1nc2ccc(C(=O)O)cc2[nH]1)n1cc(Cl)cn1 587082073 JOSKWTKPAFEEGT-SSDOTTSWSA-N 290.710 2.720 0 1 CFAF Nc1ccnc2[nH]c(CCCCc3cccc(O)c3)nc12 586896255 MWBJNGHEIGERKS-UHFFFAOYSA-N 282.347 2.811 0 1 CFAF CC(C)CC(=O)C[C@@]1(C)CC[C@H]([C@@H](C)CCO)O1 14556685 NQUGBBCWSQRMST-NWANDNLSSA-N 256.386 2.948 0 1 CFAF endogenous,in-man CC(=O)OCc1cn(-c2cc(Cl)cc(Cl)c2)nn1 1857746081 JKJOZZCARYARNC-UHFFFAOYSA-N 286.118 2.637 0 1 CFAF COc1cc(Nc2nc(C)cc(N(C)C)n2)ccc1F 1857769066 HGCMDKGICBTSPB-UHFFFAOYSA-N 276.315 2.742 0 1 CFAF c1cncc(Nc2nc(SCc3ccncc3)n[nH]2)c1 14964361 SQQSUMIEMWCUGN-UHFFFAOYSA-N 284.348 2.631 0 1 CFAF Cn1cnc(-c2cc3nn[nH]c3cn2)c1-c1ccc(F)cc1 1857774590 DFIZSWCEVFIDEP-UHFFFAOYSA-N 294.293 2.560 0 1 CFAF O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccccc1 116176719 DOBGWKGFNDENMU-INIZCTEOSA-N 282.343 2.600 0 1 CFAF CC(=O)NCC[C@H]1CCCc2ccc3c(c21)CCCO3 13781787 IHUJPHWOKWPNKM-CQSZACIVSA-N 273.376 2.958 0 1 CFAF Cc1ccc(Cn2cnc3c(N(C)C)nc(C)nc32)cc1 3647028 SBCHZSSAGXEKMP-UHFFFAOYSA-N 281.363 2.557 0 1 CFAF C[C@H]1C=CC[C@H]2C(=O)N(c3ccc(Cl)cc3O)C(=O)[C@H]12 4121804 YKOWREXPNNRJCC-IYYTYJHQSA-N 291.734 2.747 0 1 CFAF Cc1nc2cnc(Nc3ccccc3)nc2n(C2CC2)c1=O 4238763 HNMUOXBYMSVHJX-UHFFFAOYSA-N 293.330 2.573 0 1 CFAF Cc1ccc([C@@H](C)CCC(=O)C(C)(C)O)c(O)c1 6522328 OPIONRSEYDRIMF-NSHDSACASA-N 250.338 2.924 0 1 CFAF Nc1nc(-c2ccco2)cc(-c2ccccc2O)n1 103286710 IBEMCRXKXRILBG-UHFFFAOYSA-N 253.261 2.691 0 1 CFAF COC(=O)[C@@H](OC)[C@@H](Oc1ccccc1)c1ccccc1 2356284093 NPTMPKBEAUYEAM-HOTGVXAUSA-N 286.327 2.995 0 1 CFAF COc1cccc(S[C@H](C)CNC(=O)C2CC2)c1 58590605 IREAESBFNUITAT-SNVBAGLBSA-N 265.378 2.702 0 1 CFAF CN(C(=O)[C@]12C[C@@H]1C(=O)c1ccccc1O2)c1ccccc1 101478474 MTIBTLMVJDLQSG-KDOFPFPSSA-N 293.322 2.683 0 1 CFAF [18F]c1cc(-c2cc(OC[C@@H]3CCN3)cnc2Cl)ccn1 100082480 VFLDVWMYMPOJTA-IANUPZFQSA-N 292.732 2.677 0 1 CFAF NC(=O)N1c2ccccc2C[C@@H](OC=O)c2ccccc21 26574439 RFTCAPKGHRFCFL-OAHLLOKOSA-N 282.299 2.674 0 1 CFAF CNC(=O)N(C)[C@H]1c2cccnc2Oc2c(F)cccc21 28015958 PVGCBOBJTUNDKA-GFCCVEGCSA-N 287.294 2.687 0 1 CFAF Oc1ccc2ncn(-c3ccc4c(c3)CCC4)c2n1 118264610 OCPLMZOFDHECCC-UHFFFAOYSA-N 251.289 2.615 0 1 CFAF c1ccc(-c2nc3ccccc3n2CC2=NCCN2)cc1 73198090 AHLXCSZQMOMFAP-UHFFFAOYSA-N 276.343 2.705 0 1 CFAF C(=C/[C@H]1C[C@H]1NCC1CCNCC1)\c1ccccc1 1911580413 HNODLNCWVUEPIF-YMPXZSTISA-N 256.393 2.678 0 1 CFAF CNC(=O)c1cncc(/C=C/c2ccccc2C)c1 40576335 IDHOIXYTISLBFT-BQYQJAHWSA-N 252.317 2.920 0 1 CFAF O=C(O)c1[nH]nc2c1C[C@@H](c1cc(F)cc(F)c1F)CC2 43025285 DKRWTSSIUWFPPD-LURJTMIESA-N 296.248 2.798 0 1 CFAF FC(F)(F)OCc1nc2cncc(Br)c2[nH]1 587125114 PRNTYZJXFWWGSJ-UHFFFAOYSA-N 296.046 2.757 0 1 CFAF Clc1ccc(-c2nc3cnncc3[nH]2)nc1Cl 587084755 SIWSDQCVKVOCEY-UHFFFAOYSA-N 266.091 2.722 0 1 CFAF CC[C@@]1([C@H](C)CN(C)C)CC(=O)c2cc(C)cc(N)c2O1 587384912 ACBOCYHNLSVNGC-PXAZEXFGSA-N 290.407 2.889 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(Cl)cn1)O2 587379442 IOVGEMLHAOEKHN-GFCCVEGCSA-N 289.722 2.727 0 1 CFAF Cc1ccc2nc(CCc3scnc3C)[nH]c2n1 587028371 UQXPLGOHVCVJHJ-UHFFFAOYSA-N 258.350 2.816 0 1 CFAF COC(=O)c1cccc2nc([C@H](C(C)C)N(C)C)[nH]c12 587198177 ANCALBYHWLEZSY-ZDUSSCGKSA-N 275.352 2.608 0 1 CFAF COc1ccc([C@@H](C)c2ccc3c(O)nc(O)nc3n2)cc1 587561663 UPOZEQHIWSMMFD-SECBINFHSA-N 297.314 2.596 0 1 CFAF OC1(c2nc3cccnc3[nH]2)CCC(C(F)(F)F)CC1 587124469 AFMYCXGYZKHGAP-UHFFFAOYSA-N 285.269 2.898 0 1 CFAF CNc1ncccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432309 KMKJHRLBKKOOJU-WBMJQRKESA-N 296.326 2.621 0 1 CFAF COC(=O)Nc1ccc(-c2nc3nc(OC)ccc3[nH]2)cc1 587243716 PNQXEMJKALLDBV-UHFFFAOYSA-N 298.302 2.812 0 1 CFAF O=C(O)CC[C@@]1(C2CCCC2)NCCc2ccc(O)cc21 963341648 OHHSKGZXGSPQOT-KRWDZBQOSA-N 289.375 2.788 0 1 CFAF C[C@H](c1ccc(COCc2ccccc2)o1)N(O)C(N)=O 11688193 LVMYDBXPMONGHK-LLVKDONJSA-N 290.319 2.827 0 1 CFAF CC(=O)O[C@H](Cc1c[nH]c2ccccc12)C(=O)C(C)C 14455627 MNIVLQOKRHODTM-OAHLLOKOSA-N 273.332 2.867 0 1 CFAF C[C@H](CO)CC(=O)C[C@@]1(C)CC[C@@H](c2ccoc2)O1 14556659 LKVKWNDXOWODLO-TUKIKUTGSA-N 266.337 2.868 0 1 CFAF endogenous,in-man CCCc1nc2c(C)cc(C(=O)O)cc2n1CC[18F] 102017212 GMWZQBOSWCIGPF-HUYCHCPVSA-N 263.303 2.965 0 1 CFAF CC(C)C[C@H](O)C(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 103225561 ALZUPAJVBDNCBS-IATRGZMQSA-N 267.413 2.724 0 1 CFAF CCc1nnc2c(NC(C)C)nc3cc(F)ccc3n12 26297110 VGQUZCNFGRAFIW-UHFFFAOYSA-N 273.315 2.799 0 1 CFAF COC(=O)C1=C(O)/C(=C\c2ccc(C)cc2)N=C1C 103523816 KBIREANKDSPPBL-XYOKQWHBSA-N 257.289 2.796 0 1 CFAF COc1cc2[nH]c(=O)nc(Cc3ccccc3)c2cc1OC 29214873 ZEXASUHOTANTCY-UHFFFAOYSA-N 296.326 2.531 0 1 CFAF Cc1ccc(-c2nc(N)nn2-c2ccccc2)cc1 64658534 BNAQTKQCRZAFRE-UHFFFAOYSA-N 250.305 2.825 0 1 CFAF C[C@@H]1CN([C@@H]2CCCC[C@@H]2O)CCN1c1ccccc1 28237994 IKPMULIIVRGEMT-OIISXLGYSA-N 274.408 2.501 0 1 CFAF CC1=C[C@@H]2[C@H](CC1)C(C(=O)O)=CC[C@H]2[C@@H](C)CO 2356532386 XBUHBZLIZBPSET-FMSGJZPZSA-N 250.338 2.618 0 1 CFAF CNC(=O)N(C)[C@H]1c2cc(F)ccc2Oc2ncccc21 28006990 HUYSZMGHXCGNOP-CYBMUJFWSA-N 287.294 2.687 0 1 CFAF Clc1ccc(-n2cc(-c3ccccn3)nn2)cc1 73220307 RTBUWXKBWXIXRG-UHFFFAOYSA-N 256.696 2.983 0 1 CFAF O=C1CC[C@@]2(c3ccc(F)cc3)Nc3ncccc3N12 31840372 OPSPNCQZCKHLHN-OAHLLOKOSA-N 269.279 2.626 0 1 CFAF O=C(Cc1ccccc1)c1cn(Cc2ccccc2)nn1 72123090 UTLXRJWMIFUDMN-UHFFFAOYSA-N 277.327 2.752 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)-c1cccc(Cl)c1CC3 587368767 OMLNCYNJMBLUJT-UHFFFAOYSA-N 299.717 2.855 0 1 CFAF COc1cc2nc([C@@H](C)Sc3ncccn3)[nH]c2cn1 586963165 FTISBXJKXBALKP-MRVPVSSYSA-N 287.348 2.610 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CSC[C@@H]1C)O2 587412444 CLNUWDNNTCOXRW-LKFCYVNXSA-N 263.362 2.664 0 1 CFAF Nc1ccc2oc(-c3nc4nc(Cl)c[nH]c-4n3)cc2c1 587252288 VQYAHRHBEXVHGX-UHFFFAOYSA-N 285.694 2.953 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(CCCN(C)C)[C@@H](C2)C3=O 587428850 LSPFWASZYYEYNI-GUYCJALGSA-N 289.375 2.543 0 1 CFAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(=N)[nH]cc3[nH]2)cc1 586890281 NZRYFKOMOXOXST-BONVTDFDSA-N 282.347 2.516 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1ccncc1)O2 587394137 CXAROXMATZRBLA-CYBMUJFWSA-N 282.343 2.939 0 1 CFAF N=c1cc[nH]cc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 587250230 YGPJWQYJXMGWIO-UHFFFAOYSA-N 294.236 2.936 0 1 CFAF COc1cc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2cn1 587115561 PUZZGELJECVWGL-UHFFFAOYSA-N 296.252 2.991 0 1 CFAF COc1cccc2cc3c(nc12)[C@@](C)(c1cocn1)NCC3 963067012 MPNLXKASAHZDCT-QGZVFWFLSA-N 295.342 2.641 0 1 CFAF COC(=O)C(=O)c1cc(C)ccc1NC(=O)c1ccccc1 1772642076 QCFGQWRIRQUFIQ-UHFFFAOYSA-N 297.310 2.603 0 1 CFAF Cn1c(C(=O)Nc2cccc(CO)c2)cc2sccc21 1772623617 KIAURUGMJHCDQI-UHFFFAOYSA-N 286.356 2.984 0 1 CFAF O=C(O[C@H](c1ccccc1)C1CNC1)c1ccccc1 150048861 IIYIEZQVFYKYOZ-MRXNPFEDSA-N 267.328 2.804 0 1 CFAF C[C@@]12C=C[C@](C)(O1)c1c2c(O)n(-c2ccccc2)c1O 169690166 GSNKZVJHKBUAPY-HOTGVXAUSA-N 269.300 2.919 0 1 CFAF O=C1[C@H]2CCCN2[C@@H](c2ccccc2)N1c1nccs1 59814404 REWLCLBPTOHABV-CHWSQXEVSA-N 285.372 2.653 0 3 CFAF O=C1C[C@@H](C2=CC=C(O)CC2)Oc2cc(O)cc(O)c21 2356691057 WGEYAGZBLYNDFV-ZDUSSCGKSA-N 274.272 2.594 0 1 CFAF CC1=C[C@H](O)CC(C)=CCc2cc(ccc2O)OC1 2356873735 YIHGUTDHPPJEIM-CQSZACIVSA-N 260.333 2.971 0 1 CFAF CN1[C@H]2CCc3ccccc3[C@]1(O)c1ccccc12 40741545 STUAGFZGFQVIOY-IRXDYDNUSA-N 251.329 2.813 0 1 CFAF CCCC(=O)c1ccc(OCC(=O)O)c(C)c1C 66066309 WPOZENQWTYDJML-UHFFFAOYSA-N 250.294 2.750 0 1 CFAF O=C(N1CCN(C2CCCC2)CC1)N1Cc2ccccc2C1 36188083 YOPQYKHNKJFQGY-UHFFFAOYSA-N 299.418 2.682 0 1 CFAF Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(N)cc32)[nH]1 45364366 XYONNOXYJMPBMA-GHXNOFRVSA-N 253.305 2.706 0 1 CFAF in-vitro CCN1C[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1 40975510 TYLMLPKAERVPKY-IYBDPMFKSA-N 294.402 2.532 0 1 CFAF Cc1nc(N)nc(N)c1-c1cc(Cl)c(N)c(Cl)c1 45193137 GFTAALLRHJZQOG-UHFFFAOYSA-N 284.150 2.505 0 1 CFAF Cc1cc(N=c2cc[nH][nH]2)n2nc(-c3ccccc3)cc2n1 621443153 VBMRRVBTIFQSCF-UHFFFAOYSA-N 290.330 2.593 0 1 CFAF CC[C@@]1(c2cnn(C)c2C)CC(=O)c2cc(C)cc(N)c2O1 587392347 STCZXMQKRDMJAL-KRWDZBQOSA-N 299.374 2.890 0 1 CFAF Cc1cc2c(O)nc(O)nc2nc1-c1c[nH]c2ccccc12 587556778 ZAUSZPWYKTWTHS-UHFFFAOYSA-N 292.298 2.893 0 1 CFAF C[C@]1(c2nc[nH]n2)CC(=O)c2ccc3c(c2O1)CCCC3 587526919 RVLPSJPQIMQDAL-MRXNPFEDSA-N 283.331 2.564 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)CC=C(c1ccccc1)C3 587562065 ORKPLZJBOGKAMX-UHFFFAOYSA-N 291.310 2.618 0 1 CFAF Oc1nc(O)c2ccc([C@@H]3CC4CCC3CC4)nc2n1 587561254 GKQSDTOSVROJIL-NWGYLPEXSA-N 271.320 2.730 0 1 CFAF Clc1cc2c(cc1Cl)C[C@@]1(CC2)CN=CN1 13743720 UHOFUSSODYJREP-LBPRGKRZSA-N 255.148 2.852 0 1 CFAF Cc1cccc2c(=O)n([C@H]3CN4CCC3CC4)cc(C)c12 13832777 UNBWFBRFMCIWTJ-INIZCTEOSA-N 282.387 2.885 0 1 CFAF CC1(C)CCC[C@]2(C)C3=C(CC[C@@H]12)C(=O)O[C@@H]3O 14449541 XTQKCVAXPOCYKT-XEGUGMAKSA-N 250.338 2.785 0 1 CFAF COc1ncccc1CN[C@H]1[C@@H](C)[C@@H]1c1ccccc1 1857774736 WAEADOWZJQBKBN-MAZHCROVSA-N 268.360 2.982 0 1 CFAF COc1ccccc1C(=O)c1ccc(OC)c(OC)c1O 139954789 LVARVEKCGWPHPU-UHFFFAOYSA-N 288.299 2.649 0 1 CFAF COC(=O)c1cccc2c1Nc1cccc(C(=O)O)c1N2 2356327840 JUYPUJAZZNCLQB-UHFFFAOYSA-N 284.271 2.972 0 1 CFAF C[C@H]1CCC[C@H](NC(=O)CSc2ncccn2)[C@@H]1C 6913608 PNGALHZFPVAHPY-TUAOUCFPSA-N 279.409 2.510 0 1 CFAF CC1=CC2=c3cc(C)ccc3=N[C@@H](c3sccc3C)N2N1 104045771 FGBHPVNQNRCPBP-QGZVFWFLSA-N 295.411 2.529 0 3 CFAF CCC(=O)Nc1c2c(nc3ccccc13)N(C)CC2 26992288 WVCQGIWNSKOMTR-UHFFFAOYSA-N 255.321 2.576 0 1 CFAF c1cc(CC2CCCCC2)nc(N2CCNCC2)c1 28244860 RVYSFDSBHGXYDX-UHFFFAOYSA-N 259.397 2.614 0 1 CFAF COc1ccc([C@@H](C)C(=O)c2ccc(O)cc2O)cc1O 31160403 WTIDVYCGROARDC-SECBINFHSA-N 288.299 2.798 0 1 CFAF CO[C@@H]1C[C@@](O)(CCc2ccccc2)C(C)(C)O1 38999342 UOFVQYXPYWRWJJ-ZFWWWQNUSA-N 250.338 2.522 0 1 CFAF Cc1cccc([C@H]2N(c3ccccn3)C(=O)[C@@H]3CCCN32)c1 75402946 MCYHUQWAHYKGDU-DOTOQJQBSA-N 293.370 2.900 0 1 CFAF C[C@@H]1CCCCN1c1nc(N)nc2[nH]c3ccc(O)cc3c12 221375000 CNWMIQIFWQXBOE-SECBINFHSA-N 297.362 2.778 0 1 CFAF COc1cc(O)cc2c1C(=O)c1c(O)cc(C)cc1C2 198702653 LIERHHLUYBZDDS-UHFFFAOYSA-N 270.284 2.550 0 1 CFAF Cn1cnc(-c2ccccc2)c1[C@H]1C[C@@H]1c1ccnc(N)n1 40425289 LUWKTNHNUUQNQZ-STQMWFEESA-N 291.358 2.730 0 1 CFAF CCC[C@H](O)C[C@H]1CCC[C@@H](C[C@H](O)CCC)N1 137415982 YASYAQIAFYRYBX-PYHGIMPFSA-N 257.418 2.599 0 1 CFAF CC(C)[C@H](/C=C/[C@]1(C)C[C@@H](O)CO1)CC[C@H](C)O 238766091 KESQMTSCBAOJNY-AXGFJOFOSA-N 256.386 2.516 0 1 CFAF O=C(NCCCNCc1ccccc1)Nc1ccccc1 95572621 RDKKCLJTSSGOFS-UHFFFAOYSA-N 283.375 2.988 0 1 CFAF FC1(c2nc3ccc(-n4cnnn4)cc3[nH]2)CCCCC1 587132238 NVTFTJRVJXEFIX-UHFFFAOYSA-N 286.314 2.668 0 1 CFAF O=C(O)/C=C\c1ccccc1-c1nc2ccc(CO)cc2[nH]1 586878544 FYWPKRFGJUGAEH-VURMDHGXSA-N 294.310 2.820 0 1 CFAF CCc1ccccc1NC(=O)c1nc2cc(CO)ccc2[nH]1 587241306 SSXAYNYWNSRDQC-UHFFFAOYSA-N 295.342 2.870 0 1 CFAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(F)cnc2[nH]1 587164166 RNIBLRGMPSZIGU-CYBMUJFWSA-N 288.301 2.887 0 1 CFAF CN(C)c1ccc(-c2nc3ncc(Cl)cc3[nH]2)nc1 587195624 YJSZOSQJUPBNGC-UHFFFAOYSA-N 273.727 2.739 0 1 CFAF COc1ccc2c(c1)C[C@@H](c1nc3ncc[nH]c-3n1)CC2 587947098 SKUUXZBWSJKQBW-NSHDSACASA-N 280.331 2.586 0 1 CFAF COc1ccc(C[C@@H](C)c2nc3cnncc3[nH]2)cc1OC 587927408 UEWGZESWUXXKFD-SNVBAGLBSA-N 298.346 2.716 0 1 CFAF COC(=O)CC[C@H](N)c1nc2ccc(C(C)(C)C)cc2[nH]1 587259280 IEYQTTJVTUDNOH-NSHDSACASA-N 289.379 2.813 0 1 CFAF COc1cncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587395072 OCJAPTXRMGZJGH-OAHLLOKOSA-N 284.315 2.687 0 1 CFAF COC(=O)c1ccc2nc(C[C@H]3CCC(=O)[C@H]3C)[nH]c2c1 587963842 UJUPCEPYCSNGNQ-VHSXEESVSA-N 286.331 2.507 0 1 CFAF CC(=O)Nc1ccccc1[S@@](=O)c1ccccc1 5663707 FOTCKOVKDZSJGX-GOSISDBHSA-N 259.330 2.812 0 1 CFAF CC(=O)Nc1cccc2c1CCC[C@@H]2c1c[nH]cn1 13580170 SXPWQXVCFMMCEE-ZDUSSCGKSA-N 255.321 2.836 0 1 CFAF COC(=O)c1cc(O)cc2nc(-c3ccc(O)cc3)oc12 13583666 WOPMHDJYORWLHT-UHFFFAOYSA-N 285.255 2.693 0 1 CFAF CN1CCN(c2nc(Cl)cc(-c3cccs3)n2)CC1 13808374 JOGIFICSDLMGIB-UHFFFAOYSA-N 294.811 2.610 0 1 CFAF O=C(O)[C@@H]1[C@@H]2CC[C@H](C2)[C@H]1C(=O)NCCC1=CCCCC1 169694010 BJWCSXUZTHCWID-KBUPBQIOSA-N 291.391 2.740 0 1 CFAF COc1ccccc1NC(=O)OCCN1CCCCC1 6019279 JNKKDXWOIGMRJB-UHFFFAOYSA-N 278.352 2.730 0 1 CFAF CC[C@@H]1CC(=O)C[C@@]23CCN(C)[C@H](Cc4ccc(O)cc42)[C@@H]13 100802912 SZIGYSMMOMTFKG-HDBZGKQISA-N 299.414 2.896 0 1 CFAF CCOC(=O)C1=C(C)N=C(C)/C(=C(\O)OCC)[C@@H]1C 103351464 RDYDBCPYYQVGCV-LVBPULCISA-N 267.325 2.740 0 1 CFAF CCN[C@H]1CCc2c(OC)ccc(SC)c2C1 29212343 DVTQGPIODHLNJI-JTQLQIEISA-N 251.395 2.884 0 1 CFAF O[C@H](COc1ccc2ccccc2c1)[C@@H]1CCCCN1 26248715 MJYNIIZCJHUPFT-DLBZAZTESA-N 271.360 2.722 0 1 CFAF NC1=N[C@@H](c2ccccc2)CN1CCOCc1ccccc1 27716515 UGOVATBYCCKYTQ-QGZVFWFLSA-N 295.386 2.575 0 1 CFAF COC(=O)/C=C/c1ccc(OC)c(/C=C/C(C)(C)O)c1 31165713 FMRWLSIFAAUVQU-QGHYKFKQSA-N 276.332 2.666 0 1 CFAF O=C(Nc1ccccc1Cl)Nc1ncnc2[nH]ncc12 39369469 FYEJEWWPQGGYHV-UHFFFAOYSA-N 288.698 2.650 0 1 CFAF NC(=O)[C@H]1CCC[C@H]2c3cc(Cl)ccc3N[C@@H]12 40764122 NYORQUCSPQVLTE-HOTUBEGUSA-N 250.729 2.503 0 1 CFAF Fc1ccc(-c2cc(NC[C@H]3CCCO3)ncn2)cc1 82161174 ZQRMVEXWIWZZCR-CYBMUJFWSA-N 273.311 2.874 0 1 CFAF OCc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144699362 PDMZKWKMQPXJDT-AWEZNQCLSA-N 280.245 2.958 0 1 CFAF O=C1c2ccccc2-c2nc3cc(F)ccc3nc21 473112600 FOUZJQBJLIRKRV-UHFFFAOYSA-N 250.232 2.980 0 1 CFAF Oc1nncc2nc(/C=C/c3ccc(F)cc3F)[nH]c12 587151275 RNOUDRWAWWDTTE-DUXPYHPUSA-N 274.230 2.507 0 1 CFAF O[C@H]1C[C@@H](c2nc3cnccc3[nH]2)c2ccccc21 586904887 WDNRHMKWCTULIN-RISCZKNCSA-N 251.289 2.527 0 1 CFAF Cc1[nH]c2c(C(=O)O)cccc2c1CCCN(C)C 587638719 UHLFCMFBMNUQIM-UHFFFAOYSA-N 260.337 2.669 0 1 CFAF C[C@H](O)Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586889084 DYJXJXWOWAZSFZ-YFKPBYRVSA-N 295.211 2.535 0 1 CFAF CC[C@H]1OCCC[C@@H]1c1nc2cnc(Cl)[nH]c-2n1 586912275 NPAKCGQTPKZJPD-IONNQARKSA-N 266.732 2.631 0 1 CFAF O=C1C[C@H](c2cnc[nH]2)Oc2c1ccc1c2CCCC1 587524051 JANYDTSOJLZFKH-OAHLLOKOSA-N 268.316 2.995 0 1 CFAF C[C@@H](O)c1ncc(-c2nc3cc4cn[nH]c4cc3[nH]2)s1 587021477 IOXCGJBEZORMGT-ZCFIWIBFSA-N 285.332 2.616 0 1 CFAF Cc1cc2c(cc1F)[C@@](C)(c1ccc(N)nc1)NCC2 962089376 GPZBLMHMCLIUHG-MRXNPFEDSA-N 271.339 2.521 0 1 CFAF CCCCNc1nc(N)nc2ccn(Cc3ccccn3)c12 1772571875 BCLAUIYTXNBJSA-UHFFFAOYSA-N 296.378 2.669 0 1 CFAF CC(C)(C)OC(=O)NCC[C@H]1S[C@@H]2C=C[C@H]1C2 17261162 NOTIXZCRLVHBGB-HBNTYKKESA-N 255.383 2.961 0 1 CFAF CN1[C@@H]2CCC[C@@H]1[C@H](OC(=O)C1CCCCC1)C2 100858274 OALBGXZFCMPEGE-MGPQQGTHSA-N 251.370 2.735 0 1 CFAF O=C(O)C[C@]12N[C@@](Cl)(Cc3ccccc31)c1ccccc12 100649255 CBSZYTKTSSEDCP-IRXDYDNUSA-N 299.757 2.956 0 1 CFAF CSc1ncnc2c1ncn2Cc1ccccc1 25975061 VFTQNGOHOHGYRP-UHFFFAOYSA-N 256.334 2.597 0 1 CFAF CC=C(C)C(=O)Oc1c(OC)cc(C=CCO)cc1OC 2356448369 BHVADVHJIVBAHV-UHFFFAOYSA-N 292.331 2.581 0 1 CFAF Cc1cc(O)c([C@@]2(C)C[C@H](O)CC2(C)C)cc1O 2356855361 RCNJFXVTFBBMKY-MEBBXXQBSA-N 250.338 2.845 0 1 CFAF COc1ccc(/C=C/c2cc(=O)cc(OC)o2)cc1 39043542 HHSHIDRPFXMPHE-VMPITWQZSA-N 258.273 2.827 0 1 CFAF O=C1N(CCN2CCCCCC2)CCN1c1ccccc1 49109731 NBYFBVZSSQUNTB-UHFFFAOYSA-N 287.407 2.805 0 1 CFAF O=c1ccn(-c2nccc(-c3ccccc3)c2F)cc1O 221465913 GQWSHXNJDYQBLO-UHFFFAOYSA-N 282.274 2.744 0 1 CFAF CC1(C)CN(c2ccc(C#Cc3cccnc3)cn2)C(=O)O1 144817855 CSVJXDYKTNRNLA-UHFFFAOYSA-N 293.326 2.612 0 1 CFAF CC(=O)c1ccc([C@H]2CC(OCCF)=CC(=O)O2)cc1 199228403 FMRFKSUPMWHXEK-CQSZACIVSA-N 278.279 2.747 0 3 CFAF COc1ccc(N(C)c2nc(=O)c3cccnc3s2)cc1 148734253 NDGNMOHOJLWFOD-UHFFFAOYSA-N 299.355 2.828 0 1 CFAF COc1ccccc1-c1cccc2c1CC(=O)[C@H](N)CC2 473084962 UZBGIJICQPWWFM-MRXNPFEDSA-N 281.355 2.747 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1cccc(C=O)c1)[C@@H](C2)C3=O 587444362 DAAABLQXIIXZGX-KBXCAEBGSA-N 294.306 2.996 0 1 CFAF CCn1cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587433183 WADWWVLMHHLXFH-CXAGYDPISA-N 298.342 2.574 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn3ccccc13)O2 587394585 HWXRDLJJUWXCRU-INIZCTEOSA-N 293.326 2.931 0 1 CFAF Cc1nnc2sc(C(=O)c3cccnc3)c(N)c2c1C 1857576797 HEXZKJWDFXGVKQ-UHFFFAOYSA-N 284.344 2.516 0 1 CFAF CCN1C(=O)C(c2ccccc2)(c2ccccc2)NC1=S 13642197 NGSGJRHVUHIATF-UHFFFAOYSA-N 296.395 2.667 0 1 CFAF CCCC(=O)NCCc1c[nH]c2cc(F)c(OC)cc12 13738662 CJUJBAGNNZBARA-UHFFFAOYSA-N 278.327 2.774 0 1 CFAF C[C@@H]1C[C@]23CCN(C4CC4)[C@H](Cc4ccc(O)cc42)[C@@]3(C)O1 169316847 AHYHUCVNTHMBHY-HAFFEQERSA-N 299.414 2.990 0 1 CFAF C[C@H]1C(=O)S[C@@](C)(Cc2ccc(F)cc2)C1=O 169719254 SRLDZLRFVVSJBE-OQPBUACISA-N 252.310 2.606 0 1 CFAF CCC(=O)N1CCC[C@H](c2nc3cc(Cl)cnc3[nH]2)C1 1857589842 BFAQVECAZCMLCU-VIFPVBQESA-N 292.770 2.727 0 1 CFAF CCCCC[C@@](O)(Cn1cncn1)c1ccccc1F 1857771930 IMBMIVKMTFPKKU-OAHLLOKOSA-N 277.343 2.885 0 1 CFAF CCCCNC(=O)CCCn1sc2ccccc2c1=O 6751440 PHBUKEYXRDBXIV-UHFFFAOYSA-N 292.404 2.760 0 1 CFAF N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)o3)o2)cc1 59859411 PBFZBNHBVBNGPV-UHFFFAOYSA-N 294.314 2.775 0 1 CFAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCc2cccnc21 28964979 MNELSNAYLAVDIE-CQSZACIVSA-N 293.330 2.767 0 1 CFAF CCCc1cnc(Nc2ccc3c(c2)CCC3)[nH]c1=O 28570504 CQGOAOSRWASOLM-UHFFFAOYSA-N 269.348 2.955 0 1 CFAF O=c1ccc(Nc2ccc(Cl)cc2Cl)n[nH]1 103211277 CUTMOAYAGQHIHL-UHFFFAOYSA-N 256.092 2.820 0 1 CFAF CCCCC[C@]1(c2ccc(N)cc2)CCC(=O)NC1=O 28766104 VFLOMQQDKBQIOE-MRXNPFEDSA-N 274.364 2.524 0 1 CFAF in-vivo O=C(NCc1c(F)cccc1F)c1snnc1C1CC1 28956842 KJDSWJUTKMRBGE-UHFFFAOYSA-N 295.314 2.624 0 1 CFAF CC(=O)[C@H](C)[C@@H](O)[C@@H](C)c1ccc(C)cc1C=CCO 2356628052 FTTQBBNJVTYJPS-GDZNZVCISA-N 276.376 2.690 0 1 CFAF C=CC1=C(C(=O)NCCC)[C@@H](c2ccc(OC)cc2)OC1 73240054 HXAUWHBGUARRQE-MRXNPFEDSA-N 287.359 2.775 0 1 CFAF C[C@@H](CCOC(=O)c1ccccc1Cl)n1cncn1 43022494 UPNCASFZAJFPGP-JTQLQIEISA-N 279.727 2.740 0 1 CFAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C[C@@H](O)[C@@H]2O 238732981 PROQIPRRNZUXQM-SUMCQTLJSA-N 288.387 2.580 0 1 CFAF COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2 238731637 OFKGFPTVZGCBHS-UHFFFAOYSA-N 270.284 2.550 0 1 CFAF COc1ccccc1CC(=O)n1sc2ccccc2c1=O 299820063 DLYWFYKLKHPATQ-UHFFFAOYSA-N 299.351 2.955 0 1 CFAF Nc1ccc(-c2nc3cncnc3[nH]2)c(C(F)(F)F)c1 587095685 QITZXUXCFZDJCV-UHFFFAOYSA-N 279.225 2.621 0 1 CFAF COc1cncc(N)c1-c1nc2cc(F)c(C)cc2[nH]1 587252962 VNCLFHKKCHDALS-UHFFFAOYSA-N 272.283 2.663 0 1 CFAF CCn1ccnc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587388717 AAWIJQZQAGUNGT-CYBMUJFWSA-N 271.320 2.500 0 1 CFAF CC[C@@H]1OCCC[C@@H]1c1nc2cccc(C(=O)O)c2[nH]1 586913392 RDKBTFMMDHCJDE-CABZTGNLSA-N 274.320 2.934 0 1 CFAF C[C@H](O)Cc1nc2cc(Br)c(F)c(F)c2[nH]1 586889087 DYRAFLTVMWTJNK-BYPYZUCNSA-N 291.095 2.527 0 1 CFAF CNC(=O)[C@H]1C[C@@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1 587236371 VMIORRWUPOYMSW-BQBZGAKWSA-N 284.146 2.719 0 1 CFAF Cc1cc2nc(-c3ccc(CC(=O)O)c(N)c3)[nH]c2cc1F 587250343 SGDJKORJHQGEJP-UHFFFAOYSA-N 299.305 2.887 0 1 CFAF COc1c(OCC=C(C)C)cc2oc(=O)ccc2c1O 14776093 GMMBRTQVBAGPHK-UHFFFAOYSA-N 276.288 2.852 0 1 CFAF biogenic,in-vitro CO[C@@]1(C)c2c(C=C(C)C)ccc(C=O)c2C[C@@H]1O 15118719 KMSQYTBBXIHDHE-GOEBONIOSA-N 260.333 2.701 0 1 CFAF CC(C)[C@H]1Cc2n[nH]c(=O)c3cccc4[nH]c(c2c43)C1 150203425 WELSPTLZWKCYMB-SECBINFHSA-N 267.332 2.775 0 1 CFAF COC(=O)C/C=C1/c2ccccc2OC[C@H](OC)[C@@H]1C 169342008 APVLMEMJLXYXSR-HUUIHGMVSA-N 276.332 2.677 0 1 CFAF COCC(=O)NC[C@H]1CCc2ccc3ccc(OC)cc3c21 1857653698 QCENXOASTJWJCD-CQSZACIVSA-N 299.370 2.641 0 1 CFAF Nc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2sccc12 3008 QFTKAOIMHAWUBL-UHFFFAOYSA-N 282.328 2.715 0 1 CFAF CON1C(=O)C2(CCCCC2)C(=O)[C@]12C=C[C@H](C)CC2 1628820 BUFHUBGYZDDJBC-BLLLJJGKSA-N 277.364 2.635 0 1 CFAF CC(C)n1nc(-c2ccc3ccccc3c2)c(C(N)=O)c1N 103252495 ORFIZKPIZQRDII-UHFFFAOYSA-N 294.358 2.965 0 1 CFAF O=C(O)c1cc2cc(OCCn3ccnc3)ccc2s1 29394718 UVGNTQCAJVHWIK-UHFFFAOYSA-N 288.328 2.875 0 1 CFAF C=Cc1ccc([C@@H]2C[C@H]3CC[C@@H](N3)[C@H]2C(=O)OC)cc1 101127063 KHYFCJWXLVZFLY-QXSJWSMHSA-N 271.360 2.727 0 1 CFAF CN1CCC[C@H]1COc1c(F)c(F)c(F)c(F)c1F 26379442 RQJRUKUSPZONMH-LURJTMIESA-N 281.224 2.855 0 1 CFAF Fc1ccccc1Cn1nnc2c(NCC3CC3)nccc21 27410813 JMDGVBMURAQHAR-UHFFFAOYSA-N 297.337 2.836 0 1 CFAF C[C@H]1Oc2cc(O)ccc2N=C1c1ccc(O)cc1 53150177 LBUVQMLHJOQGMT-SECBINFHSA-N 255.273 3.000 0 1 CFAF C[C@H](C(=O)O)c1cc(O)c2c(c1)CCc1ccccc1C2=O 26401116 NTAPIDGZYXWUBJ-JTQLQIEISA-N 296.322 2.910 0 1 CFAF c1ccc(CCN2c3ccccc3C[C@H]2C2=NCCN2)cc1 29340420 MUVWVPJRKPGWFG-SFHVURJKSA-N 291.398 2.662 0 1 CFAF CO[C@H](C=C(C)C1CCC(C)(NC=O)CC1)[C@@H](O)C(C)C 2356801727 RRLYPTHPAZTQAZ-GMRIPVOYSA-N 297.439 2.660 0 1 CFAF O=C(COc1ccc2ccc(=O)[nH]c2c1)Nc1ccccc1 28867869 KOCHXIBLJQPROG-UHFFFAOYSA-N 294.310 2.546 0 1 CFAF Cc1c(Cc2ccccc2Cl)cnc2nc(N)nc(N)c12 45335308 UYZXLMHHKTUUBS-UHFFFAOYSA-N 299.765 2.742 0 1 CFAF Cc1ccc2[nH]c(=O)n(Cc3cc(F)cc(F)c3)c2c1 40917913 VAVJOKBSKVQCAB-UHFFFAOYSA-N 274.270 2.965 0 1 CFAF COC(=O)[C@@H]1CC[C@@]2(O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@H]1C3 238746761 NUUQUQJKWCSMQZ-APLKWVCFSA-N 266.381 2.763 0 1 CFAF Cc1sc2c(SCC(=O)O)ncnc2c1Cl 653728029 JMTOAQLDOBZKCY-UHFFFAOYSA-N 274.754 2.830 0 1 CFAF Cc1cccc2nc(-c3cc(N)c(N)cc3F)[nH]c12 587136223 CRIVHWIKCOFJBE-UHFFFAOYSA-N 256.284 2.842 0 1 CFAF N=c1[nH]cc2nc(-c3ccc(C(F)(F)F)cc3F)nc-2[nH]1 587110303 YXQUFOJATVRAPG-UHFFFAOYSA-N 297.215 2.542 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccc(C)nc1)[C@@H](C2)C3=O 587436960 WLGJFMZUCLNOSF-GUYCJALGSA-N 281.311 2.887 0 1 CFAF FC(F)(F)c1cnc2[nH]c(CCOCC3CC3)nc2c1 587783904 JCALYOINTDATAV-UHFFFAOYSA-N 285.269 2.946 0 1 CFAF Nc1c(F)cc(-c2nc3ccc(C(=O)O)cc3[nH]2)cc1F 587134733 LURJZWJHCZHZJS-UHFFFAOYSA-N 289.241 2.789 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc(C)nc1)O2 587393752 LGZBEBOVOZIJJP-INIZCTEOSA-N 283.331 2.556 0 1 CFAF CO[C@H](CC(C)C)[C@H]1c2ccsc2CCN1C(N)=O 962718969 VWMHKVISTDOFRI-DGCLKSJQSA-N 282.409 2.787 0 1 CFAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1cnccn1 963097029 FGRHIFCKVIGRQO-CZUORRHYSA-N 269.323 2.726 0 1 CFAF CCSc1cc(OC)c(C[C@@H](C)N)c(OC)c1 13641823 UBJBIUDLAZEZPQ-SECBINFHSA-N 255.383 2.706 0 1 CFAF Clc1cccc2c1N1CCCNCC[C@H]1CC2 1772614839 UAPJPSLLIFFBKM-GFCCVEGCSA-N 250.773 2.845 0 1 CFAF CNCc1cc2c(c(-c3ccccc3OC)c1)OCO2 1772574757 SDJRJZVZVFOJIP-UHFFFAOYSA-N 271.316 2.810 0 1 CFAF Cc1n[nH]c(C)c1-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 1772588254 ZQMBXOBVOWYUSE-UHFFFAOYSA-N 295.346 2.918 0 1 CFAF COc1cc2c(c3cc(O)c(C)cc13)C(=O)[C@H](O)C2(C)C 14612780 PYGWCJYJAFKWQP-INIZCTEOSA-N 286.327 2.697 0 1 CFAF biogenic,in-vitro C[C@]12C=CC(=O)N[C@@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 169325052 DOFRSNSWULWZJS-PMCTTXHBSA-N 289.419 2.645 0 1 CFAF Cc1cc(=O)cc2c3c1C[C@H]1[C@@H]3[C@]3(C=C2)C(=O)O[C@@H]1C[C@H]3C 1857616024 COPYYMNAMQESON-KEDVPVMESA-N 294.350 2.590 0 1 CFAF CN(C)CCNc1nc2cccc3cccc([nH]1)c32 26185027 OOOHSZJTRAEQOF-UHFFFAOYSA-N 254.337 2.690 0 1 CFAF CCCc1cc(=O)n2[nH]c(C)c(-c3ccccc3OC)c2n1 104276277 XTTKJUWHDHESAZ-UHFFFAOYSA-N 297.358 2.959 0 3 CFAF CCC[C@@]1(C)N=c2ccccc2=C2Nc3ccccc3N21 103918293 FPLCGMUONBGFGU-SFHVURJKSA-N 277.371 2.834 0 3 CFAF Cc1nn(C)c2c1C(c1cccc(Cl)c1)=NCCN2C 28095614 BIKRIKSKVRMXBL-UHFFFAOYSA-N 288.782 2.669 0 1 CFAF CC1(C)CC2=C(C(=O)O)[C@H]3CC[C@@](C)(OC3=O)[C@@H]2C1 2356852038 QMOVPXWMDLSURK-FFTROKDMSA-N 264.321 2.529 0 1 CFAF Cc1nnc(N)nc1/C=C/c1c(O)ccc2ccccc12 73406230 RNOYWVKBBRCCNT-BQYQJAHWSA-N 278.315 2.791 0 1 CFAF O=c1[nH]c2ccc(CN3CCCCC3)cc2n2cccc12 43013744 UDWQFEJAUMDIKH-UHFFFAOYSA-N 281.359 2.767 0 1 CFAF CCOC(=O)c1cnc2c(ccn3cc(C(C)C)nc23)c1O 84617869 MQFTUAFRLDOXOT-UHFFFAOYSA-N 299.330 2.888 0 1 CFAF C[C@@H]1CC[C@@H]2C(C)(C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32O4 195249826 DETKYIOHRCKRIT-HJCHTWOISA-N 280.364 2.853 0 1 CFAF CO[C@]12C=C[C@@H](CC1)[C@H]1C(=O)c3c(C)c(C)n(C)c3C(=O)[C@@H]12 195483313 NDTURTFDFKXIBS-VMXFXAJASA-N 299.370 2.618 0 1 CFAF COc1ccc2c(c1)OC[C@@H](Cc1ccc(C)nc1N)C2 91626398 STIDPSLFOTXPIY-GFCCVEGCSA-N 284.359 2.775 0 1 CFAF COc1ccc(/N=c2\oc(C)cc(O)c2C(C)=O)cc1 617969718 OJDAXAGLXMJANL-NXVVXOECSA-N 273.288 2.737 0 1 CFAF C/C=C/C(=O)N1C(=O)C=CC[C@H]1/C=C/c1ccccc1 299831100 DINPMISJUMYNFQ-YJEKJRMGSA-N 267.328 2.960 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ncc(C)s1)[C@@H](C2)C3=O 587453146 UYLFNGPOJWSTNW-IINYFYTJSA-N 287.340 2.949 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(O)cc(O)c1)O2 587403614 JNNPGBMUSBZKFX-KRWDZBQOSA-N 299.326 2.869 0 1 CFAF CCc1cc(O)ccc1-c1ccc2c(C(N)=O)n[nH]c2c1 584905407 MSKMVINDTCVTEK-UHFFFAOYSA-N 281.315 2.597 0 1 CFAF in-vitro COc1ccc2nc([C@@H](N)c3ccsc3)[nH]c2c1 587025936 TUJKUYQMZRPDGL-LBPRGKRZSA-N 259.334 2.681 0 1 CFAF COC(=O)c1ccc2nc(-c3ccc(C)cc3OC)[nH]c2n1 587926378 YICTZYWBRGWIMZ-UHFFFAOYSA-N 297.314 2.729 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(COCc3ccccc31)O2 587407411 IENLSVQZKDQBOG-SFHVURJKSA-N 295.338 2.968 0 1 CFAF CC(C)C[C@@H]1CCc2cc3c(O)nc(O)nc3nc2C1 587562346 XSNAJUHDUCGBTG-VIFPVBQESA-N 273.336 2.587 0 1 CFAF C=Cn1ncc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587433189 WCGSPOBFDLHUGP-PXAZEXFGSA-N 296.326 2.789 0 1 CFAF CC(C)O[C@@H]1OC(=O)C(Cl)=C1Nc1ccc(F)cc1 1857768745 YMWFXPQKPCLMMY-CYBMUJFWSA-N 285.702 2.996 0 1 CFAF CCc1cc2c(C(F)(F)F)cc(=O)[nH]c2cc1N 14968341 ZBIQQSQATQLTTL-UHFFFAOYSA-N 256.227 2.692 0 1 CFAF COc1ccc2c(c1)[C@H](n1c(C)ccc1C)C(=O)N2C 206027627 QRXABULRPGALLG-HNNXBMFYSA-N 270.332 2.679 0 3 CFAF CCc1nc(C)nc2cc(-c3ccc(OC)cc3)nn12 26495237 ACHRETBVUXNTKI-UHFFFAOYSA-N 268.320 2.671 0 1 CFAF CCc1nc2nc(C)cc(NCc3ccccc3OC)n2n1 6823048 GFAGBEQIZHMUDP-UHFFFAOYSA-N 297.362 2.616 0 1 CFAF CCOC(=O)[C@@H]1C(=O)C[C@@H](C(C)(C)C)N[C@H]1C(C)(C)C 103221635 WDULTXCKYVVYNM-YNEHKIRRSA-N 283.412 2.558 0 1 CFAF C1=C(c2ccc3nccnc3c2)C[C@@H]2CNC[C@@H]1C2 101576507 HGGAFEZREIVLAZ-VXGBXAGGSA-N 251.333 2.643 0 1 CFAF c1ccc(CNCCOCCNCc2ccccc2)cc1 103279731 PGEYIIVEVARHEZ-UHFFFAOYSA-N 284.403 2.583 0 1 CFAF OCCOCc1c(-c2ccccc2)nc2ccccn12 29560961 LWFNQIZRZQLFQF-UHFFFAOYSA-N 268.316 2.510 0 1 CFAF CC[C@H](C)[C@H](O)C(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 103225564 HYZSUSXJXFZXLC-ZWEPEPIOSA-N 267.413 2.724 0 1 CFAF c1ccc([C@@H]2Cc3nccn3C2)c(-c2ncco2)c1 40979456 MIWWMVGPFZMLEG-LLVKDONJSA-N 251.289 2.878 0 1 CFAF Cc1cc(=O)oc2cc(S[C@H]3CCOC3=O)ccc12 82153089 FPDVIZHRROOBHG-LBPRGKRZSA-N 276.313 2.509 0 1 CFAF COc1ccc(C2=[N+]([O-])c3cc(C)ccc3C2=O)cc1 45254371 JBDZQWPSMFCXKV-UHFFFAOYSA-N 267.284 2.831 0 1 CFAF CCCCc1cccc(COC(=O)[C@H](O)CC)c1 95577658 JYWPNLMJIJOXGJ-CQSZACIVSA-N 250.338 2.843 0 1 CFAF CC(C)C[C@H]1O[C@@H](C)CC2=C1C(=O)OC(C)(C)O2 95600704 JMZRFXRDOXECSW-VHSXEESVSA-N 254.326 2.774 0 3 CFAF CC(C)C[C@H]1O[C@H](C)CC2=C1C(=O)OC(C)(C)O2 95600703 JMZRFXRDOXECSW-NXEZZACHSA-N 254.326 2.774 0 3 CFAF CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(O)c(N)c1 96934798 HKHPSWPNAPYTEJ-MRXNPFEDSA-N 295.342 2.672 0 1 CFAF CC[C@@H](C)c1csc(N(C)C(=O)C2=NC(=O)N=N2)n1 618012889 CDIOXKJNOFRXSL-ZCFIWIBFSA-N 279.325 2.604 0 1 CFAF Cc1cnn(C(=O)NCCCCc2ccccc2)c1 299825110 CNJTYYSAEAUODO-UHFFFAOYSA-N 257.337 2.772 0 1 CFAF CC[C@]1(c2cnn(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587390067 FSIMVYDXTTWJRI-MRXNPFEDSA-N 285.347 2.581 0 1 CFAF CCOCCOCc1nc2c(Cl)c(Cl)cnc2[nH]1 587778879 RIVRVCRVANSTTQ-UHFFFAOYSA-N 290.150 2.818 0 1 CFAF Oc1ncnc2[nH]c(Cc3ccccc3C(F)(F)F)nc12 587106408 AXMBKBGTLQBUTG-UHFFFAOYSA-N 294.236 2.668 0 1 CFAF CCOC(=O)[C@H](F)c1[nH]c2c(C(=O)O)cccc2c1C 587638276 VRDWKVCMWRIACS-SNVBAGLBSA-N 279.267 2.748 0 1 CFAF C/C(=C/c1nc2c(O)nc(O)nc2[nH]1)C1CCCCC1 587969480 XXKVMESZYQSHRT-FPLPWBNLSA-N 274.324 2.748 0 1 CFAF Cc1ncc(CNc2ccc(C(F)(F)F)cc2)c(=N)[nH]1 1857620090 LWFQPZTXBWBJHI-UHFFFAOYSA-N 282.269 2.828 0 1 CFAF c1cnc2c(n1)Nc1cc(CN3CCC3)ccc1S2 135812554 JCLAXHNRDYADEG-UHFFFAOYSA-N 270.361 2.891 0 1 CFAF O=C(N[C@@H]1CCc2[nH]c3ccccc3c2C1)C(F)(F)F 13777720 JYDZPCYSHNAIFO-MRVPVSSYSA-N 282.265 2.704 0 1 CFAF COc1ccc2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1 14807441 UAESYLAPUNIHOF-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF biogenic,in-vitro CC(C)[C@H](CO)NCc1cccc(-c2ccccc2)n1 204412464 SORVLDDEIWMQLI-KRWDZBQOSA-N 270.376 2.855 0 1 CFAF CC(=O)Cc1nc2ccccc2c(=O)n1-c1ccccc1C 1849284 BISZUGFDMJKJJQ-UHFFFAOYSA-N 292.338 2.826 0 1 CFAF COc1cccc(CNC(=O)c2occc(=S)c2O)c1 59114895 YGBCWTQNPVZHQL-UHFFFAOYSA-N 291.328 2.653 0 1 CFAF O=C1C[C@H]2CCC[C@@](S(=O)(=O)c3ccccc3)(C1)C2 29463482 CKCDTTSVFVFNKN-DOMZBBRYSA-N 278.373 2.752 0 1 CFAF Cc1ccc2nc3c(O)n4c(nc-3c2c1)SCC4 101489821 XUVVQGDDXQUQMZ-UHFFFAOYSA-N 257.318 2.656 0 1 CFAF O=C(NCCCCCn1cncn1)c1ccc(Cl)s1 25988481 PWNDLOLNRQQZBN-UHFFFAOYSA-N 298.799 2.593 0 1 CFAF C[C@@H]1CC(=O)c2c(coc2-c2c(O)cccc2O)[C@@H]1O 49112264 ONTQFVIAKQPTQW-NXSYQRQQSA-N 274.272 2.614 0 1 CFAF N=C(N)c1ccc(-c2ccc(-c3ccco3)o2)nc1 98083017 PMZSCKMLQPLUNU-UHFFFAOYSA-N 253.261 2.886 0 1 CFAF O=C1OC[C@H](c2ccccc2)N1c1ccnc(NC2CC2)n1 142140810 ZYNGTSYWEAZXAV-CYBMUJFWSA-N 296.330 2.749 0 1 CFAF C[C@@H]1CN([C@H]2CCCC[C@@H]2O)CCN1c1ccccc1 253634677 IKPMULIIVRGEMT-PVAVHDDUSA-N 274.408 2.501 0 1 CFAF C[C@@H](NCCC(=O)c1ccccc1)[C@@H](O)c1ccccc1 473135805 LGFZVYNYVMSWSI-RDTXWAMCSA-N 283.371 2.971 0 1 CFAF CCOC(=O)c1ncn2c1c(C)c(C(=O)O)c1ccccc12 653837682 PVCJLVNYAOGTPK-UHFFFAOYSA-N 298.298 2.671 0 1 CFAF Nc1cc(F)c(-c2nc3cc(F)c(F)cc3[nH]2)cc1N 587137346 VUFNLRLAMNGDQJ-UHFFFAOYSA-N 278.237 2.812 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccns1)O2 587412904 FAHZQWVEKFMISP-AWEZNQCLSA-N 274.345 2.914 0 1 CFAF CC(C)Oc1ccc2nc(CC3CC(N)C3)[nH]c2c1 587255516 PYSSGVVNOJDACR-UHFFFAOYSA-N 259.353 2.630 0 1 CFAF Cc1ccc2ccccc2c1-c1nc2c(O)nc(=N)[nH]c2[nH]1 586883227 JDELKCKXCSEJDI-UHFFFAOYSA-N 291.314 2.600 0 1 CFAF N=c1[nH]ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 587018320 YYCAGODCGISXNE-UHFFFAOYSA-N 297.343 2.678 0 1 CFAF Cc1ccc2c(ccc3nc(Cc4ccc(=N)[nH]c4)[nH]c32)n1 587254823 QCMVHMVWVVIEJE-UHFFFAOYSA-N 289.342 2.818 0 1 CFAF CCC(=O)[C@@]1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445465 JZTDBTDOQFWMER-BZNIZROVSA-N 274.316 2.571 0 1 CFAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]1OC)CC2=O 587482118 RYYXYRCUZKUTNQ-ZBFHGGJFSA-N 276.332 2.858 0 1 CFAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)NCc1ccco1 587638825 WAORLYGTIBZLBY-UHFFFAOYSA-N 298.298 2.698 0 1 CFAF Nc1ncc(Cl)nc1-c1nc2cccc(Cl)c2[nH]1 587086795 LVFHNUOGJHPDCR-UHFFFAOYSA-N 280.118 2.909 0 1 CFAF Cc1cc(-c2ccc3ncc4nnn(C)c4c3c2)ccn1 1772570780 HRPVUZOOJOMDCC-UHFFFAOYSA-N 275.315 2.887 0 1 CFAF O=C1COC(c2ccc(/C=C/c3ccccc3)cc2)=NN1 1772587959 GEWXFXLBEKKUCS-VOTSOKGWSA-N 278.311 2.665 0 1 CFAF COc1ccc(SC)c2c1C[C@@H]1[C@@H](C2)O[C@H](C)CN1C 13449147 AIHRHPNPPYSHMX-WDBKCZKBSA-N 293.432 2.603 0 1 CFAF CCOC(=O)N1CCC(Nc2cc(OCC)ccn2)CC1 13580409 KGIKZYZMTIMJTM-UHFFFAOYSA-N 293.367 2.513 0 1 CFAF CN1CCN(c2nc3ccccc3c3c2CSCC3)CC1 13779698 IHNIBNRIOAXWPO-UHFFFAOYSA-N 299.443 2.776 0 1 CFAF COc1cc(O)c2c(c1)O[C@@H]1c3ccc(O)cc3OC[C@@H]21 14820523 RUSDVGLVSNJFOG-MEDUHNTESA-N 286.283 2.716 0 1 CFAF CC1(C)C[C@]2(C)[C@@H]1[C@@H]1C[C@]1(C)[C@@H](O)CC[C@@]2(C)O 2356424874 XLQPEBGTWDBJAW-QXTAMJNMSA-N 252.398 2.971 0 1 CFAF COC(=O)[C@H]1[C@@H](C(C)C)O[C@@H](C(C)C)O[C@H]1C(F)(F)F 6005614 LRHVPWQZWWKJHO-BTQIBKBOSA-N 298.301 2.760 0 1 CFAF COc1ccc([C@@H]2CC(=O)c3c(O)cccc3O2)cc1O 6018545 RLUWMAPPHYMOQC-HNNXBMFYSA-N 286.283 2.813 0 1 CFAF Cc1cnc(NCCCN(C)C)c2c3cnccc3n(C)c12 29398178 PEHVDKRBWJWTRV-UHFFFAOYSA-N 297.406 2.794 0 1 CFAF O=C1NC(=O)[C@@]2(CC[C@@H](c3ccccc3)c3ccccc32)N1 26479834 RJEIWZCFOOHJNR-UGSOOPFHSA-N 292.338 2.647 0 1 CFAF Cc1cccc(OC2=NS(=O)(=O)c3ccccc32)c1 64502332 LONDIFPBTIIHFT-UHFFFAOYSA-N 273.313 2.523 0 1 CFAF CCCCCC=CCCC[C@@H](C(=O)O)[C@@H](O)CC(=O)O 2356439613 XHJITGZAWUNULF-OLZOCXBDSA-N 286.368 2.830 0 1 CFAF Nc1nn2c(-c3ccccc3)nnc2c2ccccc12 33891497 NEDQMTDMHRJKRO-UHFFFAOYSA-N 261.288 2.527 0 1 CFAF CCC[C@H](O)c1ccc(O[C@H]2CCOC2)c(OC)c1 40872650 XHDUWXZQVUSXPT-STQMWFEESA-N 266.337 2.696 0 1 CFAF Nc1nn(C(=O)Nc2c(F)cccc2F)c2ccccc12 40835101 CWARILVGRFFNPY-UHFFFAOYSA-N 288.257 2.977 0 1 CFAF NC(=O)c1cncc(Cc2ccc(-c3ccccc3)nc2)c1 96282872 YHRFGYWVBGCSDE-UHFFFAOYSA-N 289.338 2.833 0 1 CFAF COc1cc2oc(=O)ccc2cc1C/C=C/C(C)(C)O 238734243 BWNRXRQSFMRLCZ-XBXARRHUSA-N 274.316 2.671 0 1 CFAF Cc1cc(Nc2nc(N3CCCCC3)nc3c2CCC3)n[nH]1 299868925 SSPMMVCULALLGW-UHFFFAOYSA-N 298.394 2.731 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccc(C)[nH]1)[C@@H](C2)C3=O 587440185 ZVWMUWCSGYTEHK-MEDUHNTESA-N 269.300 2.820 0 1 CFAF CC(C)c1ccc(O)c(-c2ccc3c(O)nc(O)nc3n2)c1 587560742 JSOXTQUFTMKNCP-UHFFFAOYSA-N 297.314 2.932 0 1 CFAF CC1(C)OC(=O)C[C@H]1c1nc2cnc3ccccc3c2[nH]1 586910338 OOPYKDZYFSUWLF-JTQLQIEISA-N 281.315 2.920 0 1 CFAF c1nncc2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12 586886865 DNNHYIMFVPBKDA-KIGUWFBYSA-N 254.337 2.821 0 1 CFAF Cc1csc(-n2ncc3ccc(Cl)cc3c2=O)n1 587653442 HKZULANGEKCTSL-UHFFFAOYSA-N 277.736 2.804 0 1 CFAF Cc1cc(O)n(-c2c(N)cccc2Br)c1O 587937490 SMIIKLJNPDINHY-UHFFFAOYSA-N 283.125 2.542 0 1 CFAF Oc1cccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c12 586901286 GOPSAJXHGNIHIP-FZMZJTMJSA-N 266.300 2.838 0 1 CFAF CCOC(=O)C(C)(C)Oc1cccc(/C=C/[N+](=O)[O-])c1 116490929 RMFJHXUTFVYCAQ-CMDGGOBGSA-N 279.292 2.655 0 1 CFAF Cc1cccc2c1/C(=C/c1[nH]cc3c1CCOC3=O)C(=O)N2 13490193 CTDIFTBJDVQHSA-XFFZJAGNSA-N 294.310 2.529 0 1 CFAF COc1ccc2[nH]cc(/C=C3\SC(=O)NC3=O)c2c1 19909862 UHCNXPRYGQVPQB-WCIBSUBMSA-N 274.301 2.500 0 1 CFAF O=C(O)c1cc(-c2ccc(Cl)cc2F)ncn1 206195521 RCATYXYYQZQIQM-UHFFFAOYSA-N 252.632 2.634 0 1 CFAF CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC1CCCCC1 29340647 IODQQCZNYSEROJ-KBMXLJTQSA-N 298.471 2.588 0 1 CFAF CC1=CC[C@H](O)C(C)=C[C@@H]2OC(=O)[C@H](C)[C@@H]2CC1 2356545898 RLHPCSSGTQNSJN-RFGFWPKPSA-N 250.338 2.602 0 1 CFAF CC1=C[C@@H](CC2=CC(=O)O[C@@H]2O)[C@H](C(C)C)CC1 40918667 XSUQCIIWOCZPHC-WHOFXGATSA-N 250.338 2.807 0 1 CFAF Fc1ccccc1Oc1nc2ccsc2c2nnnn12 84689641 AXXABPROKQRYCL-UHFFFAOYSA-N 287.279 2.665 0 1 CFAF COc1ccc2sc(C(=O)N(C)OC)cc2c1 149411777 GQVSWGAIIWEDCW-UHFFFAOYSA-N 251.307 2.543 0 1 CFAF COc1ccc(C2=NO[C@@H](Cc3ccccc3)O2)cc1 95583121 ICRXNHZHMHYBPV-HNNXBMFYSA-N 269.300 2.972 0 1 CFAF COc1cc(/C=C/C(=O)Oc2ccc(O)cc2)ccc1O 238765291 VPTARALPQYFNJF-YCRREMRBSA-N 286.283 2.725 0 1 CFAF COC(=O)/C(C)=C/C[C@@]12CCN(C)[C@@H]1Nc1ccccc12 238736636 IENBNBOKQXSCQE-MVIRQZGPSA-N 286.375 2.521 0 1 CFAF COc1cccc(-c2nc3cc4c(cc3[nH]2)OCO4)c1O 587785589 DGURKQDCTBYQCJ-UHFFFAOYSA-N 284.271 2.673 0 1 CFAF CCCc1sc(=N)[nH]c1-c1nc2ccc(O)cc2[nH]1 587013382 NLOMRIPJNURDNK-UHFFFAOYSA-N 274.349 2.757 0 1 CFAF N=c1cc[nH]cc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 587250310 ZXTZJYHXVPYSPX-UHFFFAOYSA-N 280.665 2.969 0 1 CFAF CN1CC[C@](C)(O)[C@H](c2cc3c4c(cccc4n2)CC3)C1 587212314 NBGRVGFVWDMRLV-KSSFIOAISA-N 282.387 2.504 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3cccnc31)O2 587393859 APHYSGVBWIGDBC-QGZVFWFLSA-N 296.326 2.615 0 1 CFAF CCCCNc1nc(N)nc2ccc(C(C)=O)cc12 205021090 LOZSQLGJUWIREQ-UHFFFAOYSA-N 258.325 2.627 0 1 CFAF COc1ccc2c(ccn2SC(=S)N(C)C)c1 1857559506 DYYALNZJFJOHMG-UHFFFAOYSA-N 266.391 2.993 0 1 CFAF CN1C=Cc2ccccc2[C@H](c2ccccc2)[C@H](O)C1=O 13399000 VRSSZILNAITUII-IRXDYDNUSA-N 279.339 2.622 0 1 CFAF endogenous,in-man C[C@@H](/N=c1\c(O)c(O)\c1=N/c1ccccc1)C(C)(C)C 13806360 CGDBDWWYBCEOMR-VDCNCBCQSA-N 272.348 2.541 0 1 CFAF CN1CC[C@@H](OCC(O)(c2ccccc2)c2ccccc2)C1 169325099 NGHXZFIAOUJPBC-GOSISDBHSA-N 297.398 2.643 0 1 CFAF O=C(c1ccc(-c2c(F)cccc2F)o1)n1cncn1 200034569 WWEFTPPMRBEDFY-UHFFFAOYSA-N 275.214 2.505 0 1 CFAF CC1=CC2=NC[C@@H](C(=O)c3ccc(F)cc3)CN2C=C1 3987288 JFZWLLLDKUNOJK-CYBMUJFWSA-N 270.307 2.812 0 1 CFAF COC(=O)[C@H]1[C@@H](c2ccc(C)cc2)C[C@H]2CC[C@@H]1N2C 6522750 MMKZDDDDODERSJ-WCVJEAGWSA-N 273.376 2.734 0 1 CFAF CN(C)C[C@@H]1C[C@H]2c3cccnc3Cc3ccccc3N2O1 27104297 VPZDYZMLWKUTOB-KSSFIOAISA-N 295.386 2.799 0 1 CFAF CC1(C)C[C@@H](O)C[C@](C)(CNC(=O)c2ccccc2O)C1 27077071 HRXCLBHABYXFES-PXAZEXFGSA-N 291.391 2.699 0 1 CFAF CC[C@@H](C)C(=O)c1c(O)cc(OCC=C(C)CO)cc1O 2356695109 UAUIMUAUJLWUSY-LLVKDONJSA-N 294.347 2.644 0 1 CFAF C[C@@H]1CC[C@@H]2C[C@H](C(=O)O)[C@@H]3C[C@](C)(C(=O)O)C[C@@]312 2356722163 ZKEYYASKEXLLCC-QUVUXRKSSA-N 266.337 2.624 0 1 CFAF CO[C@H](C=C[C@@H](C)C1CCC(C)(NC=O)CC1)C(C)(C)O 2356802171 RXOQPKMUWPJMLI-HCEZTOJASA-N 297.439 2.660 0 1 CFAF Oc1ccc2c(c1)-c1c3c(cc4c1[C@@H](C2)NCC4)OCO3 64540319 MAWRLMCDVKBYJB-CYBMUJFWSA-N 281.311 2.531 0 1 CFAF c1ccc2cc(-n3nnnc3-c3ccncc3)ccc2c1 71281743 FIRFEZGHWSFFGR-UHFFFAOYSA-N 273.299 2.878 0 1 CFAF C[C@H]1CC(=O)NN=C1c1ccc(Nc2ccccn2)cc1 40466978 WEIKMIGOLXMWPC-NSHDSACASA-N 280.331 2.685 0 1 CFAF C[C@@H]1C/C=C/CCC(=O)N[C@H](c2ccccc2)COC1=O 95574822 AFIXJTADPDHGEE-MWDOINLKSA-N 287.359 2.763 0 1 CFAF Cn1c(-c2ccc3c(c2)OCO3)cc(=O)c2c(O)cccc21 238774052 ULSBACPZHXOAKM-UHFFFAOYSA-N 295.294 2.640 0 1 CFAF N[C@@H](N=O)c1ccc2nc(C(F)(F)C(F)F)[nH]c2c1 587089110 JDYGBWSXOPXUPP-ZETCQYMHSA-N 276.193 2.644 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cncc1F)O2 587388004 YVSNJUQQIZLOEV-CYBMUJFWSA-N 290.269 2.957 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cccc(F)n1)[C@@H](C2)C3=O 587429686 WIMNHRMTTAPGEP-MGPLVRAMSA-N 285.274 2.718 0 1 CFAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc[nH]c(=N)c2[nH]1 587930820 PWPRDIJAYNENNL-DIFFPNOSSA-N 294.358 2.824 0 1 CFAF Ic1cnc2[nH]c(CC3CC3)nc2c1 587960247 WLMLGFDNTSJWGA-UHFFFAOYSA-N 299.115 2.515 0 1 CFAF COC(=O)CC=C1c2ccc(OC)cc2[C@@H](OC)[C@@H]1C 1857623456 LEYPXOBPYVCVHC-HWPZZCPQSA-N 276.332 2.979 0 1 CFAF CCCCCC[C@H](O)c1c(O)ccc(O)c1CO 169352303 UAIOXSJSOUCTHE-LBPRGKRZSA-N 254.326 2.594 0 1 CFAF CCN(CCc1nc2cccnc2[nH]1)C(=O)c1ccccc1 1857559157 SJCMNAYHILHKKY-UHFFFAOYSA-N 294.358 2.663 0 1 CFAF CC1=C2CC[C@]3(C)CCC[C@](C)(O)[C@H]3[C@H]2OC1=O 2356487275 VLDRHPYYCMRAEB-JURCDPSOSA-N 250.338 2.580 0 1 CFAF COc1ccccc1CNC(=O)c1ccc2snnc2c1 6809213 UGMTVKCPOGINRV-UHFFFAOYSA-N 299.355 2.630 0 1 CFAF O=C(C=CC=Cc1ccc(O)cc1)N1CCCCC1 2356380770 QDAARMDLSCDBFU-UHFFFAOYSA-N 257.333 2.974 0 1 CFAF CCC[C@]1(C)N=c2ccccc2=C2Nc3ccccc3N21 103918291 FPLCGMUONBGFGU-GOSISDBHSA-N 277.371 2.834 0 3 CFAF Nc1nc(=O)[nH]c2c1[C@@H](c1ccccc1)c1ccccc1O2 103290764 UHUBVRNIKOTRJX-ZDUSSCGKSA-N 291.310 2.638 0 1 CFAF O[C@]1(Cc2ccc(Cl)cc2)c2ccccc2C2=NCCN21 26255814 FNLMEDGQBVFDCQ-QGZVFWFLSA-N 298.773 2.804 0 1 CFAF CCn1cc(C(=O)O)c(=O)cc1/C=C/c1ccsc1 27324038 WWOMHEXTNCPTJH-ONEGZZNKSA-N 275.329 2.798 0 1 CFAF O=C(/C=C/C=C/c1ccc(O)cc1)N1CCCCC1 34279693 QDAARMDLSCDBFU-YPCIICBESA-N 257.333 2.974 0 1 CFAF COc1ccc([C@@H]2SCC(=O)Nc3onc(C)c32)cc1 73220687 VLKRFDLQQNWLTH-ZDUSSCGKSA-N 290.344 2.766 0 1 CFAF Cc1coc2cc(-c3cc(O)cc(O)c3)oc(=O)c12 45357799 ZOUCVSSPGCRMBQ-UHFFFAOYSA-N 258.229 2.773 0 1 CFAF CCCCCc1cc(C(=O)OC)c(CCC(=O)OC)o1 238777655 RBCVNZATRVPSFJ-UHFFFAOYSA-N 282.336 2.905 0 1 CFAF Cc1nc2nc(N3CCC[C@@H]4CCCC[C@H]43)ccc2[nH]c1=O 141164146 VRWPWNJEFRFRTF-GXTWGEPZSA-N 298.390 2.786 0 1 CFAF Cc1cc2ccnc(N[C@H]3C[C@@H]4CC[C@H](C3)N4C)c2nc1O 473134300 HBGWEOSHQILMON-ZSOGYDGISA-N 298.390 2.681 0 1 CFAF CCNC(=O)Nc1ccc(C(=O)Nc2cccc(C)c2)cn1 299831727 QWMFKYYKCBFADM-UHFFFAOYSA-N 298.346 2.784 0 1 CFAF NC[C@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 473150181 LCQJTGTYLDIXSS-DLBZAZTESA-N 275.392 2.836 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nc(C)co1)O2 587393816 NDWUWGNXQNWCKF-HNNXBMFYSA-N 272.304 2.754 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(F)nc1)O2 587387997 YJZQNXMZLVXLBV-MRXNPFEDSA-N 286.306 2.992 0 1 CFAF N[C@@H](N=O)c1ccc2nc([C@H]3CCCC(=O)CC3)[nH]c2c1 586883646 CUKBDQATNNXDLE-XPTSAGLGSA-N 286.335 2.903 0 1 CFAF C[C@H](c1ccc(N(C)C)cc1)c1nc2c(N)ccnc2[nH]1 587196551 VMUVAHDUWQWPGR-SNVBAGLBSA-N 281.363 2.758 0 1 CFAF FC(F)C(F)(F)c1nc2cncc(Cl)c2[nH]1 587089612 VVLJHPCTVJQNPI-UHFFFAOYSA-N 253.586 2.968 0 1 CFAF C[C@@H](c1nc2ccc(C(=O)O)cc2[nH]1)n1cc(Cl)cn1 587082074 JOSKWTKPAFEEGT-ZETCQYMHSA-N 290.710 2.720 0 1 CFAF CC(=O)c1ccccc1[C@H]1NCCc2ccc(O)cc21 963343854 XNJAHCXCKSIBSU-QGZVFWFLSA-N 267.328 2.830 0 1 CFAF CCCC[C@@H](CCO)Nc1nc(N)nc2cccc(C)c12 205017620 IENQNLKTULATIS-LBPRGKRZSA-N 288.395 2.874 0 1 CFAF O=C(O)c1ccnc(-n2nccc2CCc2ccccc2)c1 146782849 MVDDWOUDRGQZND-UHFFFAOYSA-N 293.326 2.751 0 1 CFAF CN(C)[S@@](C)(=O)=Nc1ccc(C(F)(F)F)cc1 1772641872 DJDQVWHUIUGEGT-KRWDZBQOSA-N 266.288 2.911 0 1 CFAF COc1ccc(CCc2cc(O)c(OC)c(O)c2)cc1 1772608838 LCUIFGBGYLXLCJ-UHFFFAOYSA-N 274.316 2.900 0 1 CFAF CC1CCC2(CC1)SC(N1CCNCC1)=NC2(C)C 1772637511 BGNJPEHIDGPLAQ-UHFFFAOYSA-N 281.469 2.722 0 1 CFAF CNc1ccc(NC(=S)N[C@@H](C)C(C)(C)C)cn1 13600644 RFDTYGWJTAAJEZ-VIFPVBQESA-N 266.414 2.844 0 1 CFAF COc1ccc2cccc(CCN(C)C(C)=O)c2c1 13738649 WAFITOYFMKERCL-UHFFFAOYSA-N 257.333 2.869 0 1 CFAF Cc1n[nH]c2sc(C(=O)NCc3ccccc3)cc12 28564935 KASGWSVWRRHWBU-UHFFFAOYSA-N 271.345 2.863 0 1 CFAF Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 100626304 IGZBMAFHMCJSPF-NEMWNAMBSA-N 293.366 2.861 0 1 CFAF Cc1[nH]cnc1Cn1ccc2c(c1=O)-c1ccccc1CC2 26974118 CPYCHRXUCFCFLI-UHFFFAOYSA-N 291.354 2.694 0 1 CFAF CC1=C[C@H](O)C[C@@H](C)C(=O)C[C@H](C(C)C)C(=O)C1 2356684720 WLHCFOUGUVMPPJ-FRRDWIJNSA-N 252.354 2.524 0 1 CFAF CCOC(=O)c1cccc2[nH]c3c(c12)C[C@@H](N(C)C)CC3 39214067 OPZWSXNGFNKQEN-NSHDSACASA-N 286.375 2.764 0 1 CFAF Oc1ccc(CO[C@H]2COc3cc(O)ccc3C2)cc1 238777844 FRZFMOIHZONFCZ-OAHLLOKOSA-N 272.300 2.618 0 1 CFAF OCC[C@@]12N[C@@H](Cc3ccccc31)[C@@H]1CCCC[C@H]12 253633755 NDYRQXAREGWAOX-MXASKKJJSA-N 257.377 2.599 0 1 CFAF C=CS(=O)(=O)Nc1cc(CC2CCCCC2)no1 618017494 LJODMLQCBADMNW-UHFFFAOYSA-N 270.354 2.683 0 1 CFAF N[C@@H](Cc1nc2ccnc(O)c2[nH]1)c1ccccc1Cl 587057879 SKMTVYCYCPUVNZ-JTQLQIEISA-N 288.738 2.559 0 1 CFAF COc1cc2nc([C@@H]3CC(=O)OC3(C)C)[nH]c2cc1F 586911176 QPCSBOOCNJELOS-ZETCQYMHSA-N 278.283 2.520 0 1 CFAF COC(=O)[C@H](C)Cc1cc2c3c(cccc3n1)CC2 587212966 DFJHMVSKQLKALU-SNVBAGLBSA-N 255.317 2.685 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cc(C)ccn1)[C@@H](C2)C3=O 587436619 SGCSUIMOGMFSOE-YVEFUNNKSA-N 281.311 2.887 0 1 CFAF COC(=O)C[C@H](C)Cc1nc2cc(C)cc(F)c2[nH]1 587787677 WABULIQAIKFNCU-SECBINFHSA-N 264.300 2.752 0 1 CFAF NC(=S)c1cncc(-c2cccc3[nH]ccc23)c1 1857612811 UBHVCRJMFNFAQN-UHFFFAOYSA-N 253.330 2.864 0 1 CFAF C[C@@H](c1cc2cc(Cl)ccc2o1)N(O)C(N)=O 13762774 BPZSEQWLJDZAQC-LURJTMIESA-N 254.673 2.917 0 1 CFAF C[C@H]1O[C@@]2(CCCC[C@@H]2Oc2cccc(Cl)c2)NC1=O 5735525 PSHBCUHYCLAGPZ-RIEGTJTDSA-N 295.766 2.893 0 1 CFAF CC(=O)c1ccc(OCCCc2c[nH]cn2)cc1F 13814599 UIKYKYZTIUNINC-UHFFFAOYSA-N 262.284 2.763 0 1 CFAF C[C@H]1C[C@H](C)CN(C[C@@H](O)COCc2ccccc2F)C1 15906123 SPIIONDFFFARTK-OFQRWUPVSA-N 295.398 2.681 0 1 CFAF C[C@@H]1C(=O)S[C@@](C)(Cc2ccc(F)cc2F)C1=O 169717846 JKBFWVGNESKGRB-CPFSXVBKSA-N 270.300 2.745 0 1 CFAF CC1=C[C@@H]2[C@H]([C@H](C)CO)CC[C@H](C(=O)O)[C@@H]2CC1 2356325412 XJQKXTUWCXCVTK-IKOXMDCHSA-N 252.354 2.698 0 1 CFAF [O-][n+]1cc(-c2ccc(Cl)cc2)[n+]([O-])c2c1CCCCC2 2985574 CFIZFNDEKCMDNW-UHFFFAOYSA-N 290.750 2.543 0 1 CFAF c1ccc(CCN2CCN=C2c2ccccc2)cc1 103198138 SQZOWIPZHIDIKT-UHFFFAOYSA-N 250.345 2.992 0 1 CFAF CCCCCNC(=O)[P@](=O)(O)[C@H](N)Cc1ccccc1 28702436 FKTMGCDQOYUCQL-ZDUSSCGKSA-N 298.323 2.684 0 1 CFAF CC(=O)[C@H](O)C[C@@H]1OCc2c(O)ccc(CC=C(C)C)c21 2356680945 ZHPRFHOTZYMSBB-CVEARBPZSA-N 290.359 2.812 0 1 CFAF C[C@H]1Cc2c(c(Cl)c(O)c(Cl)c2C(=O)O)O1 2356720345 XVIJGBVFPGZOOI-VKHMYHEASA-N 263.076 2.721 0 1 CFAF CC1=CC[C@]2(C[C@@H]1O)[C@H](C(=O)O)CC[C@@H]2C(C)C 2356723138 ZIOMQRRFPWLXDN-UKTARXLSSA-N 252.354 2.841 0 1 CFAF CC=C(C)C(=O)OCC=Cc1cc(OC)c(O)c(OC)c1 2356730439 GYADQQUPUOFTDO-UHFFFAOYSA-N 292.331 2.932 0 1 CFAF CN(Cc1ccccc1)C(=S)SCC1=CC(=O)OC1 71342097 NRFRMHZZHNBWFR-UHFFFAOYSA-N 293.413 2.620 0 1 CFAF Cc1ccc(C(=O)CNC(=O)Cc2ccc(F)cc2)cc1 49882970 FWXHFOIQMZBFCW-UHFFFAOYSA-N 285.318 2.676 0 1 CFAF COc1cc2c3c(c1)O[C@@H](CC[C@@H]1CCOC1)[C@@H](C2)C3=O 587453371 OAUPRDLGPKRLRU-HONMWMINSA-N 288.343 2.628 0 1 CFAF COc1ccc2nc(-c3ccc(OC)c(C)c3OC)[nH]c2n1 587788305 WXLOTVLWXJMTLJ-UHFFFAOYSA-N 299.330 2.959 0 1 CFAF Oc1nc(O)c2ccc(/C=C/c3cccs3)nc2n1 587563115 DWNQTWUHTFGFEK-HWKANZROSA-N 271.301 2.668 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C1(C(F)F)CC1)O2 587380808 AWFGTOYGIWWMOD-LLVKDONJSA-N 267.275 2.956 0 1 CFAF CCCc1c(O)ccc2c1O[C@H]([C@@H](C)COC)CC2=O 587479559 ISCZESGGQBMCKQ-BONVTDFDSA-N 278.348 2.961 0 1 CFAF Cc1cnc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)n1C 963105018 MNFVZACHWQFRFX-HOCLYGCPSA-N 285.366 2.978 0 1 CFAF CCOC[C@H]1CCC[C@@]12NCCc1c(C(=O)O)cccc12 963133922 UTVMLZMPTHMAMJ-SJKOYZFVSA-N 289.375 2.562 0 1 CFAF COc1ccc(-c2cc3cc(C)ccc3oc2=O)nn1 1857645609 PHEWYOXVDAYNDV-UHFFFAOYSA-N 268.272 2.567 0 1 CFAF Cc1sc2nc(N)nc(N)c2c1Cc1ccccc1 5891297 UBEKRQCLVPLZMA-UHFFFAOYSA-N 270.361 2.755 0 1 CFAF COc1c(O)ccc([C@H]2COc3cc(O)ccc3C2)c1O 14758759 HIUVABMNNOEWCC-SNVBAGLBSA-N 288.299 2.531 0 1 CFAF COc1ccc2c(c1O)O[C@H]1c3ccc(O)cc3OC[C@@H]21 14820607 JAAWOQQDCOFLRV-NHYWBVRUSA-N 286.283 2.716 0 1 CFAF CC(=O)n1cc(-c2c(O)n[nH]c2C)c2ccccc21 18125982 HCHHWOYUIPSLJH-UHFFFAOYSA-N 255.277 2.706 0 1 CFAF in-vitro CC(C)(C)N=c1cc(-c2ccnnc2)[nH]c2cnccc12 1857535435 FONHLIMSGATNPE-UHFFFAOYSA-N 279.347 2.719 0 1 CFAF C/C(=N\NC(=S)Nc1ccc(Cl)cc1)c1ccn[nH]1 108466628 GMUDXLCWUBAGOC-LZYBPNLTSA-N 293.783 2.774 0 1 CFAF CC(=O)NCCc1coc2ccc(OC(C)C)cc12 13781790 ZQQQWKMEGVGESW-UHFFFAOYSA-N 261.321 2.899 0 1 CFAF O=C1NCC[C@H]2c3cc(OCc4ccccc4)ccc3N[C@H]12 28820143 IWAQNTFYPGUTLP-YOEHRIQHSA-N 294.354 2.663 0 1 CFAF Nn1c(/C=C/c2ccccc2)nc2ccc(Cl)cc2c1=O 29411411 ULYWEXOQCSJLPX-RMKNXTFCSA-N 297.745 2.934 0 1 CFAF Cc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@]3(C)C2=O)c1 59578666 HQFQBZPCZUXJHZ-DMVWFOPNSA-N 267.328 2.697 0 1 CFAF C[C@H](c1ccc(O)cc1)[C@@H](O)c1cc(O)cc(O)c1 2356673210 JAZXHWIGGFTZDU-RFAUZJTJSA-N 260.289 2.641 0 1 CFAF C[C@H](CC1=C(CO)COC1=O)C1=CCC(C)(C)C1 34084084 ASKJTZIKSPCIKT-SNVBAGLBSA-N 250.338 2.605 0 1 CFAF endogenous,in-man COCCNc1nccc2[nH]c(-c3cccc(C)c3)nc12 74386653 YTGUZEUDNHBBIJ-UHFFFAOYSA-N 282.347 2.992 0 1 CFAF CCCn1cc(C(=O)O)c(=O)c2cc(F)c(Cl)cc21 39276032 CTANHWYQNDDIKB-UHFFFAOYSA-N 283.686 2.902 0 1 CFAF COc1ccc(/C=C/c2cc(O)ccc2O)cc1O 72116451 XDRRBFSAHVUUON-DUXPYHPUSA-N 258.273 2.982 0 1 CFAF CN1C[C@H]2CN(c3ccc(-c4ccccc4)cn3)C[C@H]2C1 40430448 YKCUHKQRSQKZMT-CALCHBBNSA-N 279.387 2.746 0 1 CFAF CC[C@@H](C[C@H]1COC(N)=N1)c1ccc(Cl)cc1 149272734 ZMLGXVRBGWPDON-CABZTGNLSA-N 252.745 2.937 0 1 CFAF Cc1nnc2n1-c1ccc(-c3cncc(F)c3)cc1CC2 145823608 ZPWWADPDFMLHOT-UHFFFAOYSA-N 280.306 2.875 0 1 CFAF Cn1ncc2ccc(C(=O)Nc3nnc(C4CC4)s3)cc21 653851602 ASGBLYAYFRYYAE-UHFFFAOYSA-N 299.359 2.555 0 1 CFAF COc1ccc(C[C@@H](C)c2nc3cncnc3[nH]2)cc1OC 587927397 TZOYPXZKHKQDFP-SNVBAGLBSA-N 298.346 2.716 0 1 CFAF COc1cc2c3c(c1)O[C@H](C1(C(F)F)CC1)[C@@H](C2)C3=O 587421871 MCWQFAHLFDQZJX-ZANVPECISA-N 280.270 2.857 0 1 CFAF COc1cccc([C@@H](C)Cc2nc3ncc[nH]c-3n2)c1 587933208 ZCYRDATUAJDXKP-JTQLQIEISA-N 268.320 2.659 0 1 CFAF Cc1nc(-c2c[nH]cc2-c2nc3ncc[nH]c-3n2)cs1 587021799 RFAORXPZGYARIU-UHFFFAOYSA-N 282.332 2.732 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)CC[C@@H]1CCCC[C@@H]31 587562404 ZMUQIBAPCGHVCR-DTWKUNHWSA-N 271.320 2.656 0 1 CFAF CCCc1c(O)ccc2c1O[C@@]1(CCCC1=O)CC2=O 587483635 RFZDTJGLVQYMJR-INIZCTEOSA-N 274.316 2.802 0 1 CFAF COc1ccc2c(c1)C[C@H](c1nc3ccnc(O)c3[nH]1)CC2 587945542 GBWVELDZTAJLAQ-LLVKDONJSA-N 295.342 2.945 0 1 CFAF COc1ccc(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 587946799 NFTINOOKPPZGLR-UHFFFAOYSA-N 299.305 2.711 0 1 CFAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ncc[nH]c-2n1 587927807 UVSUDGZRFVEIHP-LLVKDONJSA-N 298.346 2.864 0 1 CFAF COc1nccc2nc(-c3cc4cc(N)ccc4o3)[nH]c12 587252823 OJZKBLNNEMHSGP-UHFFFAOYSA-N 280.287 2.962 0 1 CFAF C[C@]12CC(=O)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 13466832 NGTDIPICRMVXOC-XWJBARJFSA-N 286.371 2.788 0 1 CFAF NCCN1C(=O)Nc2ccccc2[C@H]1c1ccccc1 13553560 IHNWJAKZKSOBLF-OAHLLOKOSA-N 267.332 2.582 0 1 CFAF COc1cc(O)c2c(c1O)O[C@@H](c1ccccc1)CC2=O 14807103 AIUFGSSCCIXONA-GFCCVEGCSA-N 286.283 2.813 0 1 CFAF CSc1nc(C)nc2cc(-c3ccccc3)nn12 26503120 OUYKTWBXJOAZFB-UHFFFAOYSA-N 256.334 2.822 0 1 CFAF O=C(NN1CC=CCC1)c1cccc(C(F)(F)F)c1 27765498 KSOZBNMLTAAJBG-UHFFFAOYSA-N 270.254 2.612 0 1 CFAF Nc1ccc(C2=C[C@@H](c3ccc(O)cc3)NC(S)=N2)cc1 103209873 MNOZVNQIJXOAIO-HNNXBMFYSA-N 297.383 2.946 0 1 CFAF CNc1ccc2ncc(-c3ccccc3C(C)=O)n2n1 61898683 BGJIVXZUNLXATI-UHFFFAOYSA-N 266.304 2.641 0 3 CFAF O=C1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 27207285 VXTQJXMVOOXHSK-UHFFFAOYSA-N 287.750 2.966 0 1 CFAF COc1c(Cl)ccc2c1[C@@H](C)NC(NCC(F)F)=N2 29130905 PZVDYPMNMHJRDU-ZCFIWIBFSA-N 289.713 2.855 0 1 CFAF COc1ccc([C@H]2Oc3cc(OC)ccc3C[C@H]2O)cc1 36375061 UAZVYJFUSBJXNA-NVXWUHKLSA-N 286.327 2.741 0 1 CFAF CN1CC[C@@H]2[C@H](CCC[C@@H]2NC(=O)c2ccccc2)C1 40440255 IVYNIYYTFLHWEX-OAGGEKHMSA-N 272.392 2.537 0 1 CFAF CC1=CC[C@]2(CO)CO[C@H](c3ccccc3O)[C@@H]1C2 136262181 XQPYFQDHBGUIBQ-BMFZPTHFSA-N 260.333 2.799 0 1 CFAF C[C@H](N)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 45338063 JKOKSTSOSYXCTG-VVENHKBPSA-N 280.803 2.574 0 1 CFAF COc1c2c(c3ccc(=O)oc3c1OC)OC(C)(C)C=C2 238733402 RBAWZXFHXOOJQS-UHFFFAOYSA-N 288.299 2.994 0 1 CFAF Brc1cccc2c1SN1CCCN=C21 299869727 VHFFRINYWATTFF-UHFFFAOYSA-N 269.167 2.922 0 1 CFAF COc1cccc(-c2nc3ccc(Cl)nc3[nH]2)c1O 587787760 YDGIEPKECLIFMJ-UHFFFAOYSA-N 275.695 2.993 0 1 CFAF Oc1nc(O)c2ccc(-c3cc4cccc(F)c4o3)nc2n1 587370048 TUSFSTZGUODODP-UHFFFAOYSA-N 297.245 2.988 0 1 CFAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3c(Cl)ncnc3[nH]1)C2 586884019 GCGDLTUNRZPYAD-XHNCKOQMSA-N 288.738 2.645 0 1 CFAF Cc1c(Br)cnc2[nH]c(C[C@H](C)N(C)C)nc12 587192154 RTGXLEFARGILKN-ZETCQYMHSA-N 297.200 2.521 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(C)n1)O2 587394725 ZMQWTPVNGDXKTR-OAHLLOKOSA-N 268.316 2.987 0 1 CFAF CS(=O)(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 1857558596 MEFGMEZNBFFZJC-UHFFFAOYSA-N 288.328 2.866 0 1 CFAF CCN(C)CCOc1cc(COc2ccccc2)on1 1857613316 IWLBNFYVGIYGCV-UHFFFAOYSA-N 276.336 2.584 0 1 CFAF O=C(O)[C@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2OCC[C@H]12 169357223 IDLFKXPQOUGXNN-PPKCKEKNSA-N 287.237 2.662 0 1 CFAF O=C(O)CCCCCCCCCCCN1C(=O)C=CC1=O 1542867 LXUJDQIPENZJIV-UHFFFAOYSA-N 295.379 2.897 0 1 CFAF C[C@H](Oc1cccc(C(=O)c2ccccc2)c1)C(=O)O 6020170 YGXYIWJVXOILPG-NSHDSACASA-N 270.284 2.770 0 1 CFAF in-man Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](O)CC1 101548468 IFEXWCPEJGCTJO-PHIMTYICSA-N 270.336 2.697 0 1 CFAF COc1cc([C@@H]2OC[C@]3(CO)CC=C(C)[C@H]2C3)ccc1O 28136565 ZRCWCCFJYHCAAK-XOKHGSTOSA-N 290.359 2.807 0 1 CFAF CN1CCCN(CCn2ccc3ccc(Cl)cc32)CC1 22939908 YVBYXDLUNCFAMX-UHFFFAOYSA-N 291.826 2.932 0 1 CFAF C[C@@]12CCC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 34164812 SXIPXKUAHBNRLJ-FVPQQVELSA-N 291.435 2.869 0 1 CFAF Cc1n[nH]cc1-c1ccnc(NC2CCCCC2)n1 64503490 DCWCMCDCSBJJQE-UHFFFAOYSA-N 257.341 2.920 0 1 CFAF O=C(O)C[C@H](O)CCc1ccc(-c2ccncc2)cc1 45291652 TZHJNXZNYZBVDK-OAHLLOKOSA-N 271.316 2.517 0 1 CFAF CC(=O)OC[C@@](C)(O)[C@H]1/C=C/[C@@](C)(O)CC/C=C(\C)CC1 238783717 RTFVWCRRSNVOBR-LZGGXURUSA-N 296.407 2.744 0 1 CFAF O=C1c2ccccc2[S@@](=O)N1c1cccc(F)c1 254047490 ZPSKJWCPAZKGQG-GOSISDBHSA-N 261.277 2.509 0 3 CFAF CCOC(=O)CCCn1nc(-c2ccccc2)cc(C)c1=N 377825213 XYNWLJSXJBQZCD-UHFFFAOYSA-N 299.374 2.681 0 1 CFAF C[C@@H](c1nc2ccc(O)cc2[nH]1)n1cc(Cl)cn1 587082346 ORHZKZGPJFTKDX-ZETCQYMHSA-N 262.700 2.728 0 1 CFAF COc1cccc(C)c1-c1nc2cc(N)c(N)cc2[nH]1 587787533 XFNBRIKGEGMJLT-UHFFFAOYSA-N 268.320 2.711 0 1 CFAF CCOc1cc(-c2cccc(F)c2)nn1Cc1ncccn1 587871319 FOJXRKSLNRUTOY-UHFFFAOYSA-N 298.321 2.926 0 1 CFAF OCc1ccc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2c1 587176161 FZFDTVBBAAIAGF-UHFFFAOYSA-N 282.278 2.738 0 1 CFAF COc1ncccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587393812 NCJSEKRXWGCCDL-AWEZNQCLSA-N 284.315 2.687 0 1 CFAF COC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587802726 UHANKTQZLCNDDP-KRTXAFLBSA-N 288.160 2.810 0 1 CFAF Cc1ccc(CSCCc2nc3c[nH]c(=N)[nH]c-3n2)cc1 586970815 JQHGLFCJXAOORA-UHFFFAOYSA-N 299.403 2.501 0 1 CFAF COc1cc2nc(-c3cc(=N)[nH]c4ccccc34)[nH]c2cn1 587253813 LLYOXEHJLMRPHZ-UHFFFAOYSA-N 291.314 2.594 0 1 CFAF Cc1cc(O)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1O 587934201 DGZNUFKZHYOVEP-UHFFFAOYSA-N 286.331 2.752 0 1 CFAF C[C@H]1C(=O)CC[C@H]1Cc1nc2ccc(Cl)nc2[nH]1 587961123 DHFMMJDZEQQYLC-SFYZADRCSA-N 263.728 2.769 0 1 CFAF Cc1ccc2oc(=O)c(CC(=O)CC(C)C)nc2c1 13118265 JOAJILMZZDOFEU-UHFFFAOYSA-N 259.305 2.654 0 1 CFAF NC(=O)N(O)[C@@H]1COc2cc(Oc3ccccc3)ccc21 13760633 ONASRJDVAJUZMB-CYBMUJFWSA-N 286.287 2.682 0 1 CFAF C[C@H](c1cc2ccccc2s1)N(O)C(=O)NO 13762832 QMGMGUYQDFAYML-SSDOTTSWSA-N 252.295 2.752 0 1 CFAF C[C@H]1CCC[C@@H](C[C@H]2Cc3cc(O)cc(O)c3C(=O)O2)O1 1857760473 WOMKDMUZNBFXKG-TVYUQYBPSA-N 292.331 2.527 0 1 CFAF CC(=O)N1CCC2(CC1)CCN(c1ccccc1)CC2 3956007 CYYXXPLRZIUVCB-UHFFFAOYSA-N 272.392 2.916 0 1 CFAF CC(=O)N1CCN=C1SCc1ccccc1Cl 4120245 DKPYHOFJAQLXLH-UHFFFAOYSA-N 268.769 2.791 0 3 CFAF CN1[C@@H]2CC[C@@H]1[C@H](/C=C/CO)[C@@H](c1ccccc1)C2 100734569 BAROFIYZXNPKFU-NRFMHVQDSA-N 257.377 2.801 0 1 CFAF CC1(C)C=C(CNCc2ccccc2)C(C)(C)N1[O] 101964892 IXYLWEROMUSXFS-UHFFFAOYSA-N 259.373 2.921 0 1 CFAF O=c1nc(-c2ccccc2O)cc(-c2ccc(F)cc2)[nH]1 103221254 WQJMZQGZNIDVBL-UHFFFAOYSA-N 282.274 2.949 0 1 CFAF O=C(O[C@H]1C[C@@H]2CC[C@H](C1)N2)c1cccc(Cl)c1 103227336 LHLUVVHZBCFHDS-CLLJXQQHSA-N 265.740 2.780 0 1 CFAF CN(C)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)O 26947047 LYQOGCWCHQTUIS-OPQOLIRYSA-N 293.366 2.908 0 1 CFAF CC1=C[C@H]2[C@H](CC1)[C@H](C(=O)O)CC[C@H]2[C@H](C)CO 2356325417 XJQKXTUWCXCVTK-XVIXHAIJSA-N 252.354 2.698 0 1 CFAF COc1ccc2c(c1)O[C@@H]1[C@@H]3C=C[C@@H](OC)C=C3OC[C@H]21 2356653050 YVFBXUBMCJCKQZ-IWCJZZDYSA-N 286.327 2.655 0 1 CFAF CC1=CCCC(CO)=C[C@@H]2OC(=O)[C@H](C)[C@H]2CC1 2356745192 JWJOVYZAXACWBK-BNOWGMLFSA-N 250.338 2.603 0 1 CFAF CC(C)C(=O)N(Cc1ccccc1Cl)[C@H]1CCNC1 40916900 PMWLMRLBVALWMX-ZDUSSCGKSA-N 280.799 2.687 0 1 CFAF O=C(OCc1ccccc1)[C@@H]1COC(c2ccccc2)=N1 49054487 FYUZXXDEUFNIPR-HNNXBMFYSA-N 281.311 2.575 0 1 CFAF CC[C@@H](C)N1c2ncccc2NC(=O)c2cccnc21 95554186 WTPGHAXAGHEICW-SNVBAGLBSA-N 268.320 2.979 0 1 CFAF NC(=O)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 143324973 OIZSJVYKVQUMJH-CQSZACIVSA-N 293.244 2.564 0 1 CFAF CCC(=O)c1c(CO)oc2cc(Br)cnc12 587273612 MQZGXPUPORAZOA-UHFFFAOYSA-N 284.109 2.675 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ncccc1OC)[C@@H](C2)C3=O 587436956 WIXDAJLPADYJCM-GTNSWQLSSA-N 297.310 2.588 0 1 CFAF CSCC[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587409038 JTDZJLHNTAWBND-VIFPVBQESA-N 251.351 2.664 0 1 CFAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(F)cc(C(=O)O)c2[nH]1 587962857 KMCWZNQJHOUJSB-JGVFFNPUSA-N 290.294 2.558 0 1 CFAF O[C@H]1CC[C@@H](c2nc3cc(F)c(F)c(F)c3[nH]2)CC1 586899642 QSVLECATZSJXIX-KNVOCYPGSA-N 270.254 2.999 0 1 CFAF NCc1cccc(-c2nc3cncc(Cl)c3[nH]2)c1 587245865 FSMPBLUAUPKUCQ-UHFFFAOYSA-N 258.712 2.737 0 1 CFAF CC(C)(C)c1ccc2nc([C@H](O)C(C)(C)CO)[nH]c2c1 586902083 XIWKDFULTFYRTH-ZDUSSCGKSA-N 276.380 2.912 0 1 CFAF N[C@H](Cc1cscn1)c1nc2ccc3ncccc3c2[nH]1 587028902 BEDKRFSKKNBHNZ-LLVKDONJSA-N 295.371 2.810 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(CO)cc1)O2 587405465 XCXCNYWDKJYDTC-MRXNPFEDSA-N 283.327 2.776 0 1 CFAF O=C(O)Cc1c(-c2ccc[nH]2)nc2cccc3c2c1CC3 587212592 TZKLMEBJFZAASP-UHFFFAOYSA-N 278.311 2.956 0 1 CFAF CC(=O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587523291 KSTSMXKTHZVUMD-MRXNPFEDSA-N 258.317 2.878 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](c1ccnnc1)CC2=O 587485181 PZFCHBXDMSVXAX-OAHLLOKOSA-N 284.315 2.841 0 1 CFAF CC[C@H](C(=O)OC)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400695 SDWPCGLQTJKNNW-BZNIZROVSA-N 291.347 2.500 0 1 CFAF CN(C)c1nn2cc(-c3c(F)cccc3F)nc2s1 1772588312 CYKVWDWYWZCSAA-UHFFFAOYSA-N 280.303 2.802 0 1 CFAF COc1ccc2c(c1)/C(=C/c1[nH]ccc1OC)C(=O)N2 13478421 QFEIFSYLSPNHRJ-FLIBITNWSA-N 270.288 2.525 0 1 CFAF CCO[C@@]12CC[C@H]3C[C@H]4CC[C@@](OCC)(O1)[C@@H]4[C@@H]32 5840386 SORQIKMJIKCAHH-VWLPUNTISA-N 252.354 2.938 0 1 CFAF C[C@@H]1C[C@@](O)(CC(=O)O)c2c(Cl)cc(Cl)cc2O1 13456140 YHYJSPXDPMUAFN-SREIQFSDSA-N 291.130 2.827 0 1 CFAF Cc1cc(C)[n+](-c2ncc[nH]2)c(-c2ccccc2)c1 13472111 MRRZJWUMDKDXOR-UHFFFAOYSA-N 250.325 2.970 0 1 CFAF CN1CCN(c2nc3ccccc3c3c2CCCC3)CC1 13644253 WLVCZYGIAIOYFH-UHFFFAOYSA-N 281.403 2.865 0 1 CFAF Cc1c(C)c2c(c(C)c1N)C[C@@](C)(Cn1ccnc1)O2 13652118 GTBDDMWEEBLCDT-INIZCTEOSA-N 271.364 2.784 0 1 CFAF COc1ccc2c3c1O[C@@H]1CC=C[C@H]4[C@@H](C2)N(C)CC[C@@]314 169693046 CYNZTGLNKBWNHM-OJIVJNGMSA-N 283.371 2.530 0 1 CFAF COc1ccc(CCN(CCN(C)C)c2ccccn2)cc1 1857585153 ILDRWCXOUQSXKM-UHFFFAOYSA-N 299.418 2.701 0 1 CFAF Oc1cccc(-c2nccc([C@]34CCOC[C@@H]3C4)n2)c1 1857600312 AEIPQWQRUBJPGJ-LRDDRELGSA-N 268.316 2.527 0 1 CFAF CN1CCN(c2ncnc3ccc(-c4ccoc4)cc23)CC1 4265172 ZKVZAERYCCRXBT-UHFFFAOYSA-N 294.358 2.642 0 1 CFAF CCN(CC)CCCNC(=O)c1cc2c(s1)CSC2 6736754 VQWUJNUCZQMETR-UHFFFAOYSA-N 298.477 2.957 0 1 CFAF NC(=S)Nc1ccc2c(c1)-c1ccccc1C2=O 58590653 XGBAEVXBMMPJHI-UHFFFAOYSA-N 254.314 2.554 0 1 CFAF CC[C@@]1(C)SC(NC23C[C@H]4CC2C[C@@H](C4)C3)=NC1=O 100404230 NKXZODWCNYSDGW-RLDIVLDZSA-N 278.421 2.953 0 1 CFAF O=c1[nH]cnc2c1c1ccccc1n2-c1ccccc1 26672862 ZXMGBUXZYPSVIK-UHFFFAOYSA-N 261.284 2.867 0 1 CFAF O=C(CC1C[C@H]2CC[C@H](C1)N2)c1c[nH]c2cc(O)ccc12 101313335 IEUXRHDPSSNADT-VXGBXAGGSA-N 284.359 2.977 0 1 CFAF COC(=O)c1cc2c3cc(C)cnc3n(C)c2c(C)n1 28867826 KLNGJLHVXDHUNC-UHFFFAOYSA-N 269.304 2.525 0 1 CFAF CC[C@@H](C)C(=O)C(=O)N[C@@H](C)Cc1c[nH]c2ccccc12 26179767 WKNHEWXETZJFSW-NEPJUHHUSA-N 286.375 2.830 0 1 CFAF O=c1cc(-c2ccsc2)[nH]c2cc3c(cc12)OCO3 73140213 GNOMCMAXMWGSEL-UHFFFAOYSA-N 271.297 2.985 0 1 CFAF CCOC(=O)c1ncc2c(c1COC)-c1ccccc1C2 40861379 XXLGXWULTMLPAN-UHFFFAOYSA-N 283.327 2.976 0 1 CFAF Oc1nncc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c12 587098107 RDZZCJVVSMCCMV-UHFFFAOYSA-N 298.199 2.883 0 1 CFAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc[nH]c(=N)c2[nH]1 587195482 KRTAUKIBTBFGBT-SNVBAGLBSA-N 281.363 2.588 0 1 CFAF Oc1nc(O)c2ccc(-c3cc(F)c(F)cc3F)nc2n1 587368962 YEXOGPFHNRYUIF-UHFFFAOYSA-N 293.204 2.520 0 1 CFAF CCN1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H](C)C1 587395480 MUPRSARJCMQMLT-SJKOYZFVSA-N 288.391 2.643 0 1 CFAF CC(C)OCC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874156 VYTGMVPAIFLRAY-UHFFFAOYSA-N 276.267 2.860 0 1 CFAF C[C@H](c1nc2cccc(O)c2[nH]1)n1cc(Cl)cn1 587082463 PXTVCKJMHVNNQB-SSDOTTSWSA-N 262.700 2.728 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1N)[C@@H](C2)C3=O 587433665 SWDQVSGKDGISSG-SCLBCKFNSA-N 295.338 2.940 0 1 CFAF Brc1ccnc2[nH]c(C3CC4(COC4)C3)nc12 586916727 NVYXGXWZFSRLTH-UHFFFAOYSA-N 294.152 2.614 0 1 CFAF N=c1[nH]ccc2nc(CCCCc3cccc(O)c3)[nH]c12 586895896 CUIRUVUAICLKTD-UHFFFAOYSA-N 282.347 2.641 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(Cc1ccncc1)[C@@H](C2)C3=O 587436513 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CCCc1c(O)ccc2c1O[C@H](c1cncnc1)CC2=O 587493090 ZPHXEAVPIUFLQW-HNNXBMFYSA-N 284.315 2.841 0 1 CFAF Cc1cnc2[nH]c([C@H]3C[C@H](O)c4ccccc43)nc2c1 586903887 QVMKGWFQVIUABC-JSGCOSHPSA-N 265.316 2.835 0 1 CFAF N[C@H](c1ccsc1)c1nc2cc(F)c(F)cc2[nH]1 587025457 MLVDXUDDGLICGO-LLVKDONJSA-N 265.288 2.951 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1C)O2 587390363 MLVCKXBNDRPHID-AWEZNQCLSA-N 256.305 2.622 0 1 CFAF CN[C@@H](c1cccnc1)c1nc2ccc(F)c(C)c2[nH]1 587222300 JRIAPMKYGJAZAJ-AWEZNQCLSA-N 270.311 2.714 0 1 CFAF CC[C@H]1OCCC[C@H]1c1nc2ccnc(OC)c2[nH]1 586909464 FBCSQYSZRWEXFL-MWLCHTKSSA-N 261.325 2.639 0 1 CFAF Clc1c[nH]c2nc(-c3occ4c3CCC4)nc-2n1 586905615 VVFRYQOPANNTAH-UHFFFAOYSA-N 260.684 2.707 0 1 CFAF CCN(CC)c1ccc(-c2ccc(C(=O)O)cc2)nn1 1857534172 ZUHSWUTYKIRAOB-UHFFFAOYSA-N 271.320 2.688 0 1 CFAF CSc1nnc(CCCO)n1-c1ccc(Cl)cc1 1857580007 XYDWFDSNEWIAOR-UHFFFAOYSA-N 283.784 2.568 0 1 CFAF CCCC[C@@H](CCO)Nc1nc(N)nc2ccc(F)cc12 205021167 GZHNUMCTVDYZCO-NSHDSACASA-N 292.358 2.704 0 1 CFAF O=C(NCc1ccsc1)C(=O)c1c[nH]c2ccccc12 13685617 HITROWMMZCHVLQ-UHFFFAOYSA-N 284.340 2.729 0 1 CFAF CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@H]3O 13806907 HIYLSOSERAQOHL-RDTXWAMCSA-N 263.340 2.834 0 1 CFAF Cc1cc2c(c3c1O[C@H](O)[C@H]3O)-c1ccc(O)c(C)c1CC2 14723406 RDLDQEWYXLYSNL-WMZOPIPTSA-N 298.338 2.519 0 1 CFAF C[C@]12CC[C@@H]3C[C@@H](CCO)CC[C@@H]3[C@H]1CC[C@@H]2O 169372339 KJWKZMUYYBEDRU-RDGWLKQMSA-N 252.398 2.972 0 1 CFAF CC1=CC[C@H]2[C@H](C1)C(=O)c1ccc3c(c1[C@@H]2O)OCO3 205263959 IDEZBPJGADQLHU-CCUNJIBTSA-N 272.300 2.618 0 1 CFAF COc1ccc2cccc3c2c1[C@@H](CNC(C)=O)C3 13834451 GVOWMRKLYWGZOG-CYBMUJFWSA-N 255.317 2.624 0 1 CFAF COc1ccc(NC(=S)c2ccc(O)cc2O)cc1O 103294863 WNLMSMQKFPWBJD-UHFFFAOYSA-N 291.328 2.600 0 1 CFAF CC[C@H](C)[C@H]1NC(=O)C(SCc2ccco2)=C1O 100603439 OHCQTMOEANZHHJ-WCBMZHEXSA-N 267.350 2.827 0 1 CFAF Oc1[nH]cnc2c3cc(Br)ccc3nc1-2 104084274 FUPCZODKFBFIMZ-UHFFFAOYSA-N 264.082 2.531 0 1 CFAF CC(=O)CC[C@@H]1C(=O)C[C@H](C(C)(C)O)CC[C@H]1C 2356405485 UYXPDSAGXXKPIL-RTXFEEFZSA-N 254.370 2.748 0 1 CFAF COc1cc(C=CC(=O)OCC=C(C)C)ccc1O 2356640652 LGFZYQVEWDKGLZ-UHFFFAOYSA-N 262.305 2.923 0 1 CFAF C[C@H]1CCC2=C1CN(CCc1ccc(O)cc1)C=C2CO 2356839188 LRRSQGDOVCCUQL-ZDUSSCGKSA-N 285.387 2.853 0 1 CFAF O=S(=O)(c1ccccc1)c1nonc1-c1ccccc1 39254497 OUVAQVRCZMBAKW-UHFFFAOYSA-N 286.312 2.569 0 1 CFAF Clc1cc(OC[C@@H]2C[C@H]3C[C@H]3N2)cnc1Cl 1911577703 XSJCLLVXAXKDRO-MHYGZLNHSA-N 259.136 2.518 0 1 CFAF CC(=O)NCC[C@@H]1CCc2ccc3nc(C)oc3c21 43178897 CCRUCMHMQXUZAT-LBPRGKRZSA-N 258.321 2.692 0 1 CFAF C[C@@H]1CC[C@H]2[C@](C)(C(=O)O)C[C@]3(C)CC[C@@H]1[C@@]23O 49803188 HJIXPIWBGQEXMJ-AWOLGQDMSA-N 252.354 2.675 0 1 CFAF O=C(O)c1[nH]nc2c1C[C@H](c1cc(F)cc(F)c1F)CC2 43025282 DKRWTSSIUWFPPD-ZCFIWIBFSA-N 296.248 2.798 0 1 CFAF C[C@@H](C(=O)O)c1ccc(N[C@H]2CCCC[C@@H]2O)cc1F 84711009 IOYHDYVSUFXZRC-IIMNLJJBSA-N 281.327 2.729 0 1 CFAF C1=CN2C=CN[C@@H]2C(c2cc3c4c(cccc4n2)CC3)=C1 587212877 WPMXQCRJIOAEBD-SFHVURJKSA-N 273.339 2.947 0 1 CFAF CCCc1c(O)ccc2c1O[C@](C)(c1cc[nH]n1)CC2=O 587482804 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CC1(C)C(=O)N[C@@H](c2ccc(N)cc2)c2ccccc21 3601005 HFEQWUAVFWWXOQ-HNNXBMFYSA-N 266.344 2.766 0 1 CFAF C[C@H]1C=CC[C@@H]2C(=O)N(c3ccc(Cl)cc3O)C(=O)[C@H]12 100630432 YKOWREXPNNRJCC-GMOODISLSA-N 291.734 2.747 0 1 CFAF CC(=O)c1ccc2c(c1)[C@@H](N1CCCC1)[C@H](O)C(C)(C)O2 29336244 FAYSYYRPENLEGV-CVEARBPZSA-N 289.375 2.558 0 1 CFAF O=c1[nH]c(=S)[nH]c2[nH]c(-c3ccc(Cl)cc3)nc12 111911043 UIXRGSSZUASFHS-UHFFFAOYSA-N 278.724 2.629 0 1 CFAF CCc1nnc2c(NC3CCC3)nc3ccccc3n12 25969898 PVAFHQHQPMUZKN-UHFFFAOYSA-N 267.336 2.804 0 1 CFAF Cc1ccc([C@H](C)CCOC(=O)C(C)(C)O)cc1 2356519382 YZUKJJBWZXYQRZ-GFCCVEGCSA-N 250.338 2.803 0 1 CFAF CN1[CH]C=CC=C1c1coc2cc(O)ccc2c1=O 2356862656 KVHGIZMAXBGAJX-UHFFFAOYSA-N 254.265 2.503 0 1 CFAF CC1=CC=CC2=NC[C@H](C(=O)c3ccc(F)cc3)CN12 43059867 HPQVAIYLHCIDII-ZDUSSCGKSA-N 270.307 2.812 0 1 CFAF COc1cc(/C=C\C(=O)n2cccc2)cc(OC)c1O 238787369 NTUHTAKHEMBKOG-WAYWQWQTSA-N 273.288 2.565 0 1 CFAF CCNc1nc(Cc2ccccc2)cc2c1CCNCC2 299852175 ONTAWQDMHIOMGP-UHFFFAOYSA-N 281.403 2.792 0 1 CFAF 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Nc1nc2ccccc2n1C(=O)Cc1ccc(F)cc1 82284616 LCVHOENRSUPBEI-UHFFFAOYSA-N 269.279 2.641 0 1 CFAF CC1(C)C=C(n2ccccc2=O)c2ccccc2O1 13795356 BUTIXGPZGLGTDG-UHFFFAOYSA-N 253.301 2.909 0 1 CFAF COC(=O)/C=C/[C@@H]1[C@@H]2[C@@]3(CC[C@H](C)[C@]21C)OCCS3 103131951 KEMPVPODOJBOPZ-ZQUWWOLOSA-N 282.405 2.858 0 1 CFAF CN(C)CCN(Cc1ccc(Cl)cc1)c1ncccn1 60261192 PALIVARNCODQMJ-UHFFFAOYSA-N 290.798 2.698 0 1 CFAF CN1C(=O)C[C@H](c2ccccc2)[C@@H]1C(=O)c1cccs1 28460776 MXDPIXAEDALZES-IUODEOHRSA-N 285.368 2.945 0 1 CFAF CC1=CCCC(CO)=CC[C@@H]2[C@H](C1)OC(=O)[C@@H]2C 2356643121 ILIOGIMGVJEQEZ-XBFCOCLRSA-N 250.338 2.603 0 1 CFAF CC(C)CC(=O)C[C@](C)(O)[C@H]1CC=C(C(=O)O)CC1 2356718466 XEODLVZRFHRTCH-WFASDCNBSA-N 268.353 2.554 0 1 CFAF CCCNC(=O)N1OC[C@H]2CSc3ccc(F)cc3[C@H]21 62225404 OQGNYBGVLNWSIX-ZANVPECISA-N 296.367 2.956 0 1 CFAF CS[C@]1(C)C[C@@H]2[C@H](C[C@H]1N1CCOCC1)C2(C)C 73390398 LZTQTTOSHLGSSO-KYEXWDHISA-N 269.454 2.875 0 1 CFAF CNC(=O)c1sc(-c2ccc(Cl)cc2)nc1COC 71318740 XGSXWENUNOJLLV-UHFFFAOYSA-N 296.779 2.970 0 1 CFAF COc1cccc(-c2cc(NC[C@H]3CCCO3)ncn2)c1 82161219 LULSBJQQJOEHTN-CQSZACIVSA-N 285.347 2.743 0 1 CFAF CN1C(=O)[C@H]2O[C@@H](c3ccccc3)[C@@H]1[C@@H]2c1ccccc1 230093728 QVGJMLNUOQHRAS-QAETUUGQSA-N 279.339 2.751 0 1 CFAF N=C(N)c1ccc2nc(Nc3ccccc3)[nH]c2c1 653816297 BZRHARCIWOYVRA-UHFFFAOYSA-N 251.293 2.591 0 1 CFAF Oc1ncnc2[nH]c(CCc3cc4ccccc4o3)nc12 586909216 WNZNLDJKZGNNLY-UHFFFAOYSA-N 280.287 2.590 0 1 CFAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](N)C1)CC2=O 587472979 PKKVFOGTPAWEOW-APPDUMDISA-N 289.375 2.950 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccn(C)c1)O2 587392206 XEDWZBIQNRYGNN-MRXNPFEDSA-N 270.332 2.796 0 1 CFAF O=C1C[C@@]2(CN3CC[C@H]2C3)Oc2c1ccc1c2CCCC1 587523788 HPWVZTJNASNJAS-UGSOOPFHSA-N 283.371 2.605 0 1 CFAF CC(C)Cc1cc2c(O)nc(O)nc2nc1C1CC1 587562302 VXJXTIFLGNWTTG-UHFFFAOYSA-N 259.309 2.512 0 1 CFAF CC[C@H]1C(=O)C[C@@H]2CCN(CCOC)[C@@H]3CCC[C@H]1[C@@H]23 1772581699 GHUMNUGGNLJZGQ-ZAPJKBGESA-N 279.424 2.739 0 1 CFAF CC(C)(C)C(=O)OCSc1nc(-c2cccnc2)no1 5884947 MSCHCJJKSTWBGF-UHFFFAOYSA-N 293.348 2.771 0 1 CFAF COc1cc(O)c2c3c1CCc1cc(O)cc(c1-3)OC2 14637622 KSYNXQAQRNIFLB-UHFFFAOYSA-N 270.284 2.764 0 1 CFAF O=C1N=C2c3ccccc3C(=O)[C@@H]2[C@H](c2ccccc2)N1 169687875 HMIKVFWMLSWMFQ-KGLIPLIRSA-N 276.295 2.753 0 1 CFAF c1ccc2c(c1)CCCN2Cc1nnnn1C1CCCC1 417422 YBOSNPYCBGUYCB-UHFFFAOYSA-N 283.379 2.741 0 3 CFAF CC(=O)N1[C@@H](OC(C)C)C[C@@H](C)N1c1ccccc1 1636381 IKYCLWWGLXTHBQ-DOMZBBRYSA-N 262.353 2.800 0 1 CFAF CCOC(=O)[C@@H](C(C)C)[C@H](N)Cc1ccc(F)cc1 2944921 UTBUMZRCKSPAIC-KGLIPLIRSA-N 267.344 2.531 0 3 CFAF CCCN(CCC)CCc1ccc(O)c2c1CC(=O)N2C 28010345 DVMXWEQYWQEDNO-UHFFFAOYSA-N 290.407 2.576 0 1 CFAF CNC(=O)N(C)[C@@H]1c2ccc(OC)cc2Oc2ncccc21 28019731 RHPWIDDBRXYXAY-CQSZACIVSA-N 299.330 2.557 0 1 CFAF CCNc1nc2cc(O)c(Cl)cc2nc1NCC 115764885 ITYPHGZIVOHPIP-UHFFFAOYSA-N 266.732 2.852 0 1 CFAF C[C@@H]1CCC2=C([C@H](O)OC2=O)[C@@H]2CC(C)(C)C[C@H]12 2356824306 GUNCMJRPHLTLMA-IDTAVKCVSA-N 250.338 2.641 0 1 CFAF O=Cc1c(O)cccc1-c1coc2cc(O)ccc2c1=O 33830328 RHAHSJPCMYFQTA-UHFFFAOYSA-N 282.251 2.684 0 1 CFAF biogenic,in-vitro COc1ccc2cc(F)cc(CCNC(C)=O)c2c1 82157437 NHUXIOLNBLTPDJ-UHFFFAOYSA-N 261.296 2.666 0 1 CFAF Cc1cc(C)n(C[C@H](C)C(=O)Nc2ccccc2)n1 621476565 VGVYHFFHWAQNKG-NSHDSACASA-N 257.337 2.775 0 1 CFAF N=C(N)c1ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c1 587175041 VRSDCDSSELVJJC-AWEZNQCLSA-N 296.305 2.662 0 1 CFAF C[C@@H]1O[C@H]1c1nc2ccc(OC(F)(F)F)cc2[nH]1 586917126 LRXRSVYOSYPDTA-SSDLBLMSSA-N 258.199 2.921 0 1 CFAF Oc1nc(O)c2ccc([C@@H]3C[C@H]3c3ccc(F)cc3)nc2n1 587369674 NCHHPLSWJHZRIA-NWDGAFQWSA-N 297.289 2.846 0 1 CFAF COc1ccccc1N1C(=O)CS[C@@H]1c1ccncc1 169342649 DQPGYQOATZRVKF-OAHLLOKOSA-N 286.356 2.869 0 1 CFAF Cc1ccccc1[C@H]1Nc2ccccc2[C@H]2[C@@H](O)[C@@H](O)C[C@@H]12 1857761636 NWXBYDDKGITUOB-QTUASDBPSA-N 295.382 2.987 0 1 CFAF CCCSc1nn2c(=O)c3ccccc3nc2s1 2150324 LNNYWGXLPKENRQ-UHFFFAOYSA-N 277.374 2.806 0 3 CFAF CC(C(=O)O)=C1CC(C)(C)C[C@@H]2[C@@H]1CC[C@@]2(C)O 2356486816 FMPSNIUPCNLEGV-IXPVHAAZSA-N 252.354 2.985 0 1 CFAF COc1cc(OC)c(NC(=O)Cn2cccc2)cc1Cl 4104233 MNXYNNMXJSNYJA-UHFFFAOYSA-N 294.738 2.797 0 3 CFAF CC[C@@H]1O[C@]2(C)C[C@@H](S(=O)(=O)c3ccccc3)C[C@@H]1O2 102920607 KYUURSSCXNRXMX-AJNGGQMLSA-N 296.388 2.533 0 1 CFAF COC(=O)c1cc(C(=O)C2CC2)n2ccc(C)cc12 53229935 UOTDGVPLVPPQNO-UHFFFAOYSA-N 257.289 2.627 0 1 CFAF CCCC[n+]1cccc2c1CC[C@H]1CC[C@@H](O)C[C@@H]21 26261723 FVGWACKJRIODEP-IIAWOOMASA-N 260.401 2.965 0 1 CFAF Cc1nc2ncnn2c2c1CCN2Cc1ccc(Cl)cc1 28004440 VLZNZZFUEODXFY-UHFFFAOYSA-N 299.765 2.649 0 1 CFAF C[C@H](Oc1ccccc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 28111470 FTUIXKYOOBRYLF-ZNUWXHPXSA-N 289.375 2.622 0 1 CFAF C[C@H](C(=O)O)[C@H]1CC[C@@H](C)[C@H]2CCC(CO)=C[C@H]12 2356632331 JTUOWRWJSXCKMC-ZJMQZLNVSA-N 252.354 2.698 0 1 CFAF Cc1cccc(C)c1NC(=O)C12CCCN1CCC2 27752367 ZMUYVPLJUCJPCJ-UHFFFAOYSA-N 258.365 2.870 0 1 CFAF CCN1CCN(C(=O)c2csc3c2CCCCC3)CC1 71932127 XBCPKPXAKSZLIC-UHFFFAOYSA-N 292.448 2.795 0 1 CFAF CCCCNC(=O)NC(C)(C(F)(F)F)C(F)(F)F 3188987 OOICPFQDDQLMSM-UHFFFAOYSA-N 280.212 2.969 0 1 CFAF biogenic COc1ccc(CN(C)Cc2cccc(CNC=O)c2)cc1 71332227 KCTYDPCBXSNUEO-UHFFFAOYSA-N 298.386 2.573 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cscn1)O2 587414681 UQVWBKDDORMRJW-GFCCVEGCSA-N 260.318 2.740 0 1 CFAF COCCC[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442617 RLMMFYRTUFEOSP-MLGOLLRUSA-N 276.332 2.628 0 1 CFAF C[C@H](c1ccccc1)c1ccc2c(O)nc(O)nc2n1 587560464 BYNAYGQAJXFHFY-SECBINFHSA-N 267.288 2.588 0 1 CFAF N[C@H]1CC[C@@H]1c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587246781 NNKUSWFEMGKMEQ-XNCJUZBTSA-N 273.233 2.926 0 1 CFAF CC[C@]1(c2ccn(C)n2)CC(=O)c2cc(C)cc(N)c2O1 587392876 WPQICLCDNXKMNM-MRXNPFEDSA-N 285.347 2.581 0 1 CFAF COc1cc2nc(-c3cnc(Cl)s3)[nH]c2cn1 587022965 GRNVNUIBPFHYIS-UHFFFAOYSA-N 266.713 2.743 0 1 CFAF CCOCCOCc1nc2c(Cl)cnc(Cl)c2[nH]1 587778536 MBZXJSBPHUZLNB-UHFFFAOYSA-N 290.150 2.818 0 1 CFAF c1ccc2oc(CCc3nc4cncnc4[nH]3)cc2c1 586907897 OQVUXTRCRUGBPY-UHFFFAOYSA-N 264.288 2.884 0 1 CFAF O=C1c2ccccc2-c2cc(CCO)nc3cccc1c23 587206360 IYJJLSOKTGMWHX-UHFFFAOYSA-N 275.307 2.981 0 1 CFAF C[C@H](F)[C@@H](N)c1nc2cccc(OC(F)(F)F)c2[nH]1 587122030 BFAQKKDSMYYSDL-YLWLKBPMSA-N 277.221 2.819 0 1 CFAF COc1cncc2nc(CCC(=O)c3ccc(F)cc3)[nH]c12 587163318 PCUMDXQFIKGRQW-UHFFFAOYSA-N 299.305 2.921 0 1 CFAF S=C1Sc2cccc(Br)c2C2=NCCN12 1857583828 QSRDMFWIKLRMOW-UHFFFAOYSA-N 299.218 2.902 0 1 CFAF CN(CCCCN1CCCCC1=O)Cc1ccccc1 1772584080 KQAXFSKXSVWSJC-UHFFFAOYSA-N 274.408 2.911 0 1 CFAF O=C1Nc2cnc(-c3cccnc3)cc2/C1=C/c1ccc[nH]1 13538915 FPQNQPZTVIHFSW-AUWJEWJLSA-N 288.310 2.964 0 1 CFAF Cc1nc(N)sc1-c1ccnc(Nc2ccc(O)cc2)n1 13559870 MUSBOHKPZFHPFH-UHFFFAOYSA-N 299.359 2.940 0 1 CFAF CCCN1CCC=C2c3nc(N)sc3CCC[C@@H]21 13824130 HSUZBKBGBYUPDC-NSHDSACASA-N 263.410 2.929 0 1 CFAF COC(=O)/C=C(C)/C=C/c1c(C)c(C(C)=O)c(C)n1C 1625595 HVMLDYJZKASNRO-XBLVEGMJSA-N 275.348 2.977 0 1 CFAF CSc1nnc(Sc2c(C)n[nH]c2C)s1 124539 PNARKDACJAPELK-UHFFFAOYSA-N 258.397 2.751 0 1 CFAF in-vitro CCO[P@](=O)(NC(C)C)Oc1cc(C)ccn1 103146043 XRNBRNCNYHMBRI-QGZVFWFLSA-N 258.258 2.911 0 1 CFAF O=C1CSc2c(Cl)cccc2N1C[C@H]1CCCO1 103211841 OHNPANAOAVUJKA-SECBINFHSA-N 283.780 2.958 0 1 CFAF c1cc2c(cc1CN[C@H]1[C@H]3[C@H]4C[C@@H]5[C@H]6[C@H](C[C@H]53)[C@@H]1[C@@H]64)OCO2 101699872 VGYQUDBPYFLBLJ-DZIMHAIFSA-N 295.382 2.651 0 1 CFAF Cc1nn(C)c2c1C(c1ccccc1)=N[C@@H](C)[C@@H](C)N2 28105577 XDCIGINZGLLDIJ-WDEREUQCSA-N 268.364 2.768 0 1 CFAF C/C1=C/C[C@H](O)/C(C)=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 36375206 RLHPCSSGTQNSJN-IBFLBEDESA-N 250.338 2.602 0 1 CFAF CCC(=O)N1N=C(c2cc(OC)ccc2N)SC1(C)C 73292968 PPWVFCGYPVUSCA-UHFFFAOYSA-N 293.392 2.661 0 1 CFAF Cc1nn(-c2ccccc2)c2nc3c(c(N)c12)CCC3 40818219 KTQACQFKAILMTA-UHFFFAOYSA-N 264.332 2.800 0 1 CFAF Nc1[nH]c2ccc(O)cc2c1C(=O)c1ccccc1 40565955 HTUNNZKLYMZPRE-UHFFFAOYSA-N 252.273 2.687 0 1 CFAF O=C(Nc1cccnc1)c1ccc2cccnc2c1O 87698032 UHQXTAMAQWEISF-UHFFFAOYSA-N 265.272 2.588 0 1 CFAF N=C(N)c1ccc2nc(-c3ccc(N)cc3)sc2c1 45365323 FLWIPEHRIQCVKO-UHFFFAOYSA-N 268.345 2.830 0 1 CFAF Fc1ccccc1-c1cc(NC[C@H]2CCCO2)ncn1 82162151 REZHBMTZBROVDK-LLVKDONJSA-N 273.311 2.874 0 1 CFAF O=C1[C@H]2CC=CC[C@H]2C(=O)[C@]12CCc1ccccc12 299814844 UJUMWICRKXFWGH-FVCICTRLSA-N 252.313 2.605 0 1 CFAF Nc1ccc(-c2cccc(-c3c[nH]nc3N)c2)cc1 653861133 IBWZVMUUZXXGNJ-UHFFFAOYSA-N 250.305 2.908 0 1 CFAF COc1ccc2nc(-c3ccc(O)cc3Cl)[nH]c2n1 587053250 AOCYHCPLOOQPQM-UHFFFAOYSA-N 275.695 2.993 0 1 CFAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)nc1 587393622 JQBIFLFAHBQNAE-HNNXBMFYSA-N 284.315 2.687 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@]3(C)O[C@@H]13)O2 587406558 CJPIWUUKSHUORE-OAGGEKHMSA-N 273.332 2.623 0 1 CFAF Cc1ccc(C)c2[nH]c([C@@H](O)c3cccc(O)c3)nc12 586888229 BYGKVJFVJGPBRA-HNNXBMFYSA-N 268.316 2.967 0 1 CFAF C[C@@H](c1nc2cc3c(cc2[nH]1)OCO3)n1cc(Cl)cn1 587081859 HOESSJAUCHJINU-ZETCQYMHSA-N 290.710 2.751 0 1 CFAF CC(=O)[C@@]1(CC(C)C)CC(=O)c2cc(C)cc(N)c2O1 587403679 PNIBBTDXIMFCHI-MRXNPFEDSA-N 275.348 2.916 0 1 CFAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(C(C)C)CC2=O 587490229 QYVLGUHWKWQLRR-INIZCTEOSA-N 292.331 2.789 0 1 CFAF C=COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 169347081 VBQMZCRMTUTMJL-INIZCTEOSA-N 295.338 2.714 0 1 CFAF CCO[C@H]1O[C@@H](C)Cc2c(C)c(O)cc(OC)c21 13460347 CLAXJTXPHPPOCK-RTHLEPHNSA-N 252.310 2.706 0 1 CFAF O=C1c2ccc(O)cc2[C@@H]2C[C@H]1c1cc(O)ccc1C2=O 13588102 XVWKIRRDXMJHEC-GJZGRUSLSA-N 280.279 2.748 0 1 CFAF CCCn1nc(-c2cccnc2)c2ccccc2c1=O 13600540 KQTPLMRGMCKLFG-UHFFFAOYSA-N 265.316 2.869 0 1 CFAF C/C(NNc1ccc(Cl)c(C(=O)O)c1)=C1\C=CC=N1 15952540 WPMIAHFNHBVRQG-WQLSENKSSA-N 277.711 2.827 0 3 CFAF CN1C=Cc2ccccc2[C@@H](c2ccccc2)[C@@H](O)C1=O 18152086 VRSSZILNAITUII-IAGOWNOFSA-N 279.339 2.622 0 1 CFAF endogenous,in-man CC1(C)C[C@@](C)(C(N)=O)c2cn(-c3ccccc3)cc21 28006468 JHVZRDXQJJRQPB-QGZVFWFLSA-N 268.360 2.902 0 1 CFAF O=C(c1ccccc1)c1cccc(CCN2CCOCC2)c1 29411618 DYULLOXAYIJXJM-UHFFFAOYSA-N 295.382 2.792 0 1 CFAF Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CCCC3 62233098 ATWNWCGXZSMGSM-UHFFFAOYSA-N 279.343 2.807 0 1 CFAF CN1CC[C@](C)(C(=O)Nc2cccc3c2CCCC3)C1 61906215 IACCRWBRCOAHQK-KRWDZBQOSA-N 272.392 2.846 0 3 CFAF C[C@@H]1[C@H](O)C[C@@]23C[C@H]1[C@](C)(C(=O)O)[C@H]2CC[C@@H]3C 2356689577 OMLUGBLYLSZBOX-JDCQVALKSA-N 252.354 2.530 0 1 CFAF C[C@@H](O)C(C)(C)C=CC=CCCC(=O)C(C)(C)CO 2356858835 TWZVGLYLTHNTQX-CYBMUJFWSA-N 268.397 2.874 0 1 CFAF C[C@@H](CCNC(=O)c1ccc(Cl)s1)n1ccnc1 25988497 SNLDUIZZNSOKDG-VIFPVBQESA-N 283.784 2.979 0 1 CFAF COc1cc(/C=C/c2ccc(O)c(OC)c2)oc(=O)c1 33832533 YHVDGZPFCGLBOW-HWKANZROSA-N 274.272 2.533 0 1 CFAF biogenic,in-vitro O=C(CCCCCc1ccccn1)NC1CCC(O)CC1 1911573686 DPRHZKVSAAWORW-UHFFFAOYSA-N 290.407 2.604 0 1 CFAF C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@H](C)[C@@H]2CC1 139864856 JWJOVYZAXACWBK-ALWJHZSMSA-N 250.338 2.603 0 1 CFAF O=C(Oc1cncc(Br)c1)c1ccco1 40584836 HMICIXHTRIFAET-UHFFFAOYSA-N 268.066 2.656 0 1 CFAF O=c1c(-c2ccccc2)c[nH]c2c1ccn1ccnc21 84633445 FGGOPGKETWVTMW-UHFFFAOYSA-N 261.284 2.843 0 1 CFAF Cc1c(CCCCC(=O)O)oc(CCC(=O)O)c1C 220172175 KLVVTPGUDQKTHU-UHFFFAOYSA-N 268.309 2.711 0 1 CFAF CN1CCc2c3n(c4ccccc24)[C@@H](O)CCC[C@@H]31 42922537 FFHFXMISRGNTKW-GJZGRUSLSA-N 256.349 2.845 0 1 CFAF COc1c(CC=C(C)C)c(=O)[nH]c2c3c(ccc12)OCO3 137769009 MZSGQVIOUKMQOL-UHFFFAOYSA-N 287.315 2.774 0 1 CFAF COc1c2occc2c(C(C)=O)c2ccc(=O)oc12 95595523 IGDCDPJZPXVSEC-UHFFFAOYSA-N 258.229 2.750 0 1 CFAF CC(=O)c1cc(C(C)=O)c2c(c1)C(=O)CC(C)(C)O2 238731179 NQLARBJMYNUODP-UHFFFAOYSA-N 260.289 2.836 0 1 CFAF C[C@H]1CC[C@H]2[C@H](OC(=O)[C@@H]2C)[C@]2(C)C(=O)CC[C@@H]12 238755948 UAISWGZBKOGPML-JTVDQKQESA-N 250.338 2.579 0 1 CFAF Nc1nc(N)c2cc(Oc3ccccc3)ccc2n1 84706887 WJNBRLBGEBNJNM-UHFFFAOYSA-N 252.277 2.587 0 1 CFAF CN(C)CC[C@@H](c1ccc(F)cc1)N1CCCC1 299818814 ARIJCTMJQZWJNV-HNNXBMFYSA-N 250.361 2.914 0 1 CFAF O=C1OCC(c2ccc(F)cc2)=C1c1ccc(O)cc1 299832687 KEJNVJCIWNMMDW-UHFFFAOYSA-N 270.259 2.999 0 1 CFAF Fc1ccc(-c2cn(-c3c[nH]c4ncccc34)nn2)cc1 653709126 KAMMAXBMKYEMQN-UHFFFAOYSA-N 279.278 2.950 0 1 CFAF CC[C@]1([C@@H]2CCOC2)CC(=O)c2cc(C)cc(N)c2O1 587411341 IMAQTZUDIAAJIX-BDJLRTHQSA-N 275.348 2.728 0 1 CFAF CCn1ncc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587430931 IALMAUUDDKQLNF-SJKOYZFVSA-N 298.342 2.709 0 1 CFAF O=C(O)c1ccccc1/C=C/c1nc2ccnc(O)c2[nH]1 586879150 JBLDESJSLMOCBS-AATRIKPKSA-N 281.271 2.532 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(C)ccc1O)O2 587394515 WUTLYLRMMDXTRY-CQSZACIVSA-N 284.315 2.693 0 1 CFAF Oc1nc(O)c2ccc(-c3cccc4[nH]ccc34)nc2n1 587554959 LISVOIAUKYTABR-UHFFFAOYSA-N 278.271 2.584 0 1 CFAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)N(C)C 587629985 CGMFXDDQMQNIDL-UHFFFAOYSA-N 254.692 2.971 0 1 CFAF CC(C)c1nn(C)c2c1[C@H]([C@@H]1CCO[C@H](C)C1)NCC2 962920368 RWOHGMHSEYVIPF-HSMVNMDESA-N 277.412 2.545 0 1 CFAF Oc1nc(-c2ccccn2)nc(O)c1Cc1ccccc1 116190293 YVNATZNDIHZEFR-UHFFFAOYSA-N 279.299 2.541 0 1 CFAF COC[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 169370134 CCDRAFCULRDJSC-NNZXCATCSA-N 268.353 2.628 0 1 CFAF CC(=O)Oc1cc(C(C)C)c(OC(C)=O)cc1C 205205121 MINLIAGKAUYZPA-UHFFFAOYSA-N 250.294 2.969 0 1 CFAF O=c1cc(Nc2ccc(-c3ccccc3)cc2)nc(O)n1O 1857648422 PCGFBWBCNOYCDT-UHFFFAOYSA-N 295.298 2.597 0 1 CFAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CCO)O2 13652337 RUYZTDOMKYWHFC-OAHLLOKOSA-N 250.338 2.784 0 1 CFAF O=[S@@]1c2ccccc2SN1CCN1CCCCC1 27652034 LREIPDKMQRDVIJ-SFHVURJKSA-N 282.434 2.518 0 1 CFAF CC1=CC2=NC[C@@H](C(=O)c3ccccc3)CN2C=C1 3987289 WLFDRNUMJWIVIZ-CQSZACIVSA-N 252.317 2.673 0 1 CFAF CCSc1nc2c3ccccc3nc-2c(O)n1C 100705178 HIEGHGQJGJSZMK-UHFFFAOYSA-N 259.334 2.891 0 1 CFAF CC1(C)N([O])C(c2ccc(Cl)cc2)=[N+]([O-])C1(C)C 101105351 SKNHJUQLARUESZ-UHFFFAOYSA-N 267.736 2.815 0 1 CFAF OCC[C@]12N[C@@H](Cc3ccccc31)c1ccccc12 100649305 RMUFJRNMXTXAFQ-IRXDYDNUSA-N 251.329 2.513 0 1 CFAF CCC[C@]1(C(=O)c2ccc3[nH]ncc3c2)CCCN1 58583492 FTQBIVFBXYAAQX-OAHLLOKOSA-N 257.337 2.668 0 1 CFAF COc1ccc2c(c1)C(=O)[C@@H]1C=C([N+]#N)C=C[C@H]1N2 27436447 QBYHNPKUGOWAMX-ZYHUDNBSSA-O 254.269 2.595 0 1 CFAF CO[C@@]12C[C@@H](CO1)C(CO)=C1CC(C)(C)C[C@H]1[C@@H]2C 2356599904 QFXZTMBMDJGLJW-YWDSYVAPSA-N 266.381 2.740 0 1 CFAF CCCCC[C@@H](C[C@@H](O)C[C@@H]1CC=CC(=O)O1)OC 71411045 JJFJQEIHTAJVJL-RDBSUJKOSA-N 270.369 2.595 0 1 CFAF CCOC(=O)C(=O)/C=C\C(SC)=C(\O)c1ccccc1 38148032 SYGFTVZARGFKTC-KWUOUXIESA-N 292.356 2.965 0 1 CFAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1OCC2=O 40475221 FANDDLFIYCQQPS-YQFWSFKMSA-N 272.344 2.806 0 1 CFAF Fc1ccc(-c2ccn[nH]2)c([C@@H]2Cc3nccn3C2)c1 40980683 FRRVMSCOMUYFGM-SNVBAGLBSA-N 268.295 2.752 0 1 CFAF COC(=O)C[C@@H](CCCCCCC[C@@H](C)O)OC(C)=O 238731332 MSACOKMSHHWWRF-TZMCWYRMSA-N 288.384 2.593 0 1 CFAF CC1(C)OC(=O)C[C@H]1c1nc2ccc3ncccc3c2[nH]1 586909736 LUCVTUYMIAJFEV-JTQLQIEISA-N 281.315 2.920 0 1 CFAF Oc1nncc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 587153019 UWGKJEHITVGLAA-HTQZYQBOSA-N 288.257 2.608 0 1 CFAF N=C(N)c1ccc2nc(/C=C/c3ccc(N)cc3)[nH]c2c1 587251985 SPNJYRKCZAPUOG-FPYGCLRLSA-N 277.331 2.600 0 1 CFAF c1nncc2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12 586886874 DNNHYIMFVPBKDA-ZVXAKGHKSA-N 254.337 2.821 0 1 CFAF CC[C@@H](C)[C@@H]1CCCc2cc3c(O)nc(O)nc3nc21 587562424 ZZDKDHOCBLOBJW-SCZZXKLOSA-N 273.336 2.902 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccnc1F)O2 587387558 USWSEMVKTQUZHD-MRXNPFEDSA-N 286.306 2.992 0 1 CFAF CCc1ccc(C2=Nc3c(N)ncnc3OC2(C)C)cc1 169307736 YGGGNTNHWOZQTN-UHFFFAOYSA-N 282.347 2.913 0 1 CFAF CCCCO[C@H]1OC(=O)C(Cl)=C1N1CCCCC1 1857650724 IHRSMCGUNAHRQC-ZDUSSCGKSA-N 273.760 2.622 0 1 CFAF COc1ccc2c(c1)[nH]c1c(N3CCC3)nccc12 1857749683 USUOTMKWCDBRGI-UHFFFAOYSA-N 253.305 2.935 0 1 CFAF Cc1csc(Nc2ccc(OCCO)cc2)n1 1772648832 UTQRLUITCJCAKT-UHFFFAOYSA-N 250.323 2.566 0 1 CFAF C[C@]12CC[C@@H](O1)[C@H]1C=C[C@H](OC(=O)c3ccccc3)[C@H]12 1857580325 GTMUEWKJZBNQFD-LFYQSXPISA-N 270.328 2.966 0 1 CFAF Cc1ccc2ccccc2c1O[C@H](C)C1=NCCN1 27707144 SSDDZMWNJVSQDE-GFCCVEGCSA-N 254.333 2.917 0 1 CFAF C[C@H](C(=O)O)c1cccc(C(=O)c2nccs2)c1 28711087 MRKQWXWPXXOEQI-QMMMGPOBSA-N 261.302 2.562 0 1 CFAF Cc1occc1-c1nnc2n1N[C@@H](c1ccc[nH]1)S2 28712926 MUHMKVVGMJXQCE-LLVKDONJSA-N 273.321 2.523 0 1 CFAF CO[C@@H]1OCC2=C3CC(C)(C)C[C@@H]3[C@H](C)[C@H](O)C[C@H]21 2356671913 PBYZDERJNBDVLA-BOVGIHKQSA-N 266.381 2.739 0 1 CFAF CC(C)[C@H]1CC(=O)c2c(n(C)c3ccccc3c2=O)C1 27083066 KRMIBSTVVBDBGB-LLVKDONJSA-N 269.344 2.940 0 1 CFAF CSC[C@H]1C[C@H]2c3cccc4[nH]nc(c34)C[C@@H]2N(C)C1 40499147 GRJIHXZSQOIHFF-WBIUFABUSA-N 287.432 2.886 0 1 CFAF Fc1ccc([C@@H]2Cc3nccn3C2)c(-n2cccn2)c1 40395349 PUGMNVJZHKJJKF-LLVKDONJSA-N 268.295 2.548 0 1 CFAF C[C@@H]1CC(=O)c2c(coc2-c2c(O)cccc2O)[C@H]1O 49071309 ONTQFVIAKQPTQW-UOWDBTKRSA-N 274.272 2.614 0 1 CFAF CC(=O)[C@@H]1[C@H](c2ccccc2)[C@H]2C(C)=NN=C2C[C@]1(C)O 299887830 ZNLUTICYKJBZGH-HZMVEIRTSA-N 284.359 2.577 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1nccn1C)(C(C)C)O2 587388744 APCBTIMEZIOGHT-QGZVFWFLSA-N 299.374 2.827 0 1 CFAF CC/C(C)=C(/N)c1c(C)[nH]c2ccc(S(C)(=O)=O)cc12 587650339 JSZNMMHGHPAXHF-OQLLNIDSSA-N 292.404 2.980 0 1 CFAF C[C@]1(C(F)(F)C(F)F)NCCc2ccc(O)cc21 963342717 SFLRJEGCIRPDNT-NSHDSACASA-N 263.234 2.654 0 1 CFAF Cc1cc2c(cc1F)[C@H](CCCC(=O)O)NCC2 962373687 IUKMTIGKFFVZHD-ZDUSSCGKSA-N 251.301 2.576 0 1 CFAF O=C1NC[C@H](c2ccccc2)N1c1ccc2nccn2c1 1772648936 ATQDIKHTHKRYFL-CQSZACIVSA-N 278.315 2.605 0 1 CFAF CCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)no1 5196660 HEMZVVFDPIQUQT-UHFFFAOYSA-N 277.276 2.536 0 1 CFAF c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1 12354849 LIYXXFOSHNQSRD-UHFFFAOYSA-N 288.314 2.930 0 1 CFAF CCN(CC)C(=O)/C(=C\[C@H]1CCCN1)c1ccccc1 13529967 HOGSBAHGOUPFGD-NWCRWOLESA-N 272.392 2.690 0 1 CFAF Cn1c2c(c3ccccc31)[C@H](CNC(=O)C1CC1)CC2 13777853 NJPHIBYCXDQNBP-LBPRGKRZSA-N 268.360 2.734 0 1 CFAF COc1ccc2c3c(c(=O)[nH]c2c1OC)C(C)(C)[C@H](C)O3 14618002 MMYGSIFTRJOTAS-QMMMGPOBSA-N 289.331 2.604 0 1 CFAF CC(=O)Cc1cc(=O)c2c(C)cc3occc3c2o1 15222035 DKEVPQSVGDIHJO-UHFFFAOYSA-N 256.257 2.979 0 1 CFAF CC(C)CC(=O)c1c(O)oc(=O)c(C(=O)CC(C)C)c1O 169321094 RRZQFDOEQDEPMW-UHFFFAOYSA-N 296.319 2.509 0 1 CFAF Clc1ccc2nc3n(c2c1)C[C@@]1(CN2CCC1CC2)O3 1857641734 TVMZJGXLQAFRHU-OAHLLOKOSA-N 289.766 2.547 0 1 CFAF CO[C@]1(C)CCc2c(O)cc3c(c2O1)CC[C@](C)(OC)O3 1857749886 ZAOJFAXLHIBCCY-CVEARBPZSA-N 294.347 2.767 0 1 CFAF CCCCNC[C@H](O)COc1cccc2ccccc12 3642031 AITWWMQZEHPPKO-HNNXBMFYSA-N 273.376 2.969 0 1 CFAF CCCc1nc(NC)c2ncn(Cc3ccccc3)c2n1 3815867 FKEWAJYNLHGOLX-UHFFFAOYSA-N 281.363 2.869 0 1 CFAF CCN(CC)C(=O)Cn1ncc2c1-c1cc(C)ccc1OC2 6805913 UBRSCWZJYCKYFG-UHFFFAOYSA-N 299.374 2.619 0 1 CFAF CN1CC[C@]23c4c5cccc4O[C@@H]2CCC[C@@H]3[C@@H]1C5 100580878 HWXKCCDLLDWFIH-IARIHHJXSA-N 255.361 2.746 0 1 CFAF COc1ccc(SC)c2c1C[C@@H](N(C)C)CC2 29211039 QWRGGAVMFIBUMX-JTQLQIEISA-N 251.395 2.836 0 1 CFAF CCOC(=O)c1ccc(C2=CN3CCC2CC3)cc1 29055881 NNXWGBRKIMLHHS-UHFFFAOYSA-N 257.333 2.930 0 1 CFAF O=C(NCc1ccc(O)cc1)c1cc2cc(O)ccc2[nH]1 27551727 XEMIZTKHZBEFSG-UHFFFAOYSA-N 282.299 2.509 0 1 CFAF CN1[C@H]2CC[C@@H]1[C@H](/C=C/CO)[C@H](c1ccccc1)C2 36177434 BAROFIYZXNPKFU-QFFZIOFKSA-N 257.377 2.801 0 1 CFAF CC[C@H](C)COc1cc([C@H]2CNC(=O)C2)ccc1OC 29233441 CTBFKVULAKMSGK-WCQYABFASA-N 277.364 2.724 0 1 CFAF c1cc(Nc2nsc(Nc3ccncc3)n2)ccn1 29124059 PYLRKVOZUCZBLA-UHFFFAOYSA-N 270.321 2.815 0 1 CFAF O=C(O)c1cn2c3c(c(Cl)c(F)cc3c1=O)SCC2 27524590 KHJUQCTWNGBCIS-UHFFFAOYSA-N 299.710 2.598 0 1 CFAF CC(C)N(C(=S)SCC1=CC(=O)OC1)C(C)C 71332936 KCRQOLKURDZZLK-UHFFFAOYSA-N 273.423 2.607 0 1 CFAF Cc1cc(Nc2c(F)cc(F)cc2F)n2ncnc2n1 40430519 VBQSTNKULZAPID-UHFFFAOYSA-N 279.225 2.594 0 1 CFAF CSc1nccc(-c2ccc3ccnc(N)c3c2)n1 45167968 IPRFDNYJQOYWQJ-UHFFFAOYSA-N 268.345 2.996 0 1 CFAF Clc1ccc(-c2ccc(-n3ccnc3)nn2)cc1 653788062 YWYCETYLBLGALY-UHFFFAOYSA-N 256.696 2.983 0 1 CFAF CC1(C)COc2c(-c3nc4cc[nH]c(=N)c4[nH]3)cccc21 586911199 FPOYKNABNLBAJP-UHFFFAOYSA-N 280.331 2.707 0 1 CFAF COc1cccc2nc(-c3cnc([C@@H](C)O)s3)[nH]c12 587021401 HROMYYYVUHKUDE-SSDOTTSWSA-N 275.333 2.748 0 1 CFAF COc1cc2c3c(c1)O[C@]1(CCc4cccnc41)[C@@H](C2)C3=O 587436373 PEFXKMZMFIHYAD-SCLBCKFNSA-N 293.322 2.679 0 1 CFAF COc1nccc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c12 586908607 SIHOMCHDUFVXSC-VIFPVBQESA-N 297.314 2.547 0 1 CFAF Oc1nc(-c2nc3c(F)cnc(Cl)c3[nH]2)cs1 587018366 WXPSAAKVCJSDEC-UHFFFAOYSA-N 270.676 2.580 0 1 CFAF Oc1nncc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586889645 MJLPQVGSKFEDPC-AMDHYVTDSA-N 270.336 2.526 0 1 CFAF COc1ccc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c2n1 586906860 RUYZZPILNFQDHL-WQLSENKSSA-N 293.282 2.635 0 1 CFAF NC[C@H]1C=C(c2ccc(-c3ccccc3)cc2)NO1 958574784 FFMGFGNCRDPLRR-OAHLLOKOSA-N 252.317 2.557 0 1 CFAF CC[C@@H](C)[C@]1(C(=O)O)NCCc2c1sc(C)c2C 963032673 UWVCXXZWKIGFJV-CLAHSXSESA-N 267.394 2.837 0 1 CFAF Cc1ccc(N=c2nc(C[C@@H](C)O)[nH]s2)cc1Cl 1857774786 MYXMKSMXDMBBTE-MRVPVSSYSA-N 283.784 2.589 0 1 CFAF CC12CC3(C)CC(C)(C1)CC([C@@H](O)C(=O)O)(C2)C3 5757402 RFWQNTZBNXRVDC-MGZXXMPLSA-N 252.354 2.819 0 1 CFAF COc1ccc(OC)c(C(=O)OCc2ccccc2)c1O 14775639 ASQGNSYUWXVREW-UHFFFAOYSA-N 288.299 2.766 0 1 CFAF biogenic,in-vitro O=C1N[C@@H](c2c[nH]nc2-c2ccccc2)Nc2ccccc21 1857635046 QOHBGVYDOOHUGI-INIZCTEOSA-N 290.326 2.931 0 1 CFAF O[C@H]1C[C@@H]2CCCN(CCc3c1[nH]c1ccccc31)C2 1654396 RKGINSSVMLCQKI-LRDDRELGSA-N 270.376 2.860 0 1 CFAF CC1=C[C@H](Cc2ccccc2)[C@@H](C(C)(C)O)C[C@@H]1O 2356372995 PWGBVOTVOLKUPY-PMPSAXMXSA-N 260.377 2.943 0 1 CFAF CCSc1ccc2nnc(-c3cccs3)n2n1 4326547 IDFIYCKEDYYVKR-UHFFFAOYSA-N 262.363 2.965 0 3 CFAF O=C(O)/C(O)=C/c1ccc(Oc2ccc(F)cc2)cn1 28649756 LQEDRFZJSDQXRA-QPEQYQDCSA-N 275.235 2.997 0 1 CFAF CCOC(=O)c1[nH]cc(C(=O)O[C@H]2C[C@@H]3CC[C@@H]2C3)c1C 101441933 OADZOHBDSYHZTK-WZRBSPASSA-N 291.347 2.845 0 1 CFAF COc1ccccc1C(=O)OCc1nc(C)c(C)nc1C 26258302 DWRYIYZOTOTPOW-UHFFFAOYSA-N 286.331 2.767 0 1 CFAF COc1cc(O)cc(/C=C2\SC(=S)N=C2O)c1 28883119 LSVTZBNOOSOZLV-WTKPLQERSA-N 267.331 2.730 0 1 CFAF COc1ccc(N2C(=O)c3ccccc3C2=O)cc1N(C)C 29038405 DWTTWGPSTKIBNF-UHFFFAOYSA-N 296.326 2.562 0 1 CFAF CC1=CCC[C@H](C)C(=O)C[C@@H]2[C@@H](C1)OC(=O)[C@@H]2C 2356415822 YBYPSUAEZKMISR-KZVDOYCCSA-N 250.338 2.890 0 1 CFAF CC(=O)NCCc1cccc2c1C1=CC=CO[C@@H]1C=C2 27298919 WHODINVXYBFXQR-MRXNPFEDSA-N 267.328 2.688 0 1 CFAF O=c1nc(-c2ccc(O)cc2)cc(-c2ccccc2)[nH]1 33848035 WLYWOBKVNWZXBL-UHFFFAOYSA-N 264.284 2.810 0 1 CFAF C[C@@H](CO)CC(=O)C[C@@]1(C)CC[C@H](c2ccoc2)O1 85592675 LKVKWNDXOWODLO-KCPJHIHWSA-N 266.337 2.868 0 1 CFAF endogenous,in-man COc1ccc(-n2cc(Cl)nc(Cl)c2=O)cc1 42922092 YSEQCFKPNCSVRS-UHFFFAOYSA-N 271.103 2.548 0 1 CFAF COc1cc2c(c(OC)c1OC)C=CC(C)(C)O2 220520462 NDLOYYXXZRDRRS-UHFFFAOYSA-N 250.294 2.897 0 1 CFAF O=C1[C@H](O)C[C@]23CCCN1[C@@H]2c1c([nH]c2ccccc12)CC3 199798423 KLYJAYKJNHMFJX-QGPMSJSTSA-N 296.370 2.529 0 1 CFAF Cc1ccc(Cc2c(C)nc3nc(N)nc(N)c3c2C)cc1 45211234 OSWWJMZWJSENJS-UHFFFAOYSA-N 293.374 2.705 0 1 CFAF Nc1nccc(-n2cc(-c3ccoc3)c3cnccc32)n1 95603603 HQXQQINRSRUUEJ-UHFFFAOYSA-N 277.287 2.658 0 1 CFAF OCc1cccc(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 586895416 ZXCARZDTEJRSCV-UHFFFAOYSA-N 277.686 2.910 0 1 CFAF C[C@H]1CCc2sc(-c3nc4ncnc(N)c4[nH]3)cc2C1 587032905 CVHKSLRBILYTDJ-ZETCQYMHSA-N 285.376 2.788 0 1 CFAF CCOCCOCc1nc2cc(Cl)nc(Cl)c2[nH]1 587778217 IOFGKYXWISMHSK-UHFFFAOYSA-N 290.150 2.818 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(C)oc1C)O2 587394736 ZUMLQIUIVQHBNX-CYBMUJFWSA-N 272.304 2.889 0 1 CFAF COc1cc(-c2c(C)[nH]c3c(C(=O)O)cccc23)ncn1 587639478 XLJBTMSYRLFYGE-UHFFFAOYSA-N 283.287 2.640 0 1 CFAF O=C(O)[C@H]1CC[C@@H](Nc2nccc(-c3cccnc3)n2)CC1 957686126 MEFBWVMSSASICE-BJHJDKERSA-N 298.346 2.594 0 1 CFAF Oc1ccc2c(c1)[C@@H](CCOC1CCCC1)NCC2 963343379 UXJNWUPAJXPILG-MRXNPFEDSA-N 261.365 2.928 0 1 CFAF COc1c(C)c(O)c(C)c(O)c1C(=O)CC(C)C 1857595266 YZIBVYCWHAWMGN-UHFFFAOYSA-N 252.310 2.952 0 1 CFAF O=c1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)[nH]o1 164806452 ZGKZWYIUCWLEET-UHFFFAOYSA-N 296.261 2.712 0 1 CFAF O[C@@]1(c2ccccc2Cl)Cc2ccccc2C2=NCCN21 27872492 UHCJZTKRADXJBR-QGZVFWFLSA-N 298.773 2.804 0 1 CFAF CCN(CCCCO)[C@H]1CCc2cc(OC)ccc2C1 28764957 FIVSQMBVXQDIGG-INIZCTEOSA-N 277.408 2.647 0 1 CFAF Nc1nc(Nc2ccc(Cl)c(Cl)c2)nc2[nH]cnc12 1647867 QUQWBNJQTLWIEB-UHFFFAOYSA-N 295.133 2.986 0 1 CFAF CC1=C[C@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)N1CCCC1 2356320171 KXDPCDWIKHFAHD-XHSDSOJGSA-N 279.424 2.846 0 1 CFAF O=P(O)(O)/C=C/CCSc1cc(F)ccc1O 3870978 UXOYJQMPYTYCMG-ORCRQEGFSA-N 278.241 2.705 0 1 CFAF in-vivo Cc1cccc([C@H]2N(c3nccs3)C(=O)[C@H]3CCCN32)c1 59814401 TWVRKYZBBYRSFS-ZIAGYGMSSA-N 299.399 2.961 0 3 CFAF Oc1ccc(-c2nnc(-c3ccccc3O)s2)c(O)c1 28712185 GNZCRIMVTIUDOG-UHFFFAOYSA-N 286.312 2.989 0 1 CFAF Nc1ccc2oc(-c3cccc(F)c3)c(O)c(=O)c2c1 58583094 NMQWWIMFOUQJFP-UHFFFAOYSA-N 271.247 2.887 0 1 CFAF O=C1[C@H]([C@H](O)c2ccccn2)CCCN1Cc1ccccc1 103295728 PAAXSNLDEXOHBR-RDJZCZTQSA-N 296.370 2.554 0 1 CFAF COC(=O)C=C(C)CCC=C(C)CC[C@@H](O)C(C)(C)O 2356387217 MBJDYYPZJXVUHJ-CQSZACIVSA-N 284.396 2.744 0 1 CFAF Cc1cc(Nc2nn(CC(C)C)c(=O)c3ccccc23)n[nH]1 66104007 SNLGNBKBVNOLQN-UHFFFAOYSA-N 297.362 2.828 0 1 CFAF Cc1noc(C)c1Cn1cc(NC(=O)c2ccccc2)cn1 115731469 IIEXQVOMUDEHHI-UHFFFAOYSA-N 296.330 2.789 0 1 CFAF c1ccc(-c2cc3ncnc(N4CCCCC4)n3n2)cc1 26499590 UVALNBKLWZQBPJ-UHFFFAOYSA-N 279.347 2.782 0 1 CFAF CCC(=O)N1CC[C@]1(C)C(=O)Nc1ccc(C)c(C)c1 61907801 NJYXJLNOBSVHIO-MRXNPFEDSA-N 274.364 2.643 0 3 CFAF Cc1ccc(Nc2cnccc2NS(C)(=O)=O)cc1 49000327 QUVHDJSZHHKWSL-UHFFFAOYSA-N 277.349 2.505 0 1 CFAF CNC(=S)N1NC2=C(CCCC2)[C@@H]1c1cccs1 45357677 GNONMTQBVISFEP-GFCCVEGCSA-N 279.434 2.942 0 1 CFAF Cc1cc(Nc2cccc3cccnc23)n2ncnc2n1 299866091 OJAYQJJCUKXXOX-UHFFFAOYSA-N 276.303 2.725 0 1 CFAF Cc1ccnc2[nH]c(/C=C\S(=O)(=O)c3ccccc3)nc12 586923971 BZLWKDWPTLXIOU-NTMALXAHSA-N 299.355 2.711 0 1 CFAF Nc1ncc(Cl)nc1-c1nc2cnc3ccccc3c2[nH]1 587086420 JRNIZCODTVOVOZ-UHFFFAOYSA-N 296.721 2.804 0 1 CFAF Fc1cncc(-c2nc3ccc(Br)nc3[nH]2)c1 587177126 QMDGWBUIKVSRNW-UHFFFAOYSA-N 293.099 2.922 0 1 CFAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cncnc2[nH]1 587932486 PAGMJLKGZYCNEL-BDJLRTHQSA-N 280.331 2.807 0 1 CFAF FC(F)(F)c1ccccc1Cc1nc2cnncc2[nH]1 587106486 DFSIPOVXYGIVKR-UHFFFAOYSA-N 278.237 2.963 0 1 CFAF Cc1sc2c(c1C)CCN[C@]21CCN(C)[C@H](C)C1 963034013 WYLYHAFMAIWRKS-BMIGLBTASA-N 264.438 2.820 0 1 CFAF Cc1sc2c(c1C)CCN[C@]2(CO)c1ccc(F)cc1 963029231 RFKBJSSTMCNMGS-MRXNPFEDSA-N 291.391 2.886 0 1 CFAF C/C(N)=C\[C@]1(C)c2ccc(F)cc2C[C@H]2CCCN21 963089409 HKLYHAYRZLEPSQ-HOQKPLRVSA-N 260.356 2.924 0 1 CFAF COc1ccccc1CNc1ncnc(Cl)c1/C=N/O 205645070 WGJULWYKMUOKKX-CNHKJKLMSA-N 292.726 2.559 0 1 CFAF C[C@@H]1C(=O)S[C@](C)(Cc2cc(F)cc(F)c2)C1=O 169717834 KSLVQTGXSWEYIO-WPPNPWJKSA-N 270.300 2.745 0 1 CFAF COCCNc1ncnc2ccc(-c3ccoc3)cc12 4239366 PEGCKCNCCQZMKI-UHFFFAOYSA-N 269.304 2.948 0 1 CFAF CCCc1nc(SC)ncc1C(=O)Nc1nccs1 6938448 GMZYGMDFLZMHIL-UHFFFAOYSA-N 294.405 2.860 0 1 CFAF O=C1c2ccccc2O[C@@H]2COc3ccccc3[C@H]12 29342821 YMAFBYZMZOUTKO-CABCVRRESA-N 252.269 2.807 0 1 CFAF Cc1ccc(Oc2nn3c(N)nnc3c3ccccc23)cc1 64447849 PNRZWEFBDYPOID-UHFFFAOYSA-N 291.314 2.960 0 1 CFAF CCCC=CC=CCCCCC[C@@H]1C[C@@H](O)[C@H](N)CN1 2356785651 ALPPRTQKVXDWNZ-BRWVUGGUSA-N 280.456 2.900 0 1 CFAF Nc1nc(N)c2cc(Sc3ccccc3)ccc2n1 32267274 ZPCHLRLETWGWJB-UHFFFAOYSA-N 268.345 2.945 0 1 CFAF COc1cccc(-c2cncc(CNC3CC3)n2)c1F 71340845 WHCICWBHRUWEDA-UHFFFAOYSA-N 273.311 2.543 0 1 CFAF O=C(O)Cn1c(-c2ccccc2)c(-c2ccccc2)oc1=O 38880369 ANUZNUZVUXSPIF-UHFFFAOYSA-N 295.294 2.860 0 1 CFAF CCCc1nn(C)c2c(=O)[nH]c(-c3ccc(C)cc3)nc12 84724023 OCFBOAAUWWKSNG-UHFFFAOYSA-N 282.347 2.585 0 1 CFAF COCCn1c(C(C)C)nc2c(NCC(C)C)ncnc21 82178122 SVQRDIKPVSBHTA-UHFFFAOYSA-N 291.399 2.664 0 1 CFAF C[C@H]1C[C@H]2OC(=O)[C@@H](C)[C@H]2C[C@]2(C)C(=O)CC[C@@H]12 238778327 SMONPNAHOSGWNR-PEZSEORZSA-N 250.338 2.579 0 1 CFAF NS(=O)(=O)c1ccc(-c2cc3ccccc3o2)cc1 653713051 WFRSMRFJLFEYKR-UHFFFAOYSA-N 273.313 2.747 0 1 CFAF Brc1cc2nc(C3CC4(COC4)C3)[nH]c2cn1 586916164 KUZQORLXDCTEQK-UHFFFAOYSA-N 294.152 2.614 0 1 CFAF COc1cc(C)ccc1OCc1nc2cc(F)cnc2[nH]1 587564406 QRFFCBGAPAQWHX-UHFFFAOYSA-N 287.294 2.993 0 1 CFAF COc1ccc2c(c1)C[C@H](c1nc3cc(=N)[nH]cc3[nH]1)CC2 587945540 GBWBGBQLOFISED-LLVKDONJSA-N 294.358 2.652 0 1 CFAF Nc1ccc(F)c(Cc2nc3ccc(O)cc3[nH]2)c1 587141097 LGDIFKBKIPHNPO-UHFFFAOYSA-N 257.268 2.581 0 1 CFAF COc1cncc2nc(CCc3scnc3C)[nH]c12 587028027 MSTDEMCKZJVJKS-UHFFFAOYSA-N 274.349 2.517 0 1 CFAF CCN1C(=O)C[C@@]2(C=C1C)NCCc1cc(C)c(F)cc12 962143682 IJZAUYPNQRUQFX-QGZVFWFLSA-N 288.366 2.631 0 1 CFAF Brc1ccc(OCCc2c[nH]cn2)cc1 13758836 BBXMDKJQTUCCJM-UHFFFAOYSA-N 267.126 2.794 0 1 CFAF CC1=NN(c2ccc3c(c2)C(C)(C)N([O])C3(C)C)C(=O)C1 169330354 UAXDFFRXXQSREP-UHFFFAOYSA-N 286.355 2.931 0 1 CFAF CCCCn1c(Sc2ccccc2)c(C)c(=O)[nH]c1=O 6380044 LRAWIWVJQCNVJX-UHFFFAOYSA-N 290.388 2.796 0 1 CFAF CC(=O)O[C@@H]1[C@H]2CCC[C@@H]1[C@H](N1CCCCC1)CC2 517734 KSJDJOYKEJTGAN-ZJIFWQFVSA-N 265.397 2.983 0 1 CFAF CCCSc1nsnc1[C@H]1CN2CCC[C@@H]1C2 1539983 ZZGXRPGQPAPARK-ZJUUUORDSA-N 269.439 2.849 0 1 CFAF O=Cc1ccc([C@H](C2CCCC2)[C@@H]2CC[C@@]3(O)C[N@@]23)cc1 2356358810 XQLWYOLOCMKXIM-OKYOBFRVSA-N 285.387 2.940 0 1 CFAF O=C(C=Cc1ccc(O)cc1)OCCc1ccc(O)cc1 2356404856 ZCFLGZLKECDZFW-UHFFFAOYSA-N 284.311 2.897 0 1 CFAF COc1ccc(CNc2nc(C)nc(C(F)(F)F)n2)cc1 103283021 ICVSQQXEKNTKQU-UHFFFAOYSA-N 298.268 2.820 0 1 CFAF COc1c([C@H](O)c2ccccc2)c(=O)oc2ccccc12 26480586 DXQZQCLHYLYJQU-OAHLLOKOSA-N 282.295 2.883 0 1 CFAF CC(C)c1cccc(C(C)C)c1OC(=O)CNCC(=O)O 1911572732 KHSBFCXUGLVPRC-UHFFFAOYSA-N 293.363 2.513 0 1 CFAF CC(=O)c1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1 72178971 UMEIWHXVOIFVIG-UHFFFAOYSA-N 290.344 2.988 0 1 CFAF CC(C)(C#N)NC(=O)c1cc(OCC2CC2)c(Cl)cn1 149214934 VILDYRPHBJOOHE-UHFFFAOYSA-N 293.754 2.556 0 1 CFAF CC1=C[C@@H]2CC3=CC(=O)N(CC(=O)O)[C@H]3C(C)(C)[C@H]2CC1 140509860 VYQPVVNDUJVMSE-PVXIVEMSSA-N 289.375 2.611 0 1 CFAF COc1cc(/C=C/COC(=O)C(C)C)cc(OC)c1O 238758803 FSWPYMKNTNNDMB-AATRIKPKSA-N 280.320 2.622 0 1 CFAF COC(=O)Cn1nc(-c2ccccc2)c2ccc(OC)cc21 95771551 HDORUHVDNKATMY-UHFFFAOYSA-N 296.326 2.885 0 1 CFAF Cc1ncsc1-c1c[nH]cc1-c1nc2cnncc2[nH]1 587028768 WAEQCUZVDRSTPJ-UHFFFAOYSA-N 282.332 2.780 0 1 CFAF O=C(O)Cc1c(-c2ccccn2)[nH]c2cccc(F)c12 587636803 JJYQJTHRQVBOGH-UHFFFAOYSA-N 270.263 2.996 0 1 CFAF Cc1cccc(Cc2cc3c(O)nc(O)nc3nc2C)c1 587561609 SOBLDIQJEMUKOV-UHFFFAOYSA-N 281.315 2.644 0 1 CFAF CCOC(=O)c1[nH]c2cccc(F)c2c1C(=O)C(F)F 587633442 BZABZSHSCZWDQY-UHFFFAOYSA-N 285.221 2.932 0 1 CFAF CC[C@@H]1OCCC[C@H]1c1nc2cc(OC)ncc2[nH]1 586914272 VAKMJMVVBIIZPV-SKDRFNHKSA-N 261.325 2.639 0 1 CFAF C[C@H](F)[C@@H](N)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587123952 LPMBEAJBJFPHPK-FIQSIYOXSA-N 263.650 2.852 0 1 CFAF CCOC(=O)[C@H](C)[C@]1(C)NCCc2cc(Cl)ccc21 963390898 OHOBGKKTJVEXLE-BONVTDFDSA-N 281.783 2.900 0 1 CFAF CC1(C)Cc2cccc(Cl)c2N2CCNC[C@H]21 1772629170 ONAWUUDVLOPFDC-LBPRGKRZSA-N 250.773 2.701 0 1 CFAF CCOCCn1c(C)c(C(C)=O)c2cc(O)ccc21 5127551 HHLBBKUTHQZURZ-UHFFFAOYSA-N 261.321 2.894 0 1 CFAF O=C(Nc1n[nH]c2nc(-c3ccco3)ccc12)C1CC1 13538634 FJINJXZTEKDFRA-UHFFFAOYSA-N 268.276 2.566 0 1 CFAF COc1cc2c(cc1F)C[C@@H](N)[C@@H]2c1ccccc1 13642453 YSNFWCPQDAHZFB-GDBMZVCRSA-N 257.308 2.850 0 1 CFAF OC[C@H](O)CNc1cc(-c2ccccc2)nc2ccccc12 13818361 RWFHLHWXCFHHCB-CQSZACIVSA-N 294.354 2.667 0 1 CFAF CCn1c(=O)ccc2cnc(Nc3ccc(OC)cc3)nc21 13835409 KMUPOOOPAVCTHA-UHFFFAOYSA-N 296.330 2.564 0 1 CFAF COc1ccc2c(c1)C(=O)C(c1ccc(O)cc1)=N2 169308446 IEXQRZZFNYZYED-UHFFFAOYSA-N 253.257 2.718 0 1 CFAF Cc1ccc(S(=O)(=O)[N@]2C[C@H]2C2CCCCC2)cc1 2356320370 BTJYPSWDXLYTKQ-JKSUJKDBSA-N 279.405 2.948 0 1 CFAF CC1(C)CCC[C@@H]2[C@H](CC(=O)O)C(CO)=CC[C@H]21 2356329348 BQGCOWVVISEYKL-JHJVBQTASA-N 252.354 2.842 0 1 CFAF O=C(Oc1ccc(Cl)c(Cl)c1)P(=O)(O)O 3653705 MMKWHWAYPNDSPB-UHFFFAOYSA-N 270.992 2.670 0 1 CFAF COC(=O)c1ccccc1/N=c1\ssnc1Cl 6482705 HLBCMPGFJBFSRG-XFXZXTDPSA-N 286.765 2.877 0 1 CFAF Nc1nc(=O)[nH]c2c1[C@H](c1ccccc1)c1ccccc1O2 103290763 UHUBVRNIKOTRJX-CYBMUJFWSA-N 291.310 2.638 0 1 CFAF COc1cc(-c2cccnc2)cc2c1NC(=O)CC2 26498368 XMLQAVJNJZRIGK-UHFFFAOYSA-N 254.289 2.642 0 1 CFAF COc1cc(C2=C[C@@H]3CNC[C@@H](C2)C3)cnc1Cl 101577064 IMWUFTIDVKJBTJ-NXEZZACHSA-N 264.756 2.756 0 1 CFAF Cc1ccc2c(=O)c(Cc3ccccc3)c[nH]c2n1 28527026 QRUPNIJLOWMQBO-UHFFFAOYSA-N 250.301 2.822 0 1 CFAF in-vivo CC(C)(C)COC(=O)CCc1ccc(O)cc1O 28645009 BTKLIJRXYKDUFV-UHFFFAOYSA-N 252.310 2.620 0 1 CFAF NC1=N[C@H](c2ccc(F)cc2)Cc2cccc(F)c21 25976281 LCRLDHTZCMPEPS-ZDUSSCGKSA-N 258.271 2.968 0 1 CFAF COc1ccc(C[C@@H]2OC(=O)[C@@H](CCC(C)=O)[C@H]2C)cc1 2356705816 FQDIKVIRFICCSR-KCXAZCMYSA-N 290.359 2.785 0 1 CFAF COc1ccc(OC)c([C@@H]2NCCc3cc(O)ccc32)c1 3727917 RPLKKBMVAFFELN-QGZVFWFLSA-N 285.343 2.645 0 1 CFAF biogenic CNC[C@@H](O)[C@@H](c1ccccc1)c1ccc(C)cc1 39245459 JJBATQZWEQQLMU-SJORKVTESA-N 255.361 2.707 0 1 CFAF N[C@@H]1CCN(c2ncnc3c2oc2ccc(Cl)cc23)C1 49069496 AWMDLMLCVFXVMN-SECBINFHSA-N 288.738 2.567 0 1 CFAF Cn1cc(-c2ccc(O)cc2)c(=O)c2ccccc21 40972700 RCNGXVPUFFXTGW-UHFFFAOYSA-N 251.285 2.911 0 1 CFAF CC(C)C[C@H]1Cc2[nH]c(-c3ccncc3)cc2C(=O)N1 40976441 DNQQOYHORIBFLK-LBPRGKRZSA-N 269.348 2.777 0 1 CFAF Cn1cc(C(=O)O)c(=O)c2cc(Cc3ccccc3)ccc21 43022688 YHICWKIYXVAYML-UHFFFAOYSA-N 293.322 2.828 0 1 CFAF NC1CCC(N[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 149657859 GADXVPHSTSJKLA-WKQXJPDBSA-N 266.335 2.680 0 1 CFAF CC(=O)O[C@H]1C(=O)CCC2=C[C@H](O)C[C@@H](C)[C@]2(C)C=C1C 238742895 WWORHCJQQVZJAT-PREXVCJDSA-N 292.375 2.561 0 1 CFAF O=C1CCc2cc([C@@H](C3CC3)n3ccnc3)cc3c2N1CC3 95553135 CPGZFWITSZFDAF-QGZVFWFLSA-N 293.370 2.718 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc3[nH]cncc1-3)O2 587396899 QZGUSHGUIDTUAL-CQSZACIVSA-N 294.314 2.507 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1cc(C)on1)[C@@H](C2)C3=O 587437106 WVNNRELPPGZOFV-ZBEGNZNMSA-N 285.299 2.654 0 1 CFAF Nc1cccc(C(=O)O)c1-c1nc2ccnc(Cl)c2[nH]1 587248293 LUHQONJYHFJVCT-UHFFFAOYSA-N 288.694 2.559 0 1 CFAF Fc1ccc2c(c1)C[C@H](c1nc3cccnc3[nH]1)O2 587175289 XKDJRVGNWHJKHY-GFCCVEGCSA-N 255.252 2.773 0 1 CFAF Cc1ccc(C)c2[nH]c(-c3nc(Cl)cnc3N)nc12 587088509 YQFZNFVVFMWXJL-UHFFFAOYSA-N 273.727 2.872 0 1 CFAF CCCCCC[P@@](=O)(O)OC[C@@H]1COC(C)(C)O1 5973161 HYUHDRQWMBBBMK-NSHDSACASA-N 280.301 2.920 0 1 CFAF Oc1nc2cccc3c2n1C[C@@H](N(CC1CC1)CC1CC1)C3 12356043 CHKVHTHJMWJGNJ-HNNXBMFYSA-N 297.402 2.789 0 1 CFAF O=c1c2cnc3ccccc3c2[nH]n1-c1ccsc1 13490705 YHYFNJOSLJBUHN-UHFFFAOYSA-N 267.313 2.929 0 1 CFAF CO[C@@H](c1c[nH]cn1)c1sccc1Br 13862253 XVGBCLJGMXHPIV-QMMMGPOBSA-N 273.155 2.970 0 1 CFAF O[C@]12CC[C@]3(O)c4ccccc4[C@H]3[C@H]1c1ccccc12 17220224 IBFYXVGIKWIZIM-MHORFTMASA-N 264.324 2.750 0 1 CFAF Cc1nnc(CCCN2CCCC[C@H]2c2nccs2)[nH]1 19731021 YRMKYMWIKIIPRZ-LBPRGKRZSA-N 291.424 2.729 0 1 CFAF COc1ccc(SC)c2c1C[C@H]1[C@H](C2)O[C@@H](C)CN1C 169325995 AIHRHPNPPYSHMX-XEGUGMAKSA-N 293.432 2.603 0 1 CFAF Cc1[nH]cnc1CCC(=O)N1CC(C)(C)c2ccccc21 4171 SSQNUJKKRPIPQK-UHFFFAOYSA-N 283.375 2.975 0 1 CFAF CNC(=S)C1(C(=O)c2ccc(-n3ccnc3)cc2)CCC1 5768 TUMUOLDYJYUKOV-UHFFFAOYSA-N 299.399 2.772 0 1 CFAF CC(C)=CCc1cccc2c3c([nH]c12)CN[C@H](C(=O)O)C3 2356460444 VQSWVFALFFYCMJ-AWEZNQCLSA-N 284.359 2.776 0 1 CFAF O=C(C1CC1)[C@H](c1ccccc1F)N1C(=O)CSC1=O 103264276 CEKBCKUTZKSOHY-LBPRGKRZSA-N 293.319 2.541 0 1 CFAF CNCCCOc1ccccc1-c1nc2ncccc2[nH]1 29204467 ONTSNNYZYZHMHS-UHFFFAOYSA-N 282.347 2.613 0 1 CFAF C[C@@H]1CCc2c([nH]c(=O)c(-c3ccccc3)c2O)C1 26181483 VPWTZJBXKSFWRP-SNVBAGLBSA-N 255.317 2.872 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2cccc(F)c2)C[C@@H]2CC[C@H]1N2C 26725602 KBWLRHKLMPNABK-GBJTYRQASA-N 277.339 2.565 0 1 CFAF CCC(=O)N(c1ccccc1)[C@@H]1CCCN(C)CC1 27989339 SOVOJKBYFSXHSC-OAHLLOKOSA-N 260.381 2.914 0 1 CFAF COC(=O)C1=C(c2ccc(Cl)cc2)[C@H]2CC[C@@H]1O2 28825725 QAWMAJZYTBWZOZ-MNOVXSKESA-N 264.708 2.828 0 1 CFAF Cc1cn2cc(-c3cc4ccccc4oc3=O)nc2cn1 64448673 RRFJJEIQBZGGFO-UHFFFAOYSA-N 277.283 2.811 0 1 CFAF CCC1(CC)CNC(=O)c2cc(-c3ccncc3)[nH]c21 34639852 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ZFZUZNNMVNJFKM-UHFFFAOYSA-N 268.272 2.757 0 1 CFAF CC(=O)c1ccc2nc(C[C@H]3CCC(=O)[C@H]3C)[nH]c2c1 587961967 HMXCCZQUIHPYMP-GXSJLCMTSA-N 270.332 2.923 0 1 CFAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cncnc2[nH]1 587150589 MICFRHADADAKQJ-SSDOTTSWSA-N 276.246 2.771 0 1 CFAF Cc1sc2c(c1C)CCN[C@@]21CCN(C)[C@@H](C)C1 963034029 WYLYHAFMAIWRKS-ZUZCIYMTSA-N 264.438 2.820 0 1 CFAF COc1cccc(S(=O)(=O)/C=C/c2ccncc2)c1 1857573488 BGEXJTGUFIGZKU-JXMROGBWSA-N 275.329 2.535 0 1 CFAF CCN1c2ncccc2-c2nnc(C)n2-c2cccnc21 5841661 UGZCLRJACBWSJM-UHFFFAOYSA-N 278.319 2.504 0 1 CFAF CCN(CC)c1nc2sc(C)c(C)c2c(=O)o1 13678134 HMMASMRUGGJUPA-UHFFFAOYSA-N 252.339 2.713 0 1 CFAF CS(=O)(=O)c1nc(-c2ccccn2)cc2ccccc12 13781343 XJYHRRBETQJFJN-UHFFFAOYSA-N 284.340 2.700 0 1 CFAF NCc1cc(=O)c2cccc(OCCc3ccccc3)c2o1 1857550945 UJYYVOSEMJHPIU-UHFFFAOYSA-N 295.338 2.873 0 1 CFAF O=C1c2ccccc2-n2c1nc1cc(Cl)ccc1c2=O 1655207 BZVZEQMQAGMPDX-UHFFFAOYSA-N 282.686 2.584 0 1 CFAF C[C@@H]1CC(=O)CCCCCc2cc(O)cc(O)c2C(=O)O1 2356323447 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N[C@@H](N=O)c1ccc2nc(CCc3cccc(O)c3)[nH]c2c1 586896835 ZGVLHCCMRXHVNX-INIZCTEOSA-N 296.330 2.777 0 1 CFAF CCc1ccc2nc(Cc3ccc(=N)[nH]c3)[nH]c2c1 587255094 XXTBQMHHLDJQJD-UHFFFAOYSA-N 252.321 2.524 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(C1CC1)O2 587387674 RNVBKDFGBFZSKG-LXXRFIIISA-N 286.375 2.767 0 1 CFAF Nc1cccc(O)c1-c1nc2ccc(Cl)nc2[nH]1 587251124 ZLTPKKJKOIQAQK-UHFFFAOYSA-N 260.684 2.566 0 1 CFAF CCN1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@H](C)C1 587395479 MUPRSARJCMQMLT-SJCJKPOMSA-N 288.391 2.643 0 1 CFAF CC1(C)C(c2ccc3c(O)nc(O)nc3n2)C1(C)C 587561187 FAVKMRXVHNHHPM-UHFFFAOYSA-N 259.309 2.586 0 1 CFAF CCCn1c(=O)n(-c2ccccc2)c2ncccc21 169320926 FFWGSJCJDPZQTJ-UHFFFAOYSA-N 253.305 2.597 0 1 CFAF Cc1ccnc2c1NC(=N)c1cccnc1N2C1CC1 71789499 PMFNBEGRVUUDKX-UHFFFAOYSA-N 265.320 2.836 0 1 CFAF Cc1c(F)ccc2c1[C@H](c1ncc([C@@H](C)O)s1)NCC2 962089063 FSCQHSOKRZIDJE-YMTOWFKASA-N 292.379 2.879 0 1 CFAF c1ccc2nc(-c3ccc(N4CCOCC4)nn3)ccc2c1 207513623 GKYXMDVTWNTWOO-UHFFFAOYSA-N 292.342 2.528 0 1 CFAF Oc1ccc(C[C@@H]2NCCc3cc4c(cc32)OCO4)cc1 13397183 IZZKMFBIJVLUFA-HNNXBMFYSA-N 283.327 2.550 0 1 CFAF CCc1cc2c(cc1Cl)[C@](O)(CC(=O)O)C[C@@H](C)O2 13456226 GFDPHROSLHMHEX-XLKFXECMSA-N 284.739 2.736 0 1 CFAF Nc1nc2n(n1)C1(CCCCC1)[C@H]1CCCCC1=N2 169686973 MMFXTANLFDSSKH-JTQLQIEISA-N 259.357 2.796 0 1 CFAF COc1cc(C(=O)O)c(C=O)c2c1CC1(CCCCC1)O2 6479 CCYKAAOPVIWXKJ-UHFFFAOYSA-N 290.315 2.844 0 1 CFAF CC(C)(CO)CCCCOCCCC(C)(C)CO 28457241 WQRXBUWMZLKKIM-UHFFFAOYSA-N 260.418 2.991 0 1 CFAF CCSc1c(S)cnn(-c2ccccc2)c1=O 214877 YZPQICXIDREQHD-UHFFFAOYSA-N 264.375 2.633 0 3 CFAF O=C(Nc1cccc(Cl)c1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1C(=O)O 3155546 COXGMHOTCMIWCZ-FIDNZITISA-N 291.734 2.801 0 1 CFAF O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)NCCC3 3814385 RHLOPYZKJSKOCJ-UHFFFAOYSA-N 268.238 2.905 0 1 CFAF COc1cc([C@@H](C)n2nnc3ccccc32)ccc1O 4983338 PFEFMWMEXLGJSQ-SNVBAGLBSA-N 269.304 2.755 0 3 CFAF CCCSc1nc(=O)c(CC)c(O)n1[C@@H](C)CC 100560262 ROXLNYPXVLHABC-VIFPVBQESA-N 270.398 2.984 0 3 CFAF C[C@H]1[C@@H]2Cc3ccc(C(N)=O)cc3[C@]1(C)CCN2CC1CC1 100888405 FAVQVALXVLMHLE-OYYNGEPBSA-N 298.430 2.720 0 1 CFAF CSc1ccccc1N1C(=O)c2cccc(O)c2C1=O 27633393 FWSAAZSYICZMKA-UHFFFAOYSA-N 285.324 2.915 0 1 CFAF C=CC(=O)O[C@@H]1C(=O)N(SC)[C@H]1c1ccccc1Cl 28816433 OUURAKDSQQEGEC-RYUDHWBXSA-N 297.763 2.599 0 1 CFAF CCC(=O)NCCCc1cccc2nc(CC)oc12 27211604 FIVRROVPWAEVLA-UHFFFAOYSA-N 260.337 2.849 0 1 CFAF N=c1oc2ccccc2cc1C(=O)Nc1ccccc1O 26494104 NKSMNXTWDBXCGC-UHFFFAOYSA-N 280.283 2.870 0 1 CFAF CC=Cc1cc(=O)c2c(CC(C)=O)cc(OC)cc2o1 2356535424 YVHKXMFRCMVFLY-UHFFFAOYSA-N 272.300 2.966 0 1 CFAF O=c1cc(-c2ccoc2)[nH]c2cc3c(cc12)OCO3 73140231 MMWPPYYDNHVWQJ-UHFFFAOYSA-N 255.229 2.517 0 1 CFAF CCOC(=O)[C@@H]1CCC(c2ccc3c(c2)CCC3)=NO1 40828159 AEPCEKHAJBKZQH-HNNXBMFYSA-N 273.332 2.622 0 1 CFAF CCOC(=O)[C@@H]1[C@@H]2C=C[C@H](CC2)N1c1ccccc1 195463891 NLRFKXAWPLOXQO-YUELXQCFSA-N 257.333 2.773 0 1 CFAF CC(=O)O[C@@H](C/C=C(\C)CO)/C(C)=C/CC/C(C)=C/CO 238731598 FKZKSYSFWQITBQ-HGKFMFHTSA-N 296.407 2.912 0 1 CFAF COc1cc2[nH]c(-c3oc4c(c3C)[C@@H](O)CCC4)nc2cn1 586903299 IMVDSZYEMHNXKQ-NSHDSACASA-N 299.330 2.905 0 1 CFAF Cc1cc(F)c2[nH]c([C@@H](O)c3cccc(O)c3)nc2c1 586890503 KHTLPQLTQGDNHW-AWEZNQCLSA-N 272.279 2.798 0 1 CFAF COc1cccc([C@@H](C)Cc2nc3cc[nH]c(=N)c3[nH]2)c1 587929998 FCMJJZYLQNCITE-JTQLQIEISA-N 282.347 2.725 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)CCCCCCCC3 587561412 HHDOCZYBLZCKNQ-UHFFFAOYSA-N 273.336 2.875 0 1 CFAF O=C1O/C(=C/c2nc3ccc(CO)cc3[nH]2)c2ccccc21 586907125 SKBNXMILRPESSZ-OVCLIPMQSA-N 292.294 2.724 0 1 CFAF Cc1ccc2c(ccc3nc([C@@H](N)[C@@H](C)F)[nH]c32)n1 587122171 BUDQVLKOTRXDLL-PELKAZGASA-N 258.300 2.777 0 1 CFAF Nc1cccc(C(=O)O)c1-c1nc2ccc(F)cc2[nH]1 587248158 GLRXLEVTBDAREG-UHFFFAOYSA-N 271.251 2.649 0 1 CFAF Cc1ccnc2c1CCN[C@@]21CCCC[C@H]1c1cncnc1 963073572 VOSKDORYUWVKRA-FUHWJXTLSA-N 294.402 2.879 0 1 CFAF CC(C)(O)c1cc2c(-c3ccccc3CO)nccc2[nH]1 1772602565 MHANEUQXHDPPEO-UHFFFAOYSA-N 282.343 2.950 0 1 CFAF COC(=O)c1cc(O)c([C@@H](C)CC(=O)CC(C)C)cc1O 13337232 SVYGEXBYZBSPNY-JTQLQIEISA-N 294.347 2.993 0 1 CFAF COC[C@]12Cc3ccc(O)cc3[C@](C)(CCCN1C)C2 13755916 QNQAGYMQGHYWCJ-IAGOWNOFSA-N 275.392 2.707 0 1 CFAF COc1c(O)ccc2c(=O)c(O)c(-c3ccccc3)oc12 14807578 GFZSBWIGTNTNKS-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF COc1cc(/C=C/C(=O)Nc2ccccc2O)ccc1O 1857563315 MXYIHKIHVBBABI-VQHVLOKHSA-N 285.299 2.758 0 1 CFAF O=c1[nH]c(/C=C/c2ccccc2)nc2ccc(O)cc12 29416154 MXMNJNCZLUFBCL-RMKNXTFCSA-N 264.284 2.799 0 1 CFAF Nc1ccc2nc(/C=C/c3ccccc3)[nH]c(=O)c2c1 29411420 WXPIEJSTTIOMRH-RMKNXTFCSA-N 263.300 2.676 0 1 CFAF C[C@]12Cc3ccccc3[C@@H](O)[C@@H](CN1)c1ccccc12 100649399 ZGIBCONJMIEMPL-CGTJXYLNSA-N 265.356 2.878 0 1 CFAF Cc1ccc(Nc2c(Nc3ccccc3)c(=O)c2=O)c(O)c1 101113444 CGFCJFIIBAQJSX-UHFFFAOYSA-N 294.310 2.784 0 1 CFAF Cn1c2c(c3ccccc31)CC(=O)Nc1ccncc1-2 29053516 HCJQIBXTZXVZLX-UHFFFAOYSA-N 263.300 2.735 0 1 CFAF COC(=O)[C@H](c1cccc(Cl)c1)[C@H]1CCCCN1 28227600 QFEWAERCGCLJNU-CHWSQXEVSA-N 267.756 2.739 0 1 CFAF c1ccc(-c2ncc(-c3cnc([C@H]4CCNC4)[nH]3)cn2)cc1 118620218 YRDILXMZJGUJKP-ZDUSSCGKSA-N 291.358 2.611 0 1 CFAF COC(=O)[C@@H]1CC[C@@H]2C(=O)C(C)(C)[C@H]3CC[C@]21C3 2356442514 FKDLMNVLAYZRNQ-DDIVZENXSA-N 250.338 2.581 0 1 CFAF COc1cc(C=Cc2ccc3c(c2)OCO3)oc(=O)c1 2356559323 GLWFCJOUIQRVSV-UHFFFAOYSA-N 272.256 2.548 0 1 CFAF N[C@H](C(=O)NCc1ccccc1)c1nccc2ccccc12 84671515 WVUCEWJMOCRUMH-INIZCTEOSA-N 291.354 2.551 0 1 CFAF CNc1ccc(-c2cc3cc(C(N)=O)ccc3o2)c(F)n1 84668833 MIRQBIKPLBJMQP-UHFFFAOYSA-N 285.278 2.775 0 1 CFAF CCCC[C@@H](c1ccccc1)S(=O)(=O)N1CCOCC1 230514390 JAVAFBWXWRHODV-HNNXBMFYSA-N 297.420 2.580 0 3 CFAF COc1ccc(C2=NO[C@H](Cc3ccccc3)O2)cc1 95585501 ICRXNHZHMHYBPV-OAHLLOKOSA-N 269.300 2.972 0 1 CFAF O=C1OC[C@@H]2[C@@H]1[C@@H]1c3ccccc3[C@@H](O)c3ccccc3[C@H]21 254076692 KAFDISJYHBMFEQ-TZNCUMHOSA-N 292.334 2.752 0 1 CFAF CN(C)C(=O)Oc1cc(CCC2CCCC2)on1 299867617 QKACHEHIHMHJBO-UHFFFAOYSA-N 252.314 2.858 0 1 CFAF Nc1ncnc2[nH]c(-c3ncsc3-c3ccccc3)nc12 587028126 OLUBUJYOPOXMRW-UHFFFAOYSA-N 294.343 2.726 0 1 CFAF Oc1nncc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586889654 MJLPQVGSKFEDPC-WSHGPQCASA-N 270.336 2.526 0 1 CFAF CC(=O)Nc1cccc(Cc2nc3cccnc3[nH]2)c1 587242427 LJINFOJFSWIYHY-UHFFFAOYSA-N 266.304 2.507 0 1 CFAF Nc1ccc(/C=C\c2nc3cnc(Cl)[nH]c-3n2)cc1 587252072 VCDAERLYWPIJJK-UTCJRWHESA-N 271.711 2.711 0 1 CFAF c1ccc2c(c1)CC[C@]21C[C@@H]1c1nc2ncc[nH]c-2n1 586892905 XXUUNKKLCQIARR-WBMJQRKESA-N 262.316 2.676 0 1 CFAF CN1c2ccccc2C(n2cncn2)c2ccccc21 1772577558 HAFYMZVHLNXUIY-UHFFFAOYSA-N 262.316 2.997 0 1 CFAF CN1CCC[C@H]1COc1cc(O)cc(Br)c1 1772608654 QTXUGSOGZYIQNZ-JTQLQIEISA-N 286.169 2.628 0 1 CFAF COc1cccc(C(=O)c2c(O)cc(OC)cc2OC)c1 14725513 WNWLKKXCLKNLHG-UHFFFAOYSA-N 288.299 2.649 0 1 CFAF CN1C(=O)NC(=O)[C@@H]1c1cc(Cl)c(Cl)cc1Cl 169317125 PETPAOIRQNKHBG-QMMMGPOBSA-N 293.537 2.870 0 1 CFAF CO[C@H]1[C@H]2CC[C@@H]1CN(c1nc(C)nc3sccc13)C2 1857594766 CWFQYMFRVFQRGH-PTEHBNRSSA-N 289.404 2.861 0 1 CFAF Nc1cccc(-c2[nH]c3cccc4c3c2CCNC4=O)c1 13491951 ZPIJDIIBTAAOBV-UHFFFAOYSA-N 277.327 2.703 0 1 CFAF O[C@]1(c2ccccc2)c2ccccc2C2=NCCCCN21 13760575 GJJALNSUHRUMFW-GOSISDBHSA-N 278.355 2.736 0 1 CFAF CC1=C2C(=O)O[C@H](c3ccoc3)[C@@]2(C)CC[C@@H]1CO 2356365326 JXFVXBAQROLVFV-YVLXSGLVSA-N 262.305 2.603 0 1 CFAF CCc1cccc(NC(=O)c2nc(-c3ccncc3)no2)c1 6841761 SOJRPKAVSCJVSL-UHFFFAOYSA-N 294.314 2.946 0 1 CFAF Nc1cccc(-c2cncc([C@@H]3C[C@H]4CC[C@@H]3N4)c2)c1 29123170 WTYKEOIVVOXLGZ-IKGGRYGDSA-N 265.360 2.939 0 1 CFAF CC1(C)[C@@H]2c3ccccc3[C@@H](c3cccc[n+]32)C12OCCO2 27520535 BVGZKTHMZYKPPK-IRXDYDNUSA-N 294.374 2.792 0 1 CFAF COc1ccc2oc(=O)cc(COC(=O)C=C(C)C)c2c1 26386768 WCADAMKVFHKMCH-UHFFFAOYSA-N 288.299 2.811 0 1 CFAF CC(C)CC(=O)C[C@](C)(O)[C@@H]1CC=C(C(=O)O)CC1 2356718464 XEODLVZRFHRTCH-DOMZBBRYSA-N 268.353 2.554 0 1 CFAF C[C@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CCF 28101703 RTUGCWJKYIZMNR-UVBJJODRSA-N 263.356 2.886 0 1 CFAF COc1ccc(CC(Cc2ccc(OC)cc2)NC=O)cc1 66079555 LHHCFDVVDNXFMJ-UHFFFAOYSA-N 299.370 2.604 0 1 CFAF COC[C@]12Cc3ccc(O)cc3[C@](C)(CC[C@H]1N(C)C)C2 34529595 LMPYGANIBIHENG-KZNAEPCWSA-N 289.419 2.953 0 1 CFAF CO[C@@H]1O[C@H]2CCC3=C[C@@H](O)C[C@H](C)[C@@]3(C)[C@H]2[C@@H]1C 38340441 RVIFTQUMZYSBBG-XBNBVDRNSA-N 266.381 2.737 0 1 CFAF CN1C(=O)[C@H](c2ccccc2)C[C@H](c2ccccc2)C1=O 73198575 CVSJWIWWDODUBV-IYBDPMFKSA-N 279.339 2.943 0 1 CFAF Cc1cc(C)c2c(n1)N[C@@H](c1cccs1)NC2=O 40424893 KYAFCFALRONWBB-LLVKDONJSA-N 259.334 2.614 0 1 CFAF CCOC1CC([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1 587441634 HZTAZQVQBBJZDO-SKMOYPEFSA-N 288.343 2.626 0 1 CFAF CCC[C@@H]1CCCc2cc3c(O)nc(O)nc3nc21 587562027 NTEGMZSCRHNKHW-MRVPVSSYSA-N 259.309 2.656 0 1 CFAF c1ccn2c3c(nc2c1)CCN[C@@]31CCCc2scnc21 962983282 KVLKQBOQYFKZBV-MRXNPFEDSA-N 296.399 2.516 0 1 CFAF O=Cc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccccc1)O2 1772643641 QPSNNRDTFGWIGI-CYBMUJFWSA-N 284.267 2.617 0 1 CFAF CNC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2 5132595 QVPAYAANKSGITH-UHFFFAOYSA-N 284.340 2.763 0 1 CFAF Cc1ccc(NC(=O)Cn2cc3c(n2)CC[C@H](C)C3)cc1 5148533 VCHDUYFLGAJBFC-ZDUSSCGKSA-N 283.375 2.955 0 3 CFAF COc1cc2ccc(=O)oc2c2c1OC(C)(C)CC2 13379110 BZMZEWWDSNLUOM-UHFFFAOYSA-N 260.289 2.905 0 1 CFAF NC[C@H]1C[C@@H]2c3ccccc3Cc3ccccc3N2O1 13436908 YRZFLXOYFQEHFH-RHSMWYFYSA-N 266.344 2.801 0 1 CFAF NCCC[C@H](Cc1cn(C2CCCCCC2)cn1)C(=O)O 169698759 MHKMIQNCAHVRCX-CYBMUJFWSA-N 293.411 2.761 0 1 CFAF NC(=O)Nc1cc(-c2ccnn2-c2ccc(F)cc2)ccn1 167508922 SKAABIOAKTZTRK-UHFFFAOYSA-N 297.293 2.564 0 1 CFAF O=C1c2ccc(Cl)cc2CCN1c1cccnc1 220084890 FBEWBUQUJHVHSR-UHFFFAOYSA-N 258.708 2.938 0 1 CFAF OCCNc1nc(Nc2ccc(F)cc2)nc2ccccc12 2701540 FPRDDAFBRAJVTG-UHFFFAOYSA-N 298.321 2.917 0 1 CFAF COc1cccc2c3c(c(=O)n(C)c12)C[C@@H](C(C)C)O3 2356378384 IRKZSFRLWDBXNF-ZDUSSCGKSA-N 273.332 2.507 0 1 CFAF CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1[C@@H]1CCCN1 27562098 XGMLBPJJPPLOLJ-XYJFISCASA-N 286.419 2.565 0 1 CFAF CNC(=O)c1cccc2oc(-c3ccccc3O)nc12 29132134 FUPZHCZNKQQGBB-UHFFFAOYSA-N 268.272 2.560 0 1 CFAF CC(C)(C)CN1CCC[C@]12Cc1ccccc1CNC2=O 71994018 ZPSPJTQBAZWHAC-GOSISDBHSA-N 286.419 2.740 0 1 CFAF CC(=O)Nc1ccc2[nH]cc(C3=CCCN(C)C3)c2c1 26751821 CXTACPPURJQEFA-UHFFFAOYSA-N 269.348 2.845 0 1 CFAF CC(C)C[C@H](N)[P@](=O)(O)[C@H](O)CCc1ccccc1 36332066 OPWYDOUDKJTIEP-KGLIPLIRSA-N 285.324 2.539 0 1 CFAF O=C(Nc1ccc(O)cc1)c1coc2ccccc2c1=O 72107228 BCZWYCOIPMQUNI-UHFFFAOYSA-N 281.267 2.751 0 1 CFAF Cc1c(CC(=O)O)c2ccccc2n1C1CCN(C)CC1 45260486 VESSEMGLNICTJG-UHFFFAOYSA-N 286.375 2.844 0 1 CFAF Cc1nc(N)nc(N)c1CCCOc1ccccc1Cl 45188228 FQFHZXHNVSTVIH-UHFFFAOYSA-N 292.770 2.614 0 1 CFAF CC(C)[C@@H](C)Nc1ccc(F)c([C@]2(C)COCC(N)=N2)c1 143038847 VEBDOPAMPGWBDV-BZNIZROVSA-N 293.386 2.885 0 1 CFAF CC(=O)Nc1ccc(CCc2ccc(NC(=N)N)cc2)cc1 95581710 JWGZFWUZFGXWPL-UHFFFAOYSA-N 296.374 2.736 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1c(N)cccc1F)[C@@H](C2)C3=O 587424024 NDWPBYHWYIFVIH-BTDLBPIBSA-N 299.301 2.905 0 1 CFAF Oc1nc(O)c2ccc(-c3nc4ccccc4s3)nc2n1 587564879 YIIVCGHECWSJEL-UHFFFAOYSA-N 296.311 2.713 0 1 CFAF N=c1[nH]cc2nc(-c3ccc4cc(Cl)ncc4c3)nc-2[nH]1 587085661 ZRSXGUYNOWCGPC-UHFFFAOYSA-N 296.721 2.586 0 1 CFAF CCCc1sc(=N)[nH]c1-c1nc2cccc(O)c2[nH]1 587013857 ZPOZVIHBPFTSHC-UHFFFAOYSA-N 274.349 2.757 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(N(C)C)n1)O2 587386039 GPDSVLJDFXKPFW-OAHLLOKOSA-N 297.358 2.745 0 1 CFAF COc1cccc(Cc2nc3ccc(CCO)cc3[nH]2)c1 587932394 XELZAVRRWONJKI-UHFFFAOYSA-N 282.343 2.697 0 1 CFAF Cc1cc(C)n(C(=O)c2coc(-c3ccc(O)cc3)n2)n1 1772652459 QVBOFGSGJXAEFE-UHFFFAOYSA-N 283.287 2.549 0 1 CFAF O=C1C(Cl)=CCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1 1772651139 UTOYUGQIPNRCGJ-VXGBXAGGSA-N 275.735 2.672 0 1 CFAF Fc1ccc(Nc2n[nH]c3nccnc23)cc1Cl 166961709 BRWBJAJFMCUUKI-UHFFFAOYSA-N 263.663 2.889 0 1 CFAF CC(=O)[C@@H](C)[C@H](O)[C@@H](C)c1ccc(C)cc1/C=C/CO 31161582 FTTQBBNJVTYJPS-IVZWMNDCSA-N 276.376 2.690 0 1 CFAF O[C@H]1C[C@H]2CCCN3CCc4c(n1c1ccccc41)[C@@H]23 1846122 KOIGYXJOGRVNIS-XFBWCDHKSA-N 268.360 2.845 0 1 CFAF in-man CCCCCCC1=NOC[C@@]1(C)C(=O)NCCCOC 4214586 QIMJBKBBJNDWLW-OAHLLOKOSA-N 284.400 2.502 0 1 CFAF CCCN1Cc2cccc3[nH]c(=O)n(c23)[C@@H](C(C)C)C1 6380285 DDHADWPWKRLLAW-CQSZACIVSA-N 273.380 2.752 0 1 CFAF COC(=O)c1ccc2c(c1)C[C@@]1(C2)Cc2ccccc2C1=O 6385214 RJBGYEUVIFZJGS-LJQANCHMSA-N 292.334 2.997 0 1 CFAF CC(=O)N1c2cc(C)c(C)cc2N(C)C(=O)c2cccnc21 6522177 JHECFKBIUJRHFY-UHFFFAOYSA-N 295.342 2.973 0 1 CFAF CC(=O)O[C@@H]1C[C@H]2C[C@@H](C3CCCCC3)O[C@H]2O1 103293545 VURDWAJYJLFVEF-RFGFWPKPSA-N 254.326 2.607 0 1 CFAF CC(=O)NC/C=C1/CCc2ccc3nc(C)oc3c21 118584219 AGFPOHCQQFJZBW-GHXNOFRVSA-N 256.305 2.602 0 1 CFAF COc1cccc(N(C)c2nc(C)nc3c2C[C@@H](C)N3)c1 64448712 OHQVJWITMPPVNB-SNVBAGLBSA-N 284.363 2.918 0 1 CFAF CC(C)Cn1cnc2c(N)nc3c(O)cccc3c21 28476233 OZJOZPKCCUQYBR-UHFFFAOYSA-N 256.309 2.528 0 1 CFAF CC1=NN(c2ccccc2)C(=O)[C@@H]1c1ccccn1 28711775 NZHHZQIHWDNCQI-AWEZNQCLSA-N 251.289 2.588 0 1 CFAF CC(=O)N1C[C@@H](c2ccc(O)cc2)Cc2ccc(O)cc21 28865967 MMAQLJQOBLDUJY-AWEZNQCLSA-N 283.327 2.791 0 1 CFAF N[C@H]1CN(c2cnc3ccccc3n2)C[C@@H]1c1ccccc1 28823825 RCADPDWGALCVLN-CABCVRRESA-N 290.370 2.561 0 1 CFAF CN1[C@H]2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2C(=O)O 38816321 WBQWEXIOQUVCHG-MQYQWHSLSA-N 279.767 2.991 0 1 CFAF CCOC(=O)C(=O)CC(=O)c1c[nH]c2ccc(Cl)cc12 137567155 ICGYVAPMMWDZQS-UHFFFAOYSA-N 293.706 2.526 0 1 CFAF COc1ccc(/C=C2/C(=O)Nc3ccccc32)c(O)c1 40835147 NMJZKVHHPSTXPH-MDWZMJQESA-N 267.284 2.894 0 1 CFAF OCC1(Nc2ncnc3[nH]c4ccc(O)cc4c23)CCCC1 221385441 SABYVORKCKUTGI-UHFFFAOYSA-N 298.346 2.534 0 1 CFAF COc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1 40407377 LIFCGRIUBCJQDT-UHFFFAOYSA-N 292.342 2.613 0 1 CFAF CC[C@]12C=CCN3CC[C@@]4(c5ccccc5N[C@H]4C(=O)C1)[C@@H]32 238788345 VWEIHRBYFKZAQD-VJANTYMQSA-N 294.398 2.732 0 1 CFAF N[C@H]1CC[C@H](Nc2nc3ccccc3n3ccnc23)CC1 299845222 SLRYZMCLDXWSON-HAQNSBGRSA-N 281.363 2.564 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1c(C)n[nH]c1C)[C@@H](C2)C3=O 587441346 SKHCSLQZBIWUAG-ZBEGNZNMSA-N 284.315 2.524 0 1 CFAF c1coc(-c2nc(Cc3nc4ncc[nH]c-4n3)cs2)c1 587018269 XPSZVDUTCFHQSG-UHFFFAOYSA-N 283.316 2.612 0 1 CFAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc3cn[nH]c3cc2[nH]1 587961216 DMUXZPUATMHGHW-DTWKUNHWSA-N 268.320 2.597 0 1 CFAF Cc1c(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cnn1C 587875138 GHEJUMIRHBBDPT-UHFFFAOYSA-N 298.277 2.525 0 1 CFAF N[C@H](c1ccsc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587025202 FMOXIOTZSYMRJA-CQSZACIVSA-N 298.371 2.557 0 1 CFAF COC(=O)[C@@H]1C=Cc2nc3cccc4c3c(c21)CC4 587213138 GCXYBYXUGNYOPU-LLVKDONJSA-N 251.285 2.617 0 1 CFAF Cc1ccc(/C=C/c2nc3cnnc(O)c3[nH]2)cc1F 587146740 UUWKUOJBXUGUKS-SNAWJCMRSA-N 270.267 2.676 0 1 CFAF NC(=O)Nc1cccc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 587242305 PXPSLEUKEYYXJE-UHFFFAOYSA-N 292.302 2.597 0 1 CFAF COc1cc(OC)c2[nH]c([C@@H](O)CC(C)C)nc2c1 586902032 WFMOAMFIRCDOBD-NSHDSACASA-N 264.325 2.660 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccnc(C)c1)[C@@H](C2)C3=O 587437295 ZFTNGDGPNUUJPZ-GUYCJALGSA-N 281.311 2.887 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1oc(C)nc1C)[C@@H](C2)C3=O 587436327 NWLLOHMEDSRMSA-SJCJKPOMSA-N 299.326 2.963 0 1 CFAF CCN1C(=O)c2cccnc2Oc2cc(C)cc(N)c21 5841312 IKITZJALQKJYEJ-UHFFFAOYSA-N 269.304 2.745 0 1 CFAF CC[C@H](C)c1cccc(OC[C@@H](O)CNC(C)C)c1 5925517 PPYOOTZYZMMBNR-ZFWWWQNUSA-N 265.397 2.938 0 1 CFAF O=c1cc(C[C@@H](O)c2ccccc2)oc2ccc(O)cc12 14455457 SDASTLHZVRJVGO-OAHLLOKOSA-N 282.295 2.775 0 1 CFAF biogenic,in-vitro CCCc1c[nH]c2ccc(CS(=O)(=O)O)cc12 209737859 WYFJNQLEVJHNQH-UHFFFAOYSA-N 253.323 2.508 0 1 CFAF CCCCNC[C@@H](O)COc1cccc2ccccc12 3642032 AITWWMQZEHPPKO-OAHLLOKOSA-N 273.376 2.969 0 1 CFAF CC(C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H](C(=O)O)[C@@H](O3)[C@H]12 2356332209 AXMBGSMQXLXOCB-GGZSWOCBSA-N 252.354 2.937 0 1 CFAF CCCn1c(C)nc2cc3c(cc21)[C@H]1CNC[C@H]3C1 101032606 SPWVDDOSSYRJLM-VXGBXAGGSA-N 255.365 2.929 0 1 CFAF Cc1cccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)c1 28116428 NTNJMGZPAOLEAE-UHFFFAOYSA-N 291.314 2.942 0 1 CFAF COc1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2N(C)C)c1 27624022 NBUGICWZAWRVES-CVEARBPZSA-N 290.407 2.640 0 1 CFAF CN1[C@@H](c2ccccc2)[C@H](N)C(=O)C[C@@H]1c1ccccc1 23477729 HPNXAOJGCPUSLE-NXHRZFHOSA-N 280.371 2.701 0 1 CFAF C[C@@H]1C[C@@H]2CC(=O)[C@H]3CCCN4CCCC[C@]32[C@]4(O)C1 2356704215 LIAOMFRUDNEIRY-XPLWTBFPSA-N 277.408 2.576 0 1 CFAF Cc1ccc(C(=O)CNC(=O)/C=C/c2ccccc2O)cc1 73139925 WCGCBNOGMADYFW-ZHACJKMWSA-N 295.338 2.713 0 1 CFAF COC[C@@H](C)NCc1coc(-c2cccc(C)c2)n1 72185379 ZCOJCDFZYQLROC-GFCCVEGCSA-N 260.337 2.775 0 1 CFAF CC1=C[C@@H](CC2=CC(=O)O[C@@H]2O)[C@@H](C(C)C)CC1 40918669 XSUQCIIWOCZPHC-LNSITVRQSA-N 250.338 2.807 0 1 CFAF CSc1cc2nc(C(=O)O)cn2c2ccccc12 40631973 ZRPGXSYFLZUJKK-UHFFFAOYSA-N 258.302 2.908 0 1 CFAF COc1ncccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224749919 AYSLEYYMRPMTJC-UHFFFAOYSA-N 296.305 2.936 0 1 CFAF CCCCCOc1ccc(CN2CC(C(=O)O)C2)cc1 145927254 JDARYYAVDHAOJY-UHFFFAOYSA-N 277.364 2.772 0 1 CFAF CCCC(=O)OC/C=C/c1ccc(OC(C)=O)c(OC)c1 473105919 UHANZZHYVNKKSW-FNORWQNLSA-N 292.331 2.977 0 1 CFAF N[C@@H]1CCc2cccc(-c3ccc(F)cc3)c2CC1=O 473082246 GPWBUIZJLINJBY-MRXNPFEDSA-N 269.319 2.878 0 1 CFAF N=c1sccn1C[C@H](O)c1cc2ccccc2o1 653746425 RBKCVSKQANFBMN-JTQLQIEISA-N 260.318 2.509 0 1 CFAF C[C@H](Cc1nc2ccc3ncccc3c2[nH]1)N(C)C 587192024 QHNJVARNUCJITN-SNVBAGLBSA-N 254.337 2.604 0 1 CFAF CCOC(=O)c1c(C(F)F)[nH]c2c(C(=O)O)cccc12 587637579 LDNZUONHYUBUDL-UHFFFAOYSA-N 283.230 2.980 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccccc1O)[C@@H](C2)C3=O 587450540 MLWDQENEURIEPP-YVEFUNNKSA-N 282.295 2.890 0 1 CFAF COc1cc2nc(COc3ccc(C)cc3)[nH]c2cn1 587565824 USEABKNIKARTOT-UHFFFAOYSA-N 269.304 2.854 0 1 CFAF OCCc1ccc2nc(-c3ccc(Cl)nc3F)[nH]c2c1 587177725 WJAXBADSIVFRST-UHFFFAOYSA-N 291.713 2.952 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccn(C)c1)O2 587392205 XEDWZBIQNRYGNN-INIZCTEOSA-N 270.332 2.796 0 1 CFAF COc1ncc(F)cc1-c1nc2c(F)cccc2[nH]1 587176555 VQEWZYMMMLWWAJ-UHFFFAOYSA-N 261.231 2.912 0 1 CFAF C=C1NC(=O)C(C)=C1c1ccc(Br)cc1 1857535918 ZCSPEFIMYVKECP-UHFFFAOYSA-N 264.122 2.866 0 1 CFAF CCCN(CCC)[C@H]1Cc2cccc3oc(=O)n(c23)C1 13452238 HOEALUALDFMXND-ZDUSSCGKSA-N 274.364 2.641 0 1 CFAF Nc1cc(N2CCc3ccccc3C2)nc2c1CCC2 13488068 NHUMNXSOVZCLNK-UHFFFAOYSA-N 265.360 2.715 0 1 CFAF Cc1ccc(-c2ccc3n(c2=O)C[C@@H]2CNC[C@H]3C2)s1 13686273 GDOJWRLPIHNADV-NWDGAFQWSA-N 286.400 2.592 0 1 CFAF Cc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O 14814958 UOSZQIQUCYTISS-UHFFFAOYSA-N 284.267 2.885 0 1 CFAF C[C@@]12CC[C@H]3C[C@]1(C(=O)Nc1cccnc1)OC[C@]32C 17350169 NQOTWEWBZJOSEX-BJKJVOPESA-N 272.348 2.615 0 1 CFAF COc1ccc(N[C@H](C)CCCN)c2cccnc12 169320049 JBSNECMAFUHYCS-LLVKDONJSA-N 259.353 2.783 0 1 CFAF O=C1NCC2=Nc3ccccc3N[C@@H](c3ccccc3)[C@@H]12 169691745 KCLKPPOQKQRKOU-HOTGVXAUSA-N 277.327 2.672 0 1 CFAF c1ccc(CN2c3ccccc3C[C@H]2C2=NCCN2)cc1 29337288 HSCMVYRTOPBJCA-KRWDZBQOSA-N 277.371 2.620 0 1 CFAF CCCCn1c(=O)c2ncn(C)c2c2cc(C)ccc21 1548067 JAELTPJMENJSEX-UHFFFAOYSA-N 269.348 2.997 0 1 CFAF O=C(N[C@@H]1CN2CCC1CC2)c1cccc2ccccc12 6000221 UANSQQFYKHHDJM-QGZVFWFLSA-N 280.371 2.664 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2ccc(C)c(F)c2)C[C@H]2CC[C@H]1N2 100949796 QDZIBQWKRRRXAL-QHSBEEBCSA-N 277.339 2.531 0 1 CFAF NC(=O)Cc1cc(Oc2ccccc2)nc2ccc(O)cc12 29393016 DFRSBNRKEGKTDF-UHFFFAOYSA-N 294.310 2.761 0 1 CFAF COc1ccccc1-c1ccc2ncn(C)c2c1CN 29124932 QOCISFMKEITFQQ-UHFFFAOYSA-N 267.332 2.708 0 1 CFAF CCCCCC[C@@]1(c2ccc(N)cc2)CCC(=O)NC1=O 28767433 VWJXCBZWAWHJLE-KRWDZBQOSA-N 288.391 2.914 0 1 CFAF in-vivo CCCC=C1OC(=O)C2=C1CC[C@@H](C(=O)CCC)[C@@H]2O 2356458741 RWIPTYNGENPFSY-BONVTDFDSA-N 278.348 2.664 0 1 CFAF C[C@H]1CN=C(N(C)C)N1CCCC1CCCCC1 36386714 UMHZAQWCXANGHQ-ZDUSSCGKSA-N 251.418 2.969 0 3 CFAF CC(=O)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]1OC(=O)C=C1C(C)C 197877757 XFPNWKDJTKUHLJ-VNLRXTSXSA-N 250.338 2.746 0 1 CFAF COc1cc2c3ccnc4c3n(c2cc1OC)C(=O)CC4 238767570 IADMIUYBUNCODN-UHFFFAOYSA-N 282.299 2.793 0 1 CFAF CN1[C@H](c2ccccc2)CC(=O)[C@@H](N)[C@H]1c1ccccc1 254076040 HPNXAOJGCPUSLE-CGTJXYLNSA-N 280.371 2.701 0 1 CFAF CCO[C@@H]1CCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587441388 GVJHTQUSXYNOLL-MRRJBJDNSA-N 288.343 2.770 0 1 CFAF N=c1[nH]ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 587151983 JIMKCRWKXCQAIG-DTWKUNHWSA-N 286.285 2.920 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccnc1N(C)C)O2 587386844 LYWNDBVVNAEANY-HNNXBMFYSA-N 297.358 2.745 0 1 CFAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ncc[nH]c-2n1 587149384 GRCPJDZJSYBIIR-ZETCQYMHSA-N 276.246 2.723 0 1 CFAF c1ccc(C[C@@H]2N[C@@H](c3nc4cnccc4[nH]3)CS2)cc1 587040505 HPTARBGKCVBNIK-HUUCEWRRSA-N 296.399 2.904 0 1 CFAF Cc1cc(Br)cc2nc(C[C@@H](C)O)[nH]c12 586892217 UIWNFAJHEGYFDB-SSDOTTSWSA-N 269.142 2.557 0 1 CFAF COc1cnccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587395112 OSYSSOACCZCXDX-AWEZNQCLSA-N 284.315 2.687 0 1 CFAF CC(C)[C@H]1C[C@@]2(CCO1)NCCc1nc3ccccn3c12 962984291 CEJKHPJMKRLVGB-RHSMWYFYSA-N 285.391 2.510 0 1 CFAF CSC[C@H](C)N1CCC(CCC(=O)NC2CC2)CC1 11999296 DSZYJQTZELOLAL-LBPRGKRZSA-N 284.469 2.509 0 3 CFAF Oc1ccc2c(c1)CC[C@H]1Oc3cc(O)ccc3N=C21 12353750 YVCCFKDKQAZFTM-CQSZACIVSA-N 267.284 2.926 0 1 CFAF O=c1[nH]c2nc3ccnc(-c4ccc(O)cc4)c3cc2s1 13741978 CWMKZBGRCSLOQT-UHFFFAOYSA-N 295.323 2.905 0 1 CFAF CN1C=Cc2ccccc2[C@@H](c2ccccc2)[C@H](O)C1=O 18038211 VRSSZILNAITUII-SJORKVTESA-N 279.339 2.622 0 1 CFAF endogenous,in-man CCNC(=O)c1ccc(-n2cnc3cc(F)ccc32)s1 169701609 LIXUVDGTQHJITH-UHFFFAOYSA-N 289.335 2.976 0 1 CFAF CC1(C)CC=CCC[C@@H](O)[C@@H](O)CCC(C)(C)C1=O 254136818 BEWPNOHISJLCQR-OLZOCXBDSA-N 268.397 2.850 0 1 CFAF O=[S@@]1c2ccccc2SN1c1ccc2c(c1)OCO2 6583364 CHLNGHNJFWAWRU-IBGZPJMESA-N 291.353 2.965 0 1 CFAF O=C1N=C2SCCN2C1(c1ccccc1)c1ccccc1 1559474 LWGYIMDRVXONEN-UHFFFAOYSA-N 294.379 2.875 0 1 CFAF CC[C@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(C)nc3n2)C1 3955078 LAZNUJPQOBCGAF-JQWIXIFHSA-N 286.379 2.641 0 1 CFAF CC(=O)CC[C@@H]1OC(=O)[C@@H]2[C@H](C(C)C)CC[C@]12C 2356385170 UKWYLUIBBUASGL-PWNZVWSESA-N 252.354 2.970 0 1 CFAF O=C(O)[C@H]1CCCN(c2ccnc3c(F)cc(F)cc23)C1 101033615 SMQDAAJROOZQEQ-VIFPVBQESA-N 292.285 2.814 0 1 CFAF Cc1sc(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)c(C(N)=O)c1C 102825295 RXXNNFSZEKZEES-MXWKQRLJSA-N 292.404 2.839 0 1 CFAF O=C(O)C(=O)CC(=O)c1csc(Cc2ccccc2)c1 27551660 UNYJQUQOXZDVQY-UHFFFAOYSA-N 288.324 2.565 0 1 CFAF Cc1ccc(C(=O)c2ccc3n2CC[C@H]3C(=O)O)cc1 25992051 UWNKAFVMCAEKRB-GFCCVEGCSA-N 269.300 2.599 0 1 CFAF CO[C@H]1O[C@H](C)Cc2ccc3c(c21)O[C@H](C(C)C)C3=O 101965618 OOXIYCFKVAWYJC-BIZFCNDTSA-N 276.332 2.893 0 1 CFAF CN1CCc2cccc3c2[C@@H]1Oc1ccc2c(c1-3)OCO2 29231591 WDBXXFPPMZAFFK-KRWDZBQOSA-N 281.311 2.961 0 1 CFAF CCOC(=O)c1cc(Cc2ccc(C)cc2)c(=O)[nH]c1C 84689984 PGNGLXIHYLFKHP-UHFFFAOYSA-N 285.343 2.759 0 1 CFAF O=C1c2cc(O)ccc2-c2cc3c(c4ccnc1c24)OCO3 238775565 DVLMEWKYOALWKS-UHFFFAOYSA-N 291.262 2.881 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(CSC[C@H]1C)[C@@H](C2)C3=O 587452895 OEQIZXGMQSPRGF-OTDPEBBPSA-N 276.357 2.564 0 1 CFAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(O)cc3[nH]1)C2 586884487 ILFCGXKPTBCGBQ-DCAQKATOSA-N 268.316 2.907 0 1 CFAF COc1cc2nc([C@H](N)Cc3cscn3)[nH]c2cc1C 587029293 NBZPPNPADGQKEC-SNVBAGLBSA-N 288.376 2.579 0 1 CFAF O[C@H]1CC[C@@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)CC1 586899626 QQIKAFOGVRFREP-OTSSQURYSA-N 285.269 2.995 0 1 CFAF CC(C)(C)c1ccc2nc(-c3cncc(N)c3)[nH]c2n1 587254495 RHMYPRVBKMDOBY-UHFFFAOYSA-N 267.336 2.900 0 1 CFAF Cc1cnc2nc(-c3cccc(OCC(F)F)n3)[nH]c2c1 587123916 LEZQDVSXTBCECV-UHFFFAOYSA-N 290.273 2.972 0 1 CFAF Cc1ccc2c(c1)COc1cc(CC(=O)O)ccc1C2=O 169340381 SMVWLFZQJABLBK-UHFFFAOYSA-N 282.295 2.746 0 1 CFAF COc1cc([C@@H]2OC(=O)O[C@H]2C)cc(OC)c1C 199035022 UVLGADXMTPWODL-QPUJVOFHSA-N 252.266 2.609 0 1 CFAF N=C(NO)c1cccc(/C=C/c2cc(O)cc(O)c2)c1 1772652562 XDDBUBNEFQWRBP-SNAWJCMRSA-N 270.288 2.572 0 1 CFAF COc1cccc(-c2nn3c(C)cc(C)nc3c2C(=O)O)c1 4078635 WGISMRMFVNLHTL-UHFFFAOYSA-N 297.314 2.720 0 3 CFAF CCc1ccccc1N[C@H]1N=C2C=C(C)NN2S1 100475346 CSQCZZJEPOPBJM-ZDUSSCGKSA-N 260.366 2.729 0 3 CFAF C[C@H]1[C@H]2C(=O)c3ccc(N)cc3[C@@]1(C)CCN2CC1CC1 100935551 NVNLCWUDSURWQS-PBQZTSCYSA-N 284.403 2.843 0 1 CFAF COc1ccccc1NC1=NC(=O)[C@@H](C(C)C)S1 28826730 CXIBKYNNOLIPLG-LLVKDONJSA-N 264.350 2.761 0 1 CFAF c1ccc(Cn2cc(-c3c[nH]c4ncccc34)nn2)cc1 66166983 ZTBIRAQXLAIYLL-UHFFFAOYSA-N 275.315 2.870 0 1 CFAF in-vitro CC(=O)Nc1cnc(-c2ccncc2)c(-c2ccco2)n1 35000653 IYMUBQAVDWGMOK-UHFFFAOYSA-N 280.287 2.757 0 1 CFAF Cn1c2c(Cl)c(Cl)ccc2c2cc(N)[nH]c(=O)c21 73198669 AAVMCPKTMJVDBG-UHFFFAOYSA-N 282.130 2.909 0 1 CFAF COc1ccc([C@H]2SCC(=O)Nc3onc(C)c32)cc1 73220685 VLKRFDLQQNWLTH-CYBMUJFWSA-N 290.344 2.766 0 1 CFAF Oc1cc2c3c(c1)-c1cc4c(cc1CN3CC2)OCO4 40423505 ZVNQYYNBNDBWNL-UHFFFAOYSA-N 267.284 2.664 0 1 CFAF CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 84690905 OANBYDFPBWKVGI-GOSISDBHSA-N 297.398 2.907 0 1 CFAF Cc1ccc2c(c1)[C@]1(C(=O)N2)N(C)CC[C@@]12CCCCC2=O 84540946 ZROPSJKVIJAQKU-QZTJIDSGSA-N 298.386 2.607 0 1 CFAF CCCSc1sc(-c2cc[nH]n2)c2c1C(=O)NCC2 146715505 BLHSTEPXWNDJNI-UHFFFAOYSA-N 293.417 2.926 0 1 CFAF CCCCNc1ccc(C(=S)NCCN(C)C)cc1 95557084 YSEVDVFIWSMMKE-UHFFFAOYSA-N 279.453 2.725 0 1 CFAF CN1CC[C@@]23c4c5cccc4O[C@@H]2CCC[C@@H]3[C@H]1C5 253733924 HWXKCCDLLDWFIH-SMKXDYDZSA-N 255.361 2.746 0 1 CFAF CN1CCc2cc(N)c(O)cc2[C@H](c2ccccc2)C1 299832743 QZMSOIXRJNNDHS-HNNXBMFYSA-N 268.360 2.594 0 1 CFAF C=C(NC(C)=O)c1nc2cc(Br)cc(F)c2[nH]1 587202217 BBZDUKKFUYKZJG-UHFFFAOYSA-N 298.115 2.571 0 1 CFAF N=C(N)c1ccc2nc(-c3ccc(Cl)nc3F)[nH]c2c1 587177767 YYAXVUSCPVRSTD-UHFFFAOYSA-N 289.701 2.701 0 1 CFAF CCOCCOCc1nc2cnc3ccccc3c2[nH]1 587778550 MKLZXLPRQTZAGR-UHFFFAOYSA-N 271.320 2.664 0 1 CFAF Cc1nc2nc(O)nc(O)c2cc1CC1CCCCC1 587561438 QAHGVRAWQWKCOP-UHFFFAOYSA-N 273.336 2.867 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1coc(C)n1)O2 587393808 MYCYVDSCBVJLMX-HNNXBMFYSA-N 272.304 2.754 0 1 CFAF CC[C@H](Oc1ccccc1F)c1nc2c(O)ncnc2[nH]1 587155983 POFPAPFWRXMVLE-VIFPVBQESA-N 288.282 2.728 0 1 CFAF CC[C@]1(CSC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587450151 RQTHCGHUNRRQQS-IAQYHMDHSA-N 278.373 2.954 0 1 CFAF COc1nccc2nc(Cc3sc(C)nc3C)[nH]c12 587012138 OUECJWLAQSBEJP-UHFFFAOYSA-N 274.349 2.631 0 1 CFAF CCC(C)(C)[C@@H]1CCc2nc3nc(O)nc(O)c3cc2C1 587561764 KPNDSLBNVKSDFV-SNVBAGLBSA-N 287.363 2.977 0 1 CFAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(N)c(N)cc2[nH]1 587163518 LJPCFTRZLPDXQX-OAHLLOKOSA-N 299.353 2.517 0 1 CFAF COC(C)(C)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587398134 CFWJSQXAJIWJTO-OAHLLOKOSA-N 263.337 2.726 0 1 CFAF C[C@@H](Oc1ccc(F)cc1)c1nc2cncnc2[nH]1 587169485 XNFDGSIABDTYRS-MRVPVSSYSA-N 258.256 2.632 0 1 CFAF O=C1c2ccsc2NC2=C(Br)CCN12 958059100 BVHCPBUUFZMHGR-UHFFFAOYSA-N 271.139 2.584 0 1 CFAF Oc1ncc([C@@H]2NCCc3cccc(Cl)c32)s1 963390160 GDXIOHYNQMRWEJ-NSHDSACASA-N 266.753 2.737 0 1 CFAF O=c1cc(-c2cc(O)ccc2O)oc2cccc(O)c12 14807228 NAEHVPAKHDOTSP-UHFFFAOYSA-N 270.240 2.577 0 1 CFAF CCC(=O)O[C@@]1(c2ccccc2)C[C@H]2CC[C@H]1N(C)C2 169333062 DNDXDAWIBUJZSQ-FRFSOERESA-N 273.376 2.949 0 1 CFAF Nc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1 5933621 IUTPNKUONYHHJO-UHFFFAOYSA-N 283.360 2.528 0 1 CFAF O=C1Nc2cc(C(F)(F)F)ccc2[C@@]1(O)c1ccccc1 29315106 SYXABDNWLIYAGX-AWEZNQCLSA-N 293.244 2.893 0 1 CFAF CC1=C2CC[C@]3(C)CCC[C@](C)(O)[C@@H]3[C@H]2OC1=O 2356487276 VLDRHPYYCMRAEB-NEBZKDRISA-N 250.338 2.580 0 1 CFAF COCCNc1nc(-c2c(C)noc2C)nc2ccccc12 4266517 UDIXGEGBSDROHK-UHFFFAOYSA-N 298.346 2.960 0 1 CFAF CNC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2C 100728492 VVUBAWQWFHXQPO-TUVASFSCSA-N 292.810 2.652 0 1 CFAF Cc1ccc(-c2nnc(-c3snnc3C)o2)c(Cl)n1 103218691 FZCWLSKHIGUDSL-UHFFFAOYSA-N 293.739 2.920 0 1 CFAF Cc1nn(C)c(O)c1C(=N)c1cccc(Br)c1 29487665 BJZMILGELFYFRP-UHFFFAOYSA-N 294.152 2.613 0 1 CFAF COc1ccc(-c2c(O)cc3c(c2OC)OCO3)cc1 25980715 RRRYYNGBNHPNSW-UHFFFAOYSA-N 274.272 2.805 0 1 CFAF C[C@H]1CCC[C@H](O)CCCc2cc(O)cc(O)c2C(=O)O1 2356623903 NXDFAIFYSGMTLP-JQWIXIFHSA-N 294.347 2.511 0 1 CFAF CO[C@@H](C=C[C@@](C)(O)C1CCC(C)(NC=O)CC1)C(C)C 2356797918 OPPJMGISMDXIJV-ODZFXCKXSA-N 297.439 2.660 0 1 CFAF CC1=C[C@H](C[C@H](C)[C@@H]2C=C[C@@](C)(O)CC2)OC1=O 2356816562 DCLJMBAXVKHPKN-QMPIGLIWSA-N 250.338 2.602 0 1 CFAF CCOC(=O)[C@H]1Nc2c(OC)cccc2[C@H]2OCCC[C@@H]12 64503908 PVCMGXZBXILJJN-TUKIKUTGSA-N 291.347 2.520 0 1 CFAF CC1=NN[C@H](c2ccc(N)cc2)c2cc3c(cc2C1)OCO3 64539972 DVAYNHHGRRWRTJ-QGZVFWFLSA-N 295.342 2.609 0 1 CFAF Cc1ccccc1-c1nc(CNC[C@@H]2CCCO2)co1 72184061 PQMXILFMDBCKCD-AWEZNQCLSA-N 272.348 2.919 0 1 CFAF COc1ncccc1-c1nc2cccc(C)c2c(=O)o1 43010947 QZCNAHHHJOVSCQ-UHFFFAOYSA-N 268.272 2.567 0 1 CFAF CC(C)(C)C1=NN(C(N)=O)[C@@H](c2ccc3c(c2)OCO3)C1 95552533 LBDCUVFYLKEGQD-SNVBAGLBSA-N 289.335 2.643 0 1 CFAF C[C@H](F)[C@H](N)c1nc2c(Cl)c(Cl)cnc2[nH]1 587122514 DXSABZZVIGYDAX-DZSWIPIPSA-N 263.103 2.623 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@]1(C)CCCO1)O2 587410928 HLFCCOZYSCLDOT-JKSUJKDBSA-N 275.348 2.870 0 1 CFAF OCc1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1 586895765 XQHBVIXPXPZKNR-UHFFFAOYSA-N 259.696 2.771 0 1 CFAF NC(=O)c1ccc2nc(-c3ccc(F)c(F)c3)[nH]c2c1 587145950 WNQLMBSKCQZCRU-UHFFFAOYSA-N 273.242 2.607 0 1 CFAF Nc1cccc(-c2nc3cc(Cl)cnc3[nH]2)c1C(=O)O 587248811 XBSDUMHNQKKIBJ-UHFFFAOYSA-N 288.694 2.559 0 1 CFAF N=c1cc(-c2nc3cnc(Cl)[nH]c-3n2)c2ccccc2[nH]1 587254285 QRHLLMKMWXITRN-UHFFFAOYSA-N 296.721 2.586 0 1 CFAF CCOC(=O)/C(=C\N(C)C)c1cc2c3c(cccc3n1)CC2 587212089 BRMIDMHDGUJFBT-KAMYIIQDSA-N 296.370 2.799 0 1 CFAF CCOCCOCc1nc2ccc(F)c(C)c2[nH]1 587779082 UVSVTBGHJARIBP-UHFFFAOYSA-N 252.289 2.564 0 1 CFAF O=C(c1cnco1)n1nc2cc1Oc1ccc(F)cc1-2 587875459 OTZYEYUYUVVRBY-UHFFFAOYSA-N 271.207 2.471 0 1 CFAF C[C@]12Cc3cc4c(cc3-c3cccc(c31)CCN2)OCO4 169701123 GKWGIBLPKAPAGI-SFHVURJKSA-N 279.339 2.999 0 1 CFAF CC(=O)O[C@H]1C[C@@H]2[C@H]([C@H](C(C)C)CC[C@@]2(C)O)[C@@H]1C(C)=O 59778457 YNNDVHBDEXCUNO-QROFKTNTSA-N 296.407 2.576 0 1 CFAF Cn1c(=O)c(COc2ccccc2)nc2ccccc21 27656156 GWPAOMLBXVILLK-UHFFFAOYSA-N 266.300 2.513 0 1 CFAF Nc1nc(-c2ccccc2)c2c(n1)-c1ccccc1[C@@H]2O 28125224 XPSXBOGVFOWJLT-INIZCTEOSA-N 275.311 2.788 0 1 CFAF CCC=CC[C@H](O)C=CC=C[C@@H]1CC[C@H](O)[C@@H](C)N1C 2356486451 SSXVPIUBXLMMTO-NCOADZHNSA-N 279.424 2.660 0 1 CFAF CCc1nnc2c(N(CC)CC)nc3ccccc3n12 26378889 CCYLTMPHQCIOMN-UHFFFAOYSA-N 269.352 2.686 0 1 CFAF COc1ccc2cc(/C=C/C(C)(C)O)c(=O)oc2c1 34543656 COQLYWLVXRALRG-VOTSOKGWSA-N 260.289 2.586 0 1 CFAF O=c1oc2ccc(O)cc2cc1-c1ccc(O)cc1 40422029 XUTYAUVYVISBAC-UHFFFAOYSA-N 254.241 2.871 0 1 CFAF CC[C@@H](C)Nc1nc(N2C[C@@H](C)O[C@H](C)C2)ncc1C 82202921 GKZNSXCMUFMPLV-JHJVBQTASA-N 278.400 2.609 0 1 CFAF CCc1ccc2c(C3=NNC(=O)C3(C)C)ccc(OC)c2n1 84687415 HRCXBJGIEHQXCR-UHFFFAOYSA-N 297.358 2.666 0 1 CFAF CCC(CC)Nc1nc(N2C[C@@H](C)O[C@H](C)C2)ncc1C 82202940 XFGQHNZUDDXEPB-CHWSQXEVSA-N 292.427 2.999 0 1 CFAF CC(=O)C[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2C1=O 147631964 RALRFBOAOMIENT-DOMZBBRYSA-N 298.294 2.760 0 1 CFAF Fc1ccc(-n2ncc3c(-n4ccnc4)ccnc32)cc1 142210956 DRIBAWGOMJCECY-UHFFFAOYSA-N 279.278 2.745 0 1 CFAF CC(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CCC(C(=O)O)=C[C@@H]12 238746879 RDVIHOREHAICKH-RMRHIDDWSA-N 252.354 2.841 0 1 CFAF Nc1ccccc1[C@H](O)CCNC(=O)Nc1ccccc1 653850842 VJGAVHWRHPCMKJ-OAHLLOKOSA-N 285.347 2.514 0 1 CFAF C[C@H]1c2nc3nc(O)nc(O)c3cc2[C@@H]1c1ccccc1 587561384 HEHHWMGBOFPGFY-PELKAZGASA-N 279.299 2.685 0 1 CFAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cnccc2[nH]1 586907279 LFDACIUNCVNXEB-SECBINFHSA-N 267.288 2.539 0 1 CFAF O=C(c1ccsc1)n1ncc2ccc(Cl)cc2c1=O 587653769 KRELOWLVWVIKPD-UHFFFAOYSA-N 290.731 2.800 0 1 CFAF Cc1cc2nc(Cc3ccc(=N)[nH]c3)[nH]c2cc1Cl 587253308 GRHDDGBGONMZTQ-UHFFFAOYSA-N 272.739 2.923 0 1 CFAF COC1=C[C@@]2(CC1)CC(=O)c1cc(C)cc(N)c1O2 587402675 GIFJCAOCYKSCMJ-HNNXBMFYSA-N 259.305 2.605 0 1 CFAF Cc1cnc(Cl)c2[nH]c(CCOCC3CC3)nc12 587784625 SPRGNCYNKMEVME-UHFFFAOYSA-N 265.744 2.889 0 1 CFAF O=C1O/C(=C\c2nc3cnccc3[nH]2)c2ccccc21 586905750 ANLJWDYGUAXXGC-QPEQYQDCSA-N 263.256 2.626 0 1 CFAF CC(C)(C)c1cccc2nc(C3(O)CCOCC3)[nH]c12 586913125 ILBXMUFSVRHFMM-UHFFFAOYSA-N 274.364 2.858 0 1 CFAF CN(C)C(=O)C[C@@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21 963092867 AUDAVUYQHBRJSM-YOEHRIQHSA-N 290.382 2.540 0 1 CFAF Cc1ccsc1[C@H](O)c1nnc(N2CCCCC2)s1 1857583084 FPTGREYGKAONHT-JTQLQIEISA-N 295.433 2.980 0 1 CFAF COc1cccc(F)c1-c1nc2c(C3CC3)[nH]n(C)c-2n1 142606863 AQNFMHPDBVSYOH-UHFFFAOYSA-N 286.310 2.940 0 1 CFAF CCc1c(SC)nc2nc(-c3noc(C)n3)cn2c1C 13822381 ZBNDILKOZLJGDQ-UHFFFAOYSA-N 289.364 2.680 0 1 CFAF COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2cc1O 14807755 YBXVFEFEBHKROY-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF CCc1ccnc2c(NCCCCN)cc(OC)cc12 169334207 BWEUVQXQGHVIEO-UHFFFAOYSA-N 273.380 2.957 0 1 CFAF C[C@@]12CC(=O)[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC2=O 2476533 WKUQOYYYFVBROI-LTCOOKNTSA-N 284.355 2.996 0 1 CFAF CCO[C@]12C[C@@H]3CCC[C@H](C)[C@@]3(C)[C@@H](O)C1=C(C)C(=O)O2 2356443051 YVOOVMQQAQCZEN-PWVNGHJPSA-N 294.391 2.800 0 1 CFAF O=C1NCCOc2ccc(OCc3ccccc3F)cc21 103280290 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VECCGMOOUXJEBL-NVSAGUJYSA-N 281.359 2.913 0 1 CFAF COc1ncc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)s1 587414269 STJXLKCUMQAKMN-LLVKDONJSA-N 290.344 2.749 0 1 CFAF CC(=O)[C@@H]1C(=O)CCc2c1nc1cccc3c1c2CC3 587215454 OOZMBZURONVBTQ-OAHLLOKOSA-N 265.312 2.521 0 1 CFAF Fc1cnc2[nH]c(-c3cnc(Cl)s3)nc2c1 587023723 VJUJEJCYKGMPTB-UHFFFAOYSA-N 254.677 2.874 0 1 CFAF CN(C)c1ncccc1-c1nc2cc(F)c(F)cc2[nH]1 587195858 LJVYGIKNXMKBSI-UHFFFAOYSA-N 274.274 2.969 0 1 CFAF Nc1ccc2nc(O)n(CCC3CCCCC3)c(=O)c2c1 1857619643 MWJUPBMWUCBYJY-UHFFFAOYSA-N 287.363 2.655 0 1 CFAF O[C@@H]1CN(CCc2ccccc2)CCc2ccccc21 1857763073 DCLXNOJGWJJAOU-GOSISDBHSA-N 267.372 2.821 0 1 CFAF CCn1c(=O)ccc2cnc(N(C)c3ccccc3)nc21 13835403 KNLUVRMEDJQLOQ-UHFFFAOYSA-N 280.331 2.579 0 1 CFAF OCc1cccc2cc(C3=CN4CCC3CC4)oc12 26973248 OXWXUIXTFQJYIL-UHFFFAOYSA-N 255.317 2.992 0 1 CFAF Cc1cc2nc(C(F)(F)F)sc(=S)n2n1 103281114 MRXTVXVAFPFDME-UHFFFAOYSA-N 251.258 2.848 0 1 CFAF CCc1nnc2c(NC(C)C)nc3ccccc3n12 25970172 PZAYUXVLYKQPMH-UHFFFAOYSA-N 255.325 2.660 0 1 CFAF COc1nc2ccccc2n2nc(-c3ccco3)nc12 29124046 KNYKQSHMJAGPHW-UHFFFAOYSA-N 266.260 2.546 0 1 CFAF CCCCc1c(C)n(C(=O)N2CCCCC2)oc1=O 26842714 GRDSTXUSVGZGSQ-UHFFFAOYSA-N 266.341 2.546 0 1 CFAF Cc1ccc(C(=O)c2ccc3n2CCC[C@@H]3C(=O)O)cc1 25988632 LLQOUENRDHIJSB-ZDUSSCGKSA-N 283.327 2.990 0 1 CFAF NC(=O)Oc1ccccc1C(=O)OCc1ccccc1 28007689 TYQPDRVZTUVMPT-UHFFFAOYSA-N 271.272 2.501 0 1 CFAF CCN(Cc1ccccc1)c1ccc2[nH]c(=O)c(C)nc2n1 82231669 WJAPVUKXDDAYDK-UHFFFAOYSA-N 294.358 2.653 0 1 CFAF COc1cnc(-c2ccccn2)nc1NC1CCCC1 84722593 UBYMOIDLLUDNKT-UHFFFAOYSA-N 270.336 2.902 0 1 CFAF CO[C@@H]1c2ccccc2O[C@H](c2ccc(O)cc2)[C@H]1O 238753503 WEUGDDZMGUAOFB-BZUAXINKSA-N 272.300 2.574 0 1 CFAF COc1cccc(N(C)c2nc(C)nc3c2nc(C)n3C)c1 299827118 OWKUOBBAHJVTFV-UHFFFAOYSA-N 297.362 2.757 0 1 CFAF OCCc1ccc2nc(-c3ncccc3Cl)[nH]c2c1 587065782 XNBSTFSNGGRHEY-UHFFFAOYSA-N 273.723 2.813 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnccc1N(C)C)O2 587385838 FGBNCULUEPUDRZ-MRXNPFEDSA-N 297.358 2.745 0 1 CFAF CC(C)(SCc1nc2c(Cl)ccnc2[nH]1)C(=O)O 586958494 HNTYMYMHNIVMBC-UHFFFAOYSA-N 285.756 2.708 0 1 CFAF Oc1nccc2nc(CCc3ccccc3F)[nH]c12 587151342 XITMDMWNSRTTAS-UHFFFAOYSA-N 257.268 2.588 0 1 CFAF CC(=O)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587816137 URFHGVINOSASIT-QTTZVWFDSA-N 286.144 2.753 0 1 CFAF c1c[nH]c2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc-2n1 586887174 FIKRIMRZKMQIET-VEABSNGSSA-N 254.337 2.772 0 1 CFAF Cc1c(F)ccc2c1[C@]1(CCC[C@H]1CN(C)C)NCC2 962141104 BEZLZRIOXIEYQT-WMLDXEAASA-N 276.399 2.837 0 1 CFAF COc1ccc(-c2cc(=O)c3cc(C)cnc3[nH]2)cc1 5503955 WAQCUFMSLSYOIU-UHFFFAOYSA-N 266.300 2.907 0 1 CFAF COc1cccc(Cc2cc(=O)c3ccc(C)nc3[nH]2)c1 5544553 MLIRWYVKLYZVEM-UHFFFAOYSA-N 280.327 2.831 0 1 CFAF CCOC(=O)C[C@@]12CCCN[C@]1(C)CCc1ccccc12 5813465 ZOJSCGFUDNORFO-QZTJIDSGSA-N 287.403 2.966 0 1 CFAF Cc1cc(C)cc(Nc2nccc(-n3ccnc3N)n2)c1 13489760 AJDQTJYEJBYYOB-UHFFFAOYSA-N 280.335 2.605 0 1 CFAF Nc1ccc(-c2cc(=O)c3c(N)ccc(F)c3o2)cc1 13652204 YUSXORRRFXPXRS-UHFFFAOYSA-N 270.263 2.764 0 1 CFAF CC[C@@H](c1ccc(C)cc1)N1C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O 13960321 OGPMHIVGCUKUGV-QMHWVQJVSA-N 299.370 2.609 0 1 CFAF O=C1CCCN1CCc1noc(-c2ccc(Cl)cc2)n1 19300870 WTMIMMONFNLULF-UHFFFAOYSA-N 291.738 2.555 0 1 CFAF Cc1noc2ccc(N=c3[nH][nH]c4cccnc34)cc12 1857582668 FLWCYUXGFBGAIM-UHFFFAOYSA-N 265.276 2.573 0 1 CFAF O=C(Nn1c(C2CCC2)nc2ccccc2c1=O)C1CCC1 1365012 MKJMDISUAQORTK-UHFFFAOYSA-N 297.358 2.534 0 3 CFAF Cc1[nH]c2ncn3nc(S)nc3c2c1Cc1ccccc1 6520448 UAMXYSDRMYPOED-UHFFFAOYSA-N 295.371 2.794 0 1 CFAF Cc1cccc(CCNC(=O)c2cc3ccccn3n2)c1 8600042 KYPXTFKUHHADMQ-UHFFFAOYSA-N 279.343 2.615 0 3 CFAF CCCC(=O)Nc1c2c(nc3ccccc13)CC[C@H](O)C2 29242864 NFZQQJXFIWPJEU-NSHDSACASA-N 284.359 2.823 0 1 CFAF Cc1ccccc1C(=O)c1ccc2n1CC[C@@H]2C(=O)O 25994170 XZDNBSYTXJNDNK-LBPRGKRZSA-N 269.300 2.599 0 1 CFAF COC(=O)c1ccc(-c2ncc3ccc(C)nc3n2)cc1 28826505 XEWKSKQYKXUIHK-UHFFFAOYSA-N 279.299 2.787 0 1 CFAF CCc1ccc(NC(=O)CC(=O)Nc2ccccc2O)cc1 84711228 RKSDHSHSKAXCED-UHFFFAOYSA-N 298.342 2.922 0 1 CFAF S=C1N[C@H](c2ccccc2Cl)N2CCCCN12 96282412 ONQDNJZVYVBJKN-NSHDSACASA-N 267.785 2.540 0 1 CFAF O=C(O)CCCCCONC(=O)Nc1ccc(F)cc1 95597181 KNOSIFCMYLMEES-UHFFFAOYSA-N 284.287 2.524 0 1 CFAF COc1cccc2[nH]c(-c3ccc(CO)cc3)nc12 586895757 XEYNKLCASOBIDY-UHFFFAOYSA-N 254.289 2.731 0 1 CFAF CC1(C)OC(=O)C[C@H]1c1nc2ccc(F)c(F)c2[nH]1 586906883 FRMMYIKTTZGLKI-LURJTMIESA-N 266.247 2.650 0 1 CFAF CC(C)O[C@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O 587652165 MKRCBSAUFPSXLT-SECBINFHSA-N 294.738 2.504 0 1 CFAF O=C(O)[C@H]1CCc2nc3cccc4c3c(c2C1)CC4 587214508 BAUBGBDJHJPPHX-JTQLQIEISA-N 253.301 2.523 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)CCC[C@H]1C 587404211 CJJMBFLIUUVQLQ-QLJPJBMISA-N 273.332 2.670 0 1 CFAF COC(=O)[C@@H]1C[C@]2(C=C1C)NCCc1c2sc(C)c1C 963022680 KHRUITBJIZLVNN-CJNGLKHVSA-N 291.416 2.845 0 1 CFAF c1ccc(-c2noc([C@H]3CN4CCC3CC4)n2)cc1 13860850 FQLSHWHPVFKMSR-ZDUSSCGKSA-N 255.321 2.546 0 1 CFAF Nc1nccn1C[C@H](O)c1cccc(Cl)c1Cl 169351081 GJJKFZWOGWBJDN-VIFPVBQESA-N 272.135 2.506 0 1 CFAF CC(C)CNC(=O)c1cc2c(c(C(F)(F)F)c1)OCO2 206130337 LYGLNNNTUIWBBN-UHFFFAOYSA-N 289.253 2.820 0 1 CFAF O=C(Nc1ccccn1)c1cncc(Oc2cccnc2)c1 167368609 LLMXTODIRMCNBW-UHFFFAOYSA-N 292.298 2.916 0 1 CFAF CO/C=C(\Br)c1ccc2c(c1)OCO2 1613373 VKEIFEPEERUBQT-YVMONPNESA-N 257.083 2.755 0 1 CFAF c1cc(-c2cc(NC3COC3)c3ccncc3n2)ccn1 1857578187 NKZPKBDVMKOULY-UHFFFAOYSA-N 278.315 2.503 0 1 CFAF Nc1nc(OCc2ccc3ccccc3c2)c2nc[nH]c2n1 19316 DIRPBMFAYLWUBO-UHFFFAOYSA-N 291.314 2.667 0 1 CFAF C[C@]12C=CC=C3CO[C@@H](c4c(O)ccc(O)c4C1)[C@@H]32 2356406253 RINQNJVHAUPFKC-PMPSAXMXSA-N 256.301 2.844 0 1 CFAF CC(C)=C[C@@H]1[C@H](COC(=O)[C@H](O)C(C)C)C1(C)C 2356408653 LMUFVISGPNZNCI-FRRDWIJNSA-N 254.370 2.785 0 1 CFAF COC(=O)c1c(C)[nH]c2c1cc(O)c1nc(C)c(C)nc12 6520267 OSGWWWRTYXZFIY-UHFFFAOYSA-N 285.303 2.529 0 1 CFAF O=C(O)c1cccc2c1N[C@H](c1ccccc1)CO2 29311746 LKILFGIVBAMPEC-LBPRGKRZSA-N 255.273 2.930 0 1 CFAF Cc1cccc(C)c1NC(=O)[C@@](C)(O)C(F)(F)F 26382383 AGFDQPMAVDQFSS-LLVKDONJSA-N 261.243 2.555 0 1 CFAF Cc1ccc2[nH]c(-c3c(N)c4ccccc4[nH]c3=O)nc2c1 101210023 BAWMPMUMXKTITQ-UHFFFAOYSA-N 290.326 2.962 0 1 CFAF C[C@H]1C[C@H]2Nc3ccc(Br)cc3N2C(=S)N1 103201890 SJXRXYFVFQHGQV-WKEGUHRASA-N 298.209 2.674 0 1 CFAF Cc1nn(Cc2ccccc2)c2c1N=C[C@@H]1CCCN1C2=O 27434257 ANKRIMAFOIEJKQ-AWEZNQCLSA-N 294.358 2.560 0 1 CFAF CN(C)c1ncnc2c1ccn2Cc1ccccc1 27305584 VPUAGWIKLLSVSC-UHFFFAOYSA-N 252.321 2.546 0 1 CFAF O=C1NC[C@H](c2ccccc2F)N1c1ccc2[nH]cnc2c1 116194842 DTYRPRNYDRVWAY-OAHLLOKOSA-N 296.305 2.973 0 1 CFAF CO[C@H]1O[C@H]2C=C(C)[C@H]3C[C@H]2[C@@]13CC(=O)CC(C)C 2356647420 MCUOTNFFHWLCLN-OWYFMNJBSA-N 264.365 2.945 0 1 CFAF COC(=O)C1=CCC[C@H]([C@@]2(C)CC[C@@H](C(C)(C)O)O2)C1 2356780775 GLZYRKYVXBYFCI-HEHGZKQESA-N 282.380 2.595 0 1 CFAF CCNCCCNc1ncc(C)c2c1c1cnccc1n2C 29401397 JBWGRNDAEBKIOO-UHFFFAOYSA-N 297.406 2.841 0 1 CFAF CCc1ccc([C@H]2C[C@H]3CC[C@H](N3)[C@H]2C(=O)OC)cc1 36270790 VQVUZWDWIQWSQU-WCVJEAGWSA-N 273.376 2.646 0 1 CFAF COc1cccc2c1O[C@H]1CCC[C@@H]3CN(C)CC[C@@]231 38295119 JVIMGZUQAPMHLS-PVUWLOKVSA-N 273.376 2.830 0 1 CFAF COc1cc2c(cc1O)[C@H](C1CCC1)N(C(C)=O)CC2 40394732 VHQQQJXUZPWCCN-INIZCTEOSA-N 275.348 2.647 0 1 CFAF O[C@@H]1c2cnccc2C[C@H]2c3[nH]c4ccccc4c3CCN21 238784364 GYDDEXWBTPFKBJ-FUHWJXTLSA-N 291.354 2.709 0 1 CFAF N=c1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c[nH]1 587161421 NSOGWSSZUCZUGA-GHMZBOCLSA-N 268.295 2.781 0 1 CFAF C[C@H]1C[N@@]1[P@](=O)(Oc1ccccc1)[N@@]1C[C@H]1C 1857623573 JCBGYJPACKELTI-LHQCFZCYSA-N 252.254 2.582 0 1 CFAF O=Cc1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O 1772610261 NKXVDFRQVDRYOO-UHFFFAOYSA-N 282.251 2.684 0 1 CFAF Cc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@H]3C2=O)c1 13152181 RVCXNTANVXVQIL-IKARSPCKSA-N 267.328 2.697 0 1 CFAF CCCN(CCC)[C@@H]1Cc2cccc3c2N(C1)C(=O)C3 13452246 BYLFIXSYAHAHIR-OAHLLOKOSA-N 272.392 2.622 0 1 CFAF CCc1nc(SC)ncc1C(=O)NC1CCCCC1 6938410 KULPUMQSUUQIJQ-UHFFFAOYSA-N 279.409 2.823 0 1 CFAF COc1ccc(-n2c(O)c3ncnc-3c3cccnc32)cc1 101501920 ZSEYCXNTPGJBDV-UHFFFAOYSA-N 292.298 2.635 0 1 CFAF CC1=CC2=N[C@H](Nc3ccc(C)cc3C)SN2N1 100475339 ZZIGQTDZJDUMCS-ZDUSSCGKSA-N 260.366 2.783 0 3 CFAF CCNC(=S)N1N=C(c2ccco2)C[C@H]1c1ccco1 28707059 JKAQLSFYOAXBDX-NSHDSACASA-N 289.360 2.918 0 1 CFAF CN(C)CCCNc1cccc(-c2cnc3ccccn23)n1 29044446 RJGRDAIHEGAGQD-UHFFFAOYSA-N 295.390 2.760 0 1 CFAF CC(=O)CC[C@H](C=C[C@@]1(C)C[C@H](O)CO1)C(C)C 2356479886 HNZVGCPOGGNFAH-ILXRZTDVSA-N 254.370 2.724 0 1 CFAF Oc1ccc([C@@H]2NC=N[C@@H]2c2ccc(O)cc2)cc1 27077035 RQMNHBWIUIQYBE-GASCZTMLSA-N 254.289 2.512 0 1 CFAF CN1C[C@H](N)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 2356810473 AYCKMFOLAAWCFG-CABCVRRESA-N 294.358 2.594 0 1 CFAF C[C@@H](CNCc1ccoc1)Oc1cccc2ccc(N)nc12 28390424 VVBXQIQNAIYSIW-LBPRGKRZSA-N 297.358 2.967 0 1 CFAF CO[C@H]1C(=O)n2c3ccccc3c3ccnc(c32)[C@H]1OC 238754575 JWCNEMSVILJYCU-HUUCEWRRSA-N 282.299 2.546 0 1 CFAF CC(=O)Nc1cccc(CCc2ccc(NC(=N)N)cc2)c1 95581489 ZKKRHABLDRCQBK-UHFFFAOYSA-N 296.374 2.736 0 1 CFAF OCCC[C@@H](O)c1nccc2c1[nH]c1ccccc12 95619326 SPYBYBYFMPTBMD-CYBMUJFWSA-N 256.305 2.522 0 1 CFAF endogenous,in-man O=C(O)Cc1c(C2CC2)nc2cccc3c2c1CC3 587215615 RDEFMEYXIOICQL-UHFFFAOYSA-N 253.301 2.838 0 1 CFAF O=C1C[C@@H]([C@@H]2[C@H]3COC[C@H]32)Oc2c1ccc1c2CCCC1 587536256 SUXDOYGOKGUFRS-HDEZJCGLSA-N 284.355 2.792 0 1 CFAF Cc1cc2nc(-c3ccc(N(C)C)cn3)[nH]c2c(C)n1 587195272 SQAUZAQTSPEHSR-UHFFFAOYSA-N 267.336 2.703 0 1 CFAF O=C(/C=C/c1nc2cc(F)cnc2[nH]1)Nc1ccccc1 587243126 AXLXOMKNWUJXJC-VOTSOKGWSA-N 282.278 2.749 0 1 CFAF Fc1ccccc1CCc1nc2c(Cl)ncnc2[nH]1 587151303 WZUCEESHWQMWOF-UHFFFAOYSA-N 276.702 2.931 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c(N)cccc31)O2 587391031 RLLGPQJZYGTPGB-GOSISDBHSA-N 294.354 2.966 0 1 CFAF Nc1cc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2cc1N 587090446 QPMURVPQDSQBFY-QMMMGPOBSA-N 282.628 2.651 0 1 CFAF CNc1cc(Cl)ccc1-c1nc2cc[nH]c(=N)c2[nH]1 587066204 IZMQBOVUFWGAGE-UHFFFAOYSA-N 273.727 2.733 0 1 CFAF CN[C@H](c1cccnc1)c1nc2cc(C)cc(F)c2[nH]1 587222930 LUJSJHXWEJKXHY-CYBMUJFWSA-N 270.311 2.714 0 1 CFAF Cc1cc(C)c2[nH]c([C@@H](O)c3cccc(O)c3)nc2c1 586893748 WLRHPWFBKHFPKO-HNNXBMFYSA-N 268.316 2.967 0 1 CFAF CCOC1=C[C@]2(CC1)CC(=O)c1cc(C)cc(N)c1O2 587400602 RCBFTCVUWLGVIO-MRXNPFEDSA-N 273.332 2.995 0 1 CFAF CN1C(=O)CC[C@@H]1[C@H]1c2c(F)cccc2C[C@@H]2CCCN21 963102513 KNPQACZJAMDFFV-QEORTHHSSA-N 288.366 2.508 0 1 CFAF C[C@@H]1CCc2ccc(o2)-c2c(O)cc(O)cc2CC(=O)O1 13397803 AISOVTODKSJNIH-SECBINFHSA-N 288.299 2.778 0 1 CFAF COC(=O)[C@@H]1[C@H](c2ccccc2)[N@]1Cc1ccccc1 1857546631 CWIVVRPOHJFJTG-BQFCYCMXSA-N 267.328 2.785 0 1 CFAF CCCCC[C@](O)(Cn1cncn1)c1ccccc1F 1857771929 IMBMIVKMTFPKKU-HNNXBMFYSA-N 277.343 2.885 0 1 CFAF O[C@@H](C[C@@H]1c2ccccc2-c2cncn21)C1CCOCC1 205774299 JXTJKNFGBORUEK-WBVHZDCISA-N 284.359 2.631 0 1 CFAF C[C@@H]1C(=O)Oc2ccc(C(=O)c3ccccc3)cc21 26005220 PJOWSNKOYFCVBN-JTQLQIEISA-N 252.269 2.940 0 1 CFAF COC(=O)CC[C@@H]1CCC2(O[C@H](C)[C@@H](C)O2)[C@H]1C 2356335896 GRFWLIKOJLKQIX-IRCOFANPSA-N 256.342 2.506 0 1 CFAF O=C1[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1c1ccc(Cl)cc1O 4162315 OQNLBSKEHVOVGI-XXHBBNRNSA-N 291.734 2.581 0 1 CFAF CCCCSc1nsnc1[C@H]1CN2CC[C@@H]1C2 27443243 TXFYJYGOWBXYMH-ZJUUUORDSA-N 269.439 2.849 0 1 CFAF Cc1ccccc1[C@@H](c1c(C)noc1C)N1CCNCC1 28248014 UPAWVSFBLDGJLX-KRWDZBQOSA-N 285.391 2.594 0 1 CFAF C[C@@H]([C@@H](O)c1ccccc1)N(C)CCc1cccc(O)c1 2356674536 MCGDVGVSHUJNQS-KBXCAEBGSA-N 285.387 2.989 0 1 CFAF O[C@H](c1ccc(F)cc1)c1nc(-c2cncnc2)cs1 61926445 UTDLVWWAEQDZQH-CYBMUJFWSA-N 287.319 2.821 0 3 CFAF Brc1ccc(N2O[C@H]3C=C[C@@H]2CC3)nc1 73162525 VAUHQRNQIHPCQZ-ZJUUUORDSA-N 267.126 2.683 0 1 CFAF CC(=O)C[C@H]1N2CCC[C@@H]2C[C@@H](C)[C@@]1(O)c1ccccc1 85910510 FSRWSNKMDQDICY-BNEJOLLZSA-N 287.403 2.726 0 1 CFAF CCN[C@@H](C)C(=O)Nc1nsc2ccc(C)cc12 40917693 XEHPLODDQMQUTF-VIFPVBQESA-N 263.366 2.541 0 1 CFAF C/C1=C\CC(=O)[C@@H](C)C[C@H]2OC(=O)[C@H](C)[C@H]2CC1 523041536 KLZWSNKEPLKAOS-GZJDNEMJSA-N 250.338 2.890 0 1 CFAF biogenic COc1cccc(CCc2nc3nc(Cl)c[nH]c-3n2)c1 587931348 OEJFSBQFRYRHIV-UHFFFAOYSA-N 288.738 2.752 0 1 CFAF COC(=O)C[C@@H]1CCc2nc3cccc4c3c(c21)CC4 587214910 XBYKSWVXBPPKEQ-NSHDSACASA-N 267.328 2.926 0 1 CFAF COc1cc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2cn1 587136518 JTDZUUCRIDZQEO-UHFFFAOYSA-N 294.236 2.633 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3nccn3c1)O2 587394150 QYCDOBGESMOKOV-OAHLLOKOSA-N 293.326 2.931 0 1 CFAF Cc1ccc(/C=C\c2nc3cnnc(O)c3[nH]2)cc1F 587146739 UUWKUOJBXUGUKS-PLNGDYQASA-N 270.267 2.676 0 1 CFAF COc1ccc([C@@H](N)N=O)cc1OC1CCCC1 957756738 LHJQBPHCHSTXMQ-ZDUSSCGKSA-N 250.298 2.740 0 1 CFAF Cc1c(F)ccc2c1[C@@](c1cccs1)([C@@H](C)O)NCC2 962300794 QFJCCYSOAIXGSD-BZNIZROVSA-N 291.391 2.966 0 1 CFAF CC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)ccc12 1772617253 DLJAFGUYVMHCDZ-UHFFFAOYSA-N 267.288 2.894 0 1 CFAF CCOC(=O)[C@H]1Nc2ccc(Cl)cc2[C@H]2OCC[C@@H]12 5810570 GHKJKXIMOFTAGT-XDTLVQLUSA-N 281.739 2.775 0 1 CFAF CC[C@H]1CO/C(=C(\C(Cl)=C(Cl)Cl)[N+](=O)[O-])N1 13122215 XKDCHFULABXDBT-WJGHXNTRSA-N 287.530 2.716 0 3 CFAF CC(C)(C)c1ccc(COc2cnc(N)nc2N)cc1 13532427 DCOTUKJUYREKGG-UHFFFAOYSA-N 272.352 2.518 0 1 CFAF CC[C@H](N)Cc1cc(OC)c(SC)cc1OC 13641766 QHDXWWJHBCJTDG-JTQLQIEISA-N 255.383 2.706 0 1 CFAF COC(=O)c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 13731840 ITMSGLVTHCULLT-UHFFFAOYSA-N 270.332 2.673 0 1 CFAF NC(=O)c1sc(-c2ccncc2)nc1-c1ccccc1 169342554 JXEMNKCPYYRJQQ-UHFFFAOYSA-N 281.340 2.971 0 1 CFAF COCOc1ccccc1C[C@H]1Cc2cccc(O)c2C1=O 1857745798 ZBNAGORMSKKIJC-AWEZNQCLSA-N 298.338 2.973 0 1 CFAF Nc1c(CC(=O)O)cc(Cl)cc1C(=O)c1ccccc1 28769879 KWWGUYKWKFVFLY-UHFFFAOYSA-N 289.718 2.780 0 1 CFAF Cc1ccc(Nc2oc3cc(=O)ccc-3cc2C(N)=O)cc1 4057693 LCXGDCFGFQLMPD-UHFFFAOYSA-N 294.310 2.896 0 3 CFAF COc1cccc(C2(N(C)C)CCC3(CC2)OCCO3)c1 27433344 UTLHVXJZDQETMP-UHFFFAOYSA-N 291.391 2.769 0 1 CFAF [O-][N+]1=CC(c2cc3ccccc3o2)=[N+]([O-])[C@@H]2CCCC[C@H]21 101183430 PEQPGPBZDAYBSK-CHWSQXEVSA-N 284.315 2.638 0 1 CFAF C1=C[C@H]2C(c3ccnc(Nc4ccccc4)n3)=CNN2C=C1 28975964 YPESFKMUBQOVRB-INIZCTEOSA-N 289.342 2.833 0 1 CFAF Cn1cc(Cl)c(/C=C2\C(=O)Nc3ccccc32)n1 26578464 CWXPHBALXZAFCS-TWGQIWQCSA-N 259.696 2.566 0 1 CFAF O[C@@](c1ccc(Cl)cc1)(c1cccnc1)c1cncnc1 72185295 KQRRAQBITKWGBZ-INIZCTEOSA-N 297.745 2.809 0 1 CFAF COc1cc(C(C)=C[C@@H](C)C(C)=O)oc(=O)c1C 2356615801 MOPXMSJFYITBHO-MRVPVSSYSA-N 250.294 2.585 0 1 CFAF c1csc(-c2nc(CNCCCN3CCCC3)co2)c1 72181435 DPYULJLPLZXJDC-UHFFFAOYSA-N 291.420 2.979 0 1 CFAF CC(C)(C)CN1CCC[C@@]12Cc1ccccc1CNC2=O 71994017 ZPSPJTQBAZWHAC-SFHVURJKSA-N 286.419 2.740 0 1 CFAF CC[C@@]1(C)CC(=O)N(Nc2cccc(Cl)c2)C1=O 40404508 ZOHJQQQUXXXSMI-ZDUSSCGKSA-N 266.728 2.842 0 1 CFAF Cc1nc(NC(=O)Cc2ccccc2)c(C)c(C)c1O 221291678 VOAAVMVUMRKQFE-UHFFFAOYSA-N 270.332 2.894 0 1 CFAF Cc1cnc2[nH]c(-c3cc(F)c(F)c(N)c3F)nc2c1 587136065 BCOWCDMUVNKLHX-UHFFFAOYSA-N 278.237 2.933 0 1 CFAF O=C(/C=C/c1nc2c(Cl)ncnc2[nH]1)Nc1ccccc1 587245382 WWUSYTJHMDFXEO-VOTSOKGWSA-N 299.721 2.658 0 1 CFAF CCn1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 587392885 WQAXAWNWRZNZBD-HNNXBMFYSA-N 285.347 2.809 0 1 CFAF Cc1cc2nc(Cc3ccc(=N)[nH]c3)[nH]c2cc1C 587254141 HAEQYLLGEGPJLW-UHFFFAOYSA-N 252.321 2.578 0 1 CFAF COc1cc2c3c(c1)O[C@H]([C@@H]1CCCSC1)[C@@H](C2)C3=O 587454583 YWYIZRZTDOPVKB-RCAYSMOQSA-N 290.384 2.954 0 1 CFAF COc1cc2c3c(c1)O[C@H](CC[C@H]1CCOC1)[C@@H](C2)C3=O 587453377 OAUPRDLGPKRLRU-ZLKJLUDKSA-N 288.343 2.628 0 1 CFAF CC(C)(SCC(=O)O)c1nc2ccnc(Cl)c2[nH]1 586958746 IFPIUXFLUIKTAV-UHFFFAOYSA-N 285.756 2.664 0 1 CFAF C[C@H]1CC(C)(C)Cc2nc3nc(O)nc(O)c3cc21 587561766 KQUILFKZRQWGDL-ZETCQYMHSA-N 259.309 2.512 0 1 CFAF Nc1[nH]cnc1-c1[nH]c2cc(Cl)c(F)cc2c1N 587632045 BQQOOTTVUPPUKF-UHFFFAOYSA-N 265.679 2.515 0 1 CFAF CCCC(=O)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587404051 UFMCOMDWFAIEEU-OAHLLOKOSA-N 261.321 2.670 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)cn1)O2 587393935 OIWPDUHSOGMZAZ-MRXNPFEDSA-N 284.315 2.558 0 1 CFAF Cc1nn(C)c(F)c1[C@H]1NCCc2ccc(F)c(C)c21 962370868 FILYDWQXOVSSSR-AWEZNQCLSA-N 277.318 2.550 0 1 CFAF CC(=O)OCCc1c(C)c(O)c2c(c1C)[C@@H](O)C(C)(C)C2 1857633352 VIHHXDWCUWJCHV-MRXNPFEDSA-N 292.375 2.730 0 1 CFAF CC1=CC[C@]2(C)[C@@H](C=C1C)[C@H](C(=O)O)CC[C@H]2O 1857645417 JTFFSQBFSNENGR-QVHKTLOISA-N 250.338 2.761 0 1 CFAF O=C(O)c1nccc(-c2ccccc2C(F)(F)F)n1 1772599305 MPGFDOIDJJEVFT-UHFFFAOYSA-N 268.194 2.861 0 1 CFAF c1cncc(-c2ccc3ncc(-c4cccnc4)n3n2)c1 169306686 HSWJACCYXBWHAD-UHFFFAOYSA-N 273.299 2.853 0 1 CFAF NCCN[C@@H](c1ccc(Cl)cc1)[C@@H](O)c1ccccc1 169344991 LGSZWQKCKIQIPB-HOTGVXAUSA-N 290.794 2.663 0 1 CFAF Nc1nccn1C[C@@H](O)c1ccc(Cl)cc1Cl 169351074 NWISIWKJNNMDKJ-SNVBAGLBSA-N 272.135 2.506 0 1 CFAF CCCCN(C)C(=O)c1cn([C@@H](C)c2ccccc2)nn1 203475609 RSBUYCUNSWNKIE-ZDUSSCGKSA-N 286.379 2.760 0 3 CFAF COc1ccc([C@@H](C)NC(=O)Cc2ccccc2)nc1 66066424 ULTSTMCCXGNGHJ-GFCCVEGCSA-N 270.332 2.510 0 1 CFAF C[C@@H](Oc1cccc2nc(N)nc(N)c12)c1ccccc1 28971606 DXXZQWKKQKOALI-SNVBAGLBSA-N 280.331 2.934 0 1 CFAF CCCn1c(C)nc2cc3c(cc21)[C@H]1CNC[C@@H]3C1 28527893 SPWVDDOSSYRJLM-NWDGAFQWSA-N 255.365 2.929 0 1 CFAF O[C@H]1C[C@H]2CCCN3CCc4c(n1c1ccccc41)[C@H]23 34456914 KOIGYXJOGRVNIS-RLCCDNCMSA-N 268.360 2.845 0 1 CFAF in-man O=C1CCc2cc(-c3cncc(F)c3)cc3c2N1CC3 71330475 BCKDBHNDPZPVDM-UHFFFAOYSA-N 268.291 2.723 0 1 CFAF CCCCOc1cc(C(=O)N(C)C)nn1-c1ccccc1 33825070 GZOXWSYHZYFLPR-UHFFFAOYSA-N 287.363 2.753 0 1 CFAF CCC(CC)[C@@H](N)[P@@](=O)(O)Oc1ccccc1 49071232 QLPGCRNYFILOMW-LBPRGKRZSA-N 257.270 2.972 0 1 CFAF C[C@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)CCC[C@@](C)(O)[C@H]21 238757631 JVVPNUMNEHBXGD-ZLSAFIHNSA-N 252.354 2.515 0 1 CFAF NC(=O)c1cccc2c1-c1ccccc1[C@@]2(O)C(F)(F)F 144689063 RFCGNNCOVDVKKU-AWEZNQCLSA-N 293.244 2.564 0 1 CFAF C=C1c2ccccc2C(=O)N(C)c2ccc(CO)cc21 95552300 OXRCUCWHMWYTJK-UHFFFAOYSA-N 265.312 2.830 0 1 CFAF C=CC(=O)NCCCc1ccc(OC(F)(F)F)cc1 618017268 KSJVQISGGXNVDO-UHFFFAOYSA-N 273.254 2.820 0 1 CFAF COc1nn2cc(-c3nc4cccc(F)c4o3)nc2s1 653756197 IIDXTSVXASOBMQ-UHFFFAOYSA-N 290.279 2.747 0 1 CFAF N[C@H]1CC[C@@H]1c1nc2ccc(Br)cc2[nH]1 587246431 JOYHEGQJTITKCL-YUMQZZPRSA-N 266.142 2.530 0 1 CFAF COc1cncc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587435164 CFAFNFZNWXBXMC-DYVFJYSZSA-N 297.310 2.588 0 1 CFAF C[C@H](CCc1nc2cccc(F)c2[nH]1)CC(=O)O 587962855 JUCURWHYQSUQLT-MRVPVSSYSA-N 250.273 2.745 0 1 CFAF C[C@H](F)[C@@H](N)c1nc2ccc(Br)cc2[nH]1 587122148 BKFKAHCGVHXXIN-SSDLBLMSSA-N 272.121 2.683 0 1 CFAF CC/C(=C\c1nc2c(O)nc(=N)[nH]c2[nH]1)c1ccc(C)cc1 587966574 JAICXROLLAAQRI-CSKARUKUSA-N 295.346 2.730 0 1 CFAF CN[C@H](c1cccnc1)c1nc2ccc(C)cc2[nH]1 587227220 WVTKTQUSAHNAPF-CQSZACIVSA-N 252.321 2.575 0 1 CFAF CC1=C[C@]2(NCCc3c(C)ccnc32)c2ccc(N)cc2O1 963069407 MIFHDFHTZBYEOD-SFHVURJKSA-N 293.370 2.658 0 1 CFAF COC1=CC(=O)O[C@H](CCc2ccc3c(c2)CCC3)C1 1772628678 HXYIZNWQLFFNSE-OAHLLOKOSA-N 272.344 2.954 0 1 CFAF CCCC[n+]1cccc2c1CC[C@@H]1[C@H](O)CCC[C@@H]21 169320333 AMVOCAFZNUMROI-JLJPHGGASA-N 260.401 2.965 0 1 CFAF Cc1cc2nnn(CC(=O)c3ccccc3O)c2cc1C 1857614024 DTMYJWIVVRZAAX-UHFFFAOYSA-N 281.315 2.637 0 1 CFAF Nc1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccccc1-3 13532095 XBWNKFNHKYBWMV-UHFFFAOYSA-N 263.300 2.912 0 1 CFAF C[C@H](O)C[C@@H]1CC=C[C@@H](C[C@@H](O)c2ccccc2)N1C 2356425332 CZHJFVUTFXWPCR-QSPRXWTASA-N 275.392 2.510 0 1 CFAF COc1ccc(Cl)cc1C(=O)N1CCN=C1SC 4119733 WRJMIKIZJUVVDQ-UHFFFAOYSA-N 284.768 2.523 0 3 CFAF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc2ccccc2n1 101268554 GUYCQLRBHUURQF-MPTQWLOMSA-N 290.322 2.546 0 1 CFAF CN1CCN2C[C@H](c3ccc(O)cc3)c3ccccc3[C@H]2C1 58468259 KNYDPQMSVNKMHO-RTBURBONSA-N 294.398 2.826 0 1 CFAF C[C@@]1(CO)[C@H]2C[C@@H]3CN(C(=O)c4ccccc4)[C@@H](C2)[C@]31C 102957688 CTNCSHKEEQKIDX-FZMWSMFESA-N 285.387 2.556 0 1 CFAF O=C1NC[C@H](c2cccc(F)c2)N1c1ccc2[nH]cnc2c1 116196014 ZDYASQQMSRUQQN-OAHLLOKOSA-N 296.305 2.973 0 1 CFAF CC1=C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)CC(C)=CCC1 2356457538 TXSIFZZILWRCIY-ZOBORPQBSA-N 250.338 2.602 0 1 CFAF COC(=O)c1occ2c1C(C)=C1C[C@](C)(CO)C[C@@H]1C2 2356585628 WUGZRDYLMJPRIL-MGPLVRAMSA-N 276.332 2.804 0 1 CFAF CC(C=CC=C(C)[C@H](O)[C@H](C)C(=O)O)=Cc1coc(C)n1 2356672647 RVJCGWFQEPVLGJ-WFASDCNBSA-N 291.347 2.970 0 1 CFAF Nc1ccc(F)cc1C[S@@](=O)c1nc2ccccc2[nH]1 28226649 LGCPYLIELKMFPI-FQEVSTJZSA-N 289.335 2.592 0 1 CFAF Fc1cccc(-c2nc(CNC[C@@H]3CCCO3)co2)c1 72180776 VHWLYWAOCVMTBZ-AWEZNQCLSA-N 276.311 2.749 0 1 CFAF 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CC[C@H]1CCC(=O)[C@]12CC(=O)c1cc(C)cc(N)c1O2 587405581 MFNNRAAFVOZQTB-QFYYESIMSA-N 273.332 2.670 0 1 CFAF CC1(C)OC(=O)C[C@H]1c1nc2cc(F)c(F)cc2[nH]1 586906962 GGLDWSDZQKDMOL-LURJTMIESA-N 266.247 2.650 0 1 CFAF COc1cc2[nH]c(/C=C/C=C/C(=O)O)nc2cc1C 587969762 WHPWPKQJQREVSM-GGWOSOGESA-N 258.277 2.534 0 1 CFAF CNc1c(F)cccc1-c1nc2cncc(OC)c2[nH]1 587136388 ZNSZQDNGAJRCEP-UHFFFAOYSA-N 272.283 2.814 0 1 CFAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3c(O)nc(O)nc3[nH]2)C1 587969969 WGFWIMBUXXJCGF-HTQZYQBOSA-N 276.340 2.694 0 1 CFAF Oc1nc(O)c2ccc(-c3ccc(F)c(F)c3F)nc2n1 587369000 ZLEJNHWUALTBTA-UHFFFAOYSA-N 293.204 2.520 0 1 CFAF c1ncc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2n1 586892074 TWDJTXZJPJAYNW-VEABSNGSSA-N 254.337 2.821 0 1 CFAF N[C@]1(c2nc3cc(F)cnc3[nH]2)C[C@H]1c1ccccc1F 587153886 BBPXQYYSQGAZTB-ZUZCIYMTSA-N 286.285 2.578 0 1 CFAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587393136 CKTLFPHLAIOQRC-AWEZNQCLSA-N 284.315 2.687 0 1 CFAF COc1cc(F)c([C@@H]2NCCc3c(C)ccnc32)c(F)c1 963076892 TVRZVSUZZABEPX-INIZCTEOSA-N 290.313 2.912 0 1 CFAF O=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1O 140944301 UQKVQPWUSGPMCO-UHFFFAOYSA-N 259.217 2.666 0 1 CFAF CCCCOc1cc(C)c(NC(=O)CCN)c(C)c1 169315389 JORDXVCUDRTUNV-UHFFFAOYSA-N 264.369 2.770 0 1 CFAF O=C(c1ccccc1)c1cccc2c1CO[C@@H]2C(=O)O 27989854 ILFBYGANMFVAME-HNNXBMFYSA-N 268.268 2.574 0 1 CFAF COc1ccc2c(c1)[C@]13CCN(C)[C@H](C2)[C@@H]1CCC(=O)C3 29471354 FCJHDGUWJDXJKI-JQHSSLGASA-N 285.387 2.562 0 1 CFAF Nc1nc(CC2(O)CCCCC2)cc(-c2ccccc2)n1 1622750 XPEWIIZLDMDSIN-UHFFFAOYSA-N 283.375 2.964 0 1 CFAF COc1cncc(N/C(=C/[N+](=O)[O-])N[C@H](C)C(C)(C)C)c1 100028706 CDONENYHRNSTMQ-QQMDNXKGSA-N 294.355 2.602 0 1 CFAF COc1ccc2c(c1)C(=N)C(Cc1ccncc1)=C2O 100011813 XXQLIQFVMYWNAC-UHFFFAOYSA-N 266.300 2.983 0 1 CFAF in-vivo CC(=O)Nc1cccc(-c2sc3cccc[n+]3c2O)c1 29402075 CVBXFXKFSXBUAC-UHFFFAOYSA-O 285.348 2.818 0 1 CFAF COc1ccc(/C=C\c2ccc(OC)c(O)c2)c(OC)n1 28702614 QNSRCHJBRNLLRE-XQRVVYSFSA-N 287.315 2.983 0 1 CFAF CC(=O)O[C@@H](CC=C(C)CO)C(C)=CCCC(C)=CCO 2356527378 FKZKSYSFWQITBQ-KRWDZBQOSA-N 296.407 2.912 0 1 CFAF COC(=O)[C@H]1[C@H](c2ccccc2)N1Cc1ccccc1 28530588 CWIVVRPOHJFJTG-SWQDIRLTSA-N 267.328 2.785 0 1 CFAF C[C@@H]1[C@H](O)CC(=O)[C@]2(C)CC[C@@H]3[C@@H]4[C@H](C)CC[C@]4(O)C[C@@]132 2356803948 XPMDRPZFPBRXLT-REMPDSIFSA-N 292.419 2.540 0 1 CFAF Cc1cc(C)nc(SCn2cnc3ccccc3c2=O)n1 96910563 GAOQUPNEUQEUQJ-UHFFFAOYSA-N 298.371 2.553 0 1 CFAF O[C@H](CSc1ccncc1)C[C@@H](O)c1ccccc1 95784936 KGDZVDIVSRDKMM-DZGCQCFKSA-N 275.373 2.658 0 1 CFAF COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(F)cc1)O2 261174429 UNNABHWRKRTYKT-IGQOVBAYSA-N 264.296 2.650 0 1 CFAF OCCCc1cn(CCCCCCCCCF)nn1 473134405 CALNAJZNKOJRTM-UHFFFAOYSA-N 271.380 2.903 0 1 CFAF COC(=O)C[C@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 587399171 JBMUQYBHTBXICD-INIZCTEOSA-N 291.347 2.500 0 1 CFAF Cc1[nH]c2cc(Cl)c(F)cc2c1N1C(=O)CCC1=O 587631514 DAJIHFHHJVKPFO-UHFFFAOYSA-N 280.686 2.922 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN3CCCC[C@H]31)O2 587396291 YIQONAUPTUBWEK-RDJZCZTQSA-N 286.375 2.539 0 1 CFAF Cc1nccc2[nH]c(-c3ccc4c(c3)NC(=O)CS4)nc12 587043852 OEKIJSIZWYLZDH-UHFFFAOYSA-N 296.355 2.978 0 1 CFAF COc1cncc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c12 586905224 ZRYSZLWDMJFKFS-WCQYABFASA-N 281.315 2.536 0 1 CFAF Cc1cnc(Cl)c2[nH]c(-c3csc(O)n3)nc12 587017132 IQFMSLBEFGOTRZ-UHFFFAOYSA-N 266.713 2.749 0 1 CFAF COC(=O)C(C)(C)C[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587400171 OXBSZJWRLQUCNF-JTQLQIEISA-N 291.347 2.500 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cccc(C)n1)[C@@H](C2)C3=O 587435520 IISLVHWSANSCQF-YVEFUNNKSA-N 281.311 2.887 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)cn1)O2 587387224 OJTUPSAJIMWHMY-AWEZNQCLSA-N 272.279 2.818 0 1 CFAF Nc1cccc(C(=O)O)c1-c1nc2cccc(F)c2[nH]1 587248328 NFGRAVCWXYYGPA-UHFFFAOYSA-N 271.251 2.649 0 1 CFAF C[C@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)N(C)C 587189344 BMNNWLVJWIINEK-SSDOTTSWSA-N 255.724 2.848 0 1 CFAF CC(C)(F)c1ncncc1[C@H]1NCCc2ccc(O)cc21 963339664 ADMOSBWZLDSBQC-AWEZNQCLSA-N 287.338 2.622 0 1 CFAF CCCCC[C@H](CC(C)=O)n1cnc2c(N)ncnc21 1857759399 KPOXBGDXOOQXJK-LLVKDONJSA-N 275.356 2.509 0 1 CFAF Cc1nc2ccccc2nc1S(=O)(=O)c1ccccc1 970431 AOVXUWYQRXOFQJ-UHFFFAOYSA-N 284.340 2.771 0 1 CFAF CC(=O)O[C@@H](C=C(C)CCC=C(C)CO)CC(C)=CCO 2356385448 YVXXFTKPCWYGHH-KRWDZBQOSA-N 296.407 2.912 0 1 CFAF COc1ccccc1-c1cc(Nc2cc[nH]n2)ncn1 4239244 AYLDUSFSYKQSKR-UHFFFAOYSA-N 267.292 2.619 0 1 CFAF CN(C)C[C@H](Cn1cncn1)c1ccc(Cl)cc1Cl 103174548 VVAHSRGNFFZYBO-SNVBAGLBSA-N 299.205 2.930 0 1 CFAF COc1cccc(S[C@@H](C)CNC(=O)C2CC2)c1 58582210 IREAESBFNUITAT-JTQLQIEISA-N 265.378 2.702 0 1 CFAF C[C@@H]1CC[C@H]2[C@@H](C)CO[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 26824408 FSZYCJZXDCDPHN-QLMDPUNJSA-N 252.354 2.937 0 1 CFAF CC(=O)OC=C(C)[C@@H]1CC[C@@H](C)C1=COC(C)=O 2356543801 XWSAKQNRGFHFHM-RNCFNFMXSA-N 252.310 2.946 0 1 CFAF O=C(NCc1cccc(O)c1)c1cc2c(O)cccc2[nH]1 27551071 QGJXRXYVXUSPAP-UHFFFAOYSA-N 282.299 2.509 0 1 CFAF CNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1 40899818 CFPRFHJCKSKOOT-UHFFFAOYSA-N 291.358 2.646 0 1 CFAF Cc1ccc(C2=CC(=O)N(Cc3ccccc3)C2=O)cc1 84690909 PLQCDKKQKRJJDK-UHFFFAOYSA-N 277.323 2.947 0 1 CFAF CCOC(=O)[C@H](C)[C@@H]1NCCc2c1[nH]c1ccccc21 95556935 MGNUTJXZFFVDDU-YGRLFVJLSA-N 272.348 2.554 0 1 CFAF C[C@]12CC3(CCCC3)C(=O)N1[C@H](CO)Cc1ccccc12 473124821 PPAAKAFPPMBHSM-WMLDXEAASA-N 285.387 2.612 0 1 CFAF c1cc2cc(-c3cn([C@H]4CN5CCC4CC5)nn3)ccc2[nH]1 653845318 FBFVECUFQXIPMF-KRWDZBQOSA-N 293.374 2.693 0 1 CFAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(C1CC1)CC2=O 587478700 BLHWAULPMTXEKY-MRXNPFEDSA-N 290.315 2.543 0 1 CFAF CC(C)(C)[C@H](N)c1nc2c(F)cnc(Cl)c2[nH]1 587258041 VJPOMAKUGGTOBE-MRVPVSSYSA-N 256.712 2.796 0 1 CFAF CCOC(=O)CC[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587398575 FJMFAMZAGANWNJ-MRXNPFEDSA-N 291.347 2.644 0 1 CFAF CC1(C)NC(=O)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587528287 YPHKMSFKNUFJKY-GOSISDBHSA-N 299.370 2.568 0 1 CFAF CCOC(=O)[C@H](C(C)=O)c1c(C)nc2cccc3c2c1CC3 587211045 BJFFBTGBUDJGHQ-MRXNPFEDSA-N 297.354 2.878 0 1 CFAF CNC(=O)c1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12 587637688 GDZNOJZFHKHEHX-UHFFFAOYSA-N 294.310 2.893 0 1 CFAF Oc1nc(S)nc2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc12 587959367 DKFLMJNEJWAMQH-UWVGGRQHSA-N 298.371 2.693 0 1 CFAF Nc1ccnc2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc12 587081464 XBPWEBYJVIZOFU-LLVKDONJSA-N 286.722 2.870 0 1 CFAF Oc1cccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 587117589 DUSPWXZMMJXCEJ-UHFFFAOYSA-N 296.252 2.727 0 1 CFAF CC(C)C[C@@H]1CCc2nc3nc(O)nc(O)c3cc21 587562227 SIEYOPGRLBOPCK-QMMMGPOBSA-N 259.309 2.512 0 1 CFAF CC(C)c1nn(C)c2c1[C@@H](c1cccc(F)c1)NCC2 962918389 IPOLOLGGGDMVHR-MRXNPFEDSA-N 273.355 2.918 0 1 CFAF O=Nc1c(O)nc2c(F)c(F)c(F)c(F)c2c1O 13757451 GBHKIEMWEZGEJZ-UHFFFAOYSA-N 262.118 2.600 0 1 CFAF O=C(O)COc1c(C(=O)O)sc2c(Cl)cccc12 14955000 KLQJHVXSQREJKC-UHFFFAOYSA-N 286.692 2.716 0 1 CFAF Oc1cccc(-c2nccc([C@@]34CCOC[C@H]3C4)n2)c1 1857600313 AEIPQWQRUBJPGJ-MLGOLLRUSA-N 268.316 2.527 0 1 CFAF COc1cc([C@H](C)O)c[n+](CC[C@H]2CNc3ccccc32)c1 1630260 YZGGZETUQKBYKW-KBPBESRZSA-N 299.394 2.635 0 1 CFAF OCc1ccccc1/N=c1/ssnc1Cl 100475568 CEBUEZODNIPSKX-PKNBQFBNSA-N 258.755 2.583 0 1 CFAF CC(C)[C@@H](C=C[C@]1(C)C[C@@H](O)CO1)CC[C@H](C)O 2356433461 KESQMTSCBAOJNY-GBJTYRQASA-N 256.386 2.516 0 1 CFAF CCc1ccc(N[C@@H]2N=C3C=C(C)NN3S2)cc1 100475355 BGINRLICKFVLEV-CYBMUJFWSA-N 260.366 2.729 0 3 CFAF COc1ccc2c(c1)C(=O)N(c1ccc(N(C)C)cc1)C2=O 29038370 LLWDDULGJOBRFS-UHFFFAOYSA-N 296.326 2.562 0 1 CFAF CN1Cc2c(N)cccc2[C@@H](c2ccc(F)cc2)C1 28220917 FKNHOQSIGVTVJZ-CQSZACIVSA-N 256.324 2.985 0 1 CFAF COC(=O)c1ccc(O)c([C@H]2OCCc3ccccc32)c1 25981821 DHVDJXWJMFIFMS-INIZCTEOSA-N 284.311 2.841 0 1 CFAF C[C@H](C(=O)O)[C@H]1CC[C@@H](C)[C@H]2CCC(C(=O)O)=C[C@@H]12 2356626085 KRUUDBOQHFKKKU-NJIBTWPXSA-N 266.337 2.790 0 1 CFAF CO[C@@H]1CCCCC[C@H](C)OC(=O)C=C[C@H](O)CC1 2356801167 QLHJXXLYINWOCT-BFHYXJOUSA-N 270.369 2.595 0 1 CFAF C[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2ccc(F)cc2F)CO1 210832217 OLZWOORXDWFBII-FZNYLWTLSA-N 298.358 2.647 0 1 CFAF CCN(CC)c1cc(=O)nc2n(CC)c3ccccc3n12 95589698 HBKVPTFPQUCYKU-UHFFFAOYSA-N 284.363 2.515 0 1 CFAF COC(=O)[C@@H]1[C@@H]2CCC[C@H]1N(Cc1ccccc1)CC2 473115333 RZTOCSOLBKMUDJ-BZUAXINKSA-N 273.376 2.850 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H]2CCO[C@@H]2C1(C)C 587407472 IOQQZAXSLKVJLA-PJQXDXOGSA-N 287.359 2.726 0 1 CFAF CC[C@]1(c2nccn2C)CC(=O)c2cc(C)cc(N)c2O1 587389065 DZVNIMCDJINUND-MRXNPFEDSA-N 285.347 2.581 0 1 CFAF Ic1cnc2[nH]c(C3CCC3)nc2c1 586884923 SCVAIFPGNVUWMF-UHFFFAOYSA-N 299.115 2.830 0 1 CFAF COC(=O)c1cc2nc(-c3ccoc3C3CC3)[nH]c2cn1 586902300 XXGTZRSFCZWSGN-UHFFFAOYSA-N 283.287 2.882 0 1 CFAF Oc1nc(O)c2ccc(/C=C/c3ccccc3F)nc2n1 587368145 JAAAHJYPVZLSNZ-AATRIKPKSA-N 283.262 2.746 0 1 CFAF COC(=O)Cc1ccccc1-c1nc2c(C)nccc2[nH]1 587783241 JRCHPZRSISUGFO-UHFFFAOYSA-N 281.315 2.649 0 1 CFAF CCCCOC(=O)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587398870 GAQAWLNEHPVNTM-MRXNPFEDSA-N 291.347 2.644 0 1 CFAF Nc1[nH]cnc1-c1[nH]c2ccc(F)c(Cl)c2c1N 587632847 SGLGVLPKBMRVMN-UHFFFAOYSA-N 265.679 2.515 0 1 CFAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cnncc3[nH]2)c1F 587152353 MCSYBDQBGKKKMB-IUCAKERBSA-N 272.258 2.902 0 1 CFAF O=C1c2cccc(O)c2CC[C@@H]1Cc1ccncc1 13824072 DAOQXQRTKZYREH-GFCCVEGCSA-N 253.301 2.775 0 1 CFAF CC(C)=CCC[C@@]1(C)Oc2ccc(C(N)=O)cc2C[C@H]1O 2356341308 LIJVEWSHDPKZMX-NVXWUHKLSA-N 289.375 2.586 0 1 CFAF C=Cc1ccc([C@H]2C[C@H]3CC[C@@H](N3)[C@H]2C(=O)OC)cc1 100779758 KHYFCJWXLVZFLY-FPCVCCKLSA-N 271.360 2.727 0 1 CFAF CC1=CC(=O)N[P@@](=O)(C23CC4CC(CC(C4)C2)C3)N1 102921746 WTXODEBLBZCEAI-BPTWCXGISA-N 280.308 2.772 0 1 CFAF CC(C)=CN1CCn2c(=O)[nH]c3cccc(c32)[C@@H]1C 101713427 RXLJHOSAJUOLFY-NSHDSACASA-N 257.337 2.630 0 1 CFAF Cc1ccc2nc3c(O)n(CCc4c[nH]cn4)cnc-3c2c1 101926733 POXFTBLCUGDBKH-UHFFFAOYSA-N 293.330 2.516 0 1 CFAF O=C1[C@H](Cc2ccccc2)OCCN1Cc1ccccc1 29402172 WNYDUBIOYBARFF-KRWDZBQOSA-N 281.355 2.657 0 1 CFAF COc1ccc(CCC2=C(O)C=C[C](C)N2)cc1O 2356868752 BIIRKQBNCYCGIR-UHFFFAOYSA-N 260.313 2.814 0 1 CFAF O=C1CC[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N1 28085991 FTQANZLJVGKRIL-INIZCTEOSA-N 279.339 2.949 0 1 CFAF CCCCCC[C@H]([C@@H](C)O)n1cnc(C(N)=O)c1Cl 34633633 ANJUWBLUJCKCDG-NXEZZACHSA-N 287.791 2.528 0 1 CFAF CCN(CC)CCNCc1coc(-c2ccc(F)cc2)n1 72183421 GZVLPHIQIVPNRS-UHFFFAOYSA-N 291.370 2.912 0 1 CFAF Cc1ccc([C@@H](C)CCOC(=O)C(C)(C)O)cc1 238754361 YZUKJJBWZXYQRZ-LBPRGKRZSA-N 250.338 2.803 0 1 CFAF C[C@H](Cc1nc2c(Cl)cnc(Cl)c2[nH]1)N(C)C 587192648 YEZAUPNMQQQMDR-ZCFIWIBFSA-N 273.167 2.757 0 1 CFAF COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccn1 587393326 GDPHCPUVHYYEOX-KRWDZBQOSA-N 298.342 2.861 0 1 CFAF Oc1nccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c12 587090738 WVJZLPOGWNIJOW-SSDOTTSWSA-N 269.585 2.587 0 1 CFAF COc1ccc(-c2nc3cnccc3[nH]2)c(OC)c1C 587788124 PYULXQBRAUQGSS-UHFFFAOYSA-N 269.304 2.951 0 1 CFAF c1c2c(cc3[nH]c(C4CC5(COC5)C4)nc13)OCCCO2 586916242 XDLBKNWXHBTNIN-UHFFFAOYSA-N 286.331 2.618 0 1 CFAF CO[C@@H](C)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874253 ZKJNCNFEXMIKBZ-ZETCQYMHSA-N 262.240 2.470 0 1 CFAF Nc1ncccc1Cc1nc2cc(C(F)(F)F)cnc2[nH]1 587254047 PFXWVXPMGPFBAE-UHFFFAOYSA-N 293.252 2.545 0 1 CFAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](C2CC3(CC3)C2)N1 962896176 JFODZEPBBUQEAG-UONOGXRCSA-N 275.323 2.656 0 1 CFAF Cc1c(F)ccc2c1[C@](c1cccs1)([C@@H](C)O)NCC2 962300792 QFJCCYSOAIXGSD-BDJLRTHQSA-N 291.391 2.966 0 1 CFAF CN(C)c1ccc2nccc(-c3ccncc3)c2n1 1857750746 VIXLRXNDOFTPJP-UHFFFAOYSA-N 250.305 2.758 0 1 CFAF COc1ccc2[nH]c3c(-c4ccnc(N)n4)nccc3c2c1 13365921 HLTDPJMFZSBTFO-UHFFFAOYSA-N 291.314 2.764 0 1 CFAF CC[C@@](O)(C(=O)Nc1ccccc1Cl)C(F)(F)F 13804009 KULYLPBTFPTNCH-SNVBAGLBSA-N 281.661 2.982 0 1 CFAF COc1c(O)ccc2c1OC[C@H](Cc1ccc(O)cc1)C2 14810996 CPKWBZLDPWJFPM-GFCCVEGCSA-N 286.327 2.900 0 1 CFAF biogenic,in-vitro COC(=O)CC=C1c2ccc3c(c2[C@@H](OC)[C@H]1C)OCO3 1857623244 ZQDNTSRZBRBSHA-VFZGTOFNSA-N 290.315 2.699 0 1 CFAF O=C1O[C@@H]([C@@H]2Cc3ccccc3C2=O)c2ccccc21 1646149 ZWKQKSLGBZLXER-GDBMZVCRSA-N 264.280 2.953 0 1 CFAF C[C@H]1CO[C@]2(c3ccccc3)c3ccccc3C(=O)N12 6495225 VTYRAULVRJDWJZ-YVEFUNNKSA-N 265.312 2.762 0 1 CFAF Cc1cccc(NC2=NS(=O)(=O)c3ccccc3N2)c1 9529617 HDAYAAOABDSEGW-UHFFFAOYSA-N 287.344 2.577 0 1 CFAF O=Cc1ccc(-c2cc(=O)[nH]nc2-c2ccccc2)cc1 26958573 XDZQYYQLLVJINY-UHFFFAOYSA-N 276.295 2.916 0 1 CFAF C[C@]12C[C@@H](O)C(=O)C=C1CC[C@@H]1[C@@H]3CCC(=O)[C@@H]3CC[C@@H]12 27874430 GPYFKKFYUXDLFT-GLKISUSDSA-N 288.387 2.668 0 1 CFAF N[C@@H]1Cc2c3n(c4ccc(O)cc24)C(=O)C[C@H]2CCC[C@@H]1[C@@H]32 27903241 XRWKPIBENXGWOO-SZMHQZGZSA-N 296.370 2.774 0 1 CFAF CC1=C[C@H](O)[C@@H]2[C@H](C=C(C)CCC1)OC(=O)[C@@H]2C 2356444005 GVPJXSQYSBKZEM-ZOBORPQBSA-N 250.338 2.602 0 1 CFAF CC[C@@H]1[C@H]2CCN(C)[C@H]1[C@@H]1c3ccccc3N[C@@H]1[C@@H]2CO 2356504386 PDVIEYDJFPUAAG-TWFPDJJNSA-N 286.419 2.533 0 1 CFAF C[C@](O)(CN1CC=NC1)c1ccc2c(c1)Cc1ccccc1-2 28013259 NARIZFADPCLJEO-IBGZPJMESA-N 292.382 2.809 0 1 CFAF CC(C)=CCn1cc(CC(N)=O)c2cc(F)ccc21 64540295 VQXFFCQRQHZMOL-UHFFFAOYSA-N 260.312 2.774 0 1 CFAF O=C1c2c(cc(C3CC3)cc2C(F)(F)F)[C@@H]2CNCCN12 36270525 SZJSOYXYBMPMRH-LBPRGKRZSA-N 296.292 2.683 0 1 CFAF O=C(CCc1ccc(Cl)cc1)C(=O)N1CCCCC1 1911585223 TYSBFQIHZJKMFT-UHFFFAOYSA-N 279.767 2.854 0 1 CFAF C=CC(=O)NC1=CC=C2N=CN=C(Nc3cccc(C)c3)[C@H]21 40915481 CWKHHWBULLPWMQ-MRXNPFEDSA-N 292.342 2.547 0 1 CFAF CCCc1cc(=O)oc2cc3c(c(O)c12)C(=O)C[C@H](C)O3 40939906 OMSVDZFJLVKJSP-QMMMGPOBSA-N 288.299 2.805 0 1 CFAF CSc1cc(-c2nc(-c3ccnc(C)c3)n[nH]2)ccn1 49033153 WZDAYXIFFGXANA-UHFFFAOYSA-N 283.360 2.959 0 1 CFAF Cc1cccc(N2C(=O)CS[C@@H]2c2ccccn2)n1 95564433 ROCLKIQUIFRZTB-CQSZACIVSA-N 271.345 2.564 0 1 CFAF O=C1c2ccoc2CC[C@H]1Cc1nc2cnccc2[nH]1 586907298 LFDACIUNCVNXEB-VIFPVBQESA-N 267.288 2.539 0 1 CFAF N[C@@H](Cc1nc2ncc[nH]c-2n1)c1cccc2ccccc12 587258211 ASUFZLULDAAGJM-AWEZNQCLSA-N 289.342 2.700 0 1 CFAF C[C@]1(CN=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569610 GVAKGUQCIGQURT-CZUORRHYSA-N 299.282 2.879 0 1 CFAF NCCOCc1nc2cccc(OCc3ccccc3)c2[nH]1 587246962 ZVUFGPBRTXALQM-UHFFFAOYSA-N 297.358 2.617 0 1 CFAF CC1([C@]2(C)c3ccsc3CCN2C(N)=O)CCOCC1 962717963 XZCRVIMIPWZHFG-HNNXBMFYSA-N 294.420 2.717 0 1 CFAF CN1CCc2cnn(C)c2[C@]12CCCc1cc(F)ccc12 963953537 ARTHSWPDLHRGLI-QGZVFWFLSA-N 285.366 2.627 0 1 CFAF c1ccc([C@@H](OCCCc2cnc[nH]2)c2cncnc2)cc1 1772616435 GDFLSTBWIZIRQT-QGZVFWFLSA-N 294.358 2.939 0 1 CFAF CCCCNC(=O)[C@H]1Cc2c(sc3ccccc23)CN1 13833808 ZSIKUFVUZJGTOX-CYBMUJFWSA-N 288.416 2.832 0 1 CFAF Oc1ccccc1C[C@@H](c1ccccc1)[C@@H]1CNCCO1 209736788 HZGMLKLNHBUEIR-WMZOPIPTSA-N 283.371 2.707 0 1 CFAF CC(C)(O)CC[C@]1(C)CC(=O)c2cc(O)ccc2O1 1857575994 BMNCXFOSJYBZRW-OAHLLOKOSA-N 264.321 2.667 0 1 CFAF c1ccc(OCCNC[C@H]2CO[C@@H](c3ccccc3)O2)cc1 29312957 SBYUKHBAZJUFBU-ZWKOTPCHSA-N 299.370 2.769 0 1 CFAF N=C(N)Nc1nnc(-c2cccc3ccccc23)s1 28007929 IYVZQLOWQRXKGC-UHFFFAOYSA-N 269.333 2.664 0 1 CFAF NCCc1c[nH]c(Cc2cccc(C(F)(F)F)c2)n1 28755973 JCHKKSDWHBRMOE-UHFFFAOYSA-N 269.270 2.521 0 1 CFAF CCCN1CC[C@@]2(CC)c3cc(O)ccc3O[C@H]2C1 26292460 YJSKGKXTENWDAY-HOTGVXAUSA-N 261.365 2.917 0 1 CFAF CC[C@H]1CCC2=C[C@H]3C(C(F)(F)F)=CC(=O)N[C@@H]3C=C2N1 101113933 CBBKASYECJYSCB-OUJBWJOFSA-N 298.308 2.576 0 1 CFAF COc1ccc([C@@H](O)[C@H]2c3ccc(OC)cc3CN2C)cc1 2356402090 YFIREVBFRVUNCE-QZTJIDSGSA-N 299.370 2.924 0 1 CFAF CCC[C@H]1N[C@@H](C(=O)OC)Cc2c1[nH]c1ccccc21 34488027 OTLPIVLPOZNBIP-ZIAGYGMSSA-N 272.348 2.696 0 1 CFAF CCCN[C@@H](C)C(=O)Nc1nsc2ccccc12 40918582 NAJWEQVNNGBYMA-VIFPVBQESA-N 263.366 2.623 0 1 CFAF NC(=O)COc1ccc(-c2cc3ccccc3[nH]2)cc1 82149467 RGTSOPURPNVADL-UHFFFAOYSA-N 266.300 2.699 0 1 CFAF CC[C@H]1OCCC[C@H]1c1nc2ccc(C(=N)N)cc2[nH]1 586914063 UFGNDDSZISJNLL-ZWNOBZJWSA-N 272.352 2.520 0 1 CFAF Cc1nc(C)c(Cc2nc3nc(Cl)c[nH]c-3n2)s1 587011224 DYNXYRRCEDCPQC-UHFFFAOYSA-N 279.756 2.622 0 1 CFAF c1c[nH]c2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc-2n1 586887175 FIKRIMRZKMQIET-ZVXAKGHKSA-N 254.337 2.772 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)C[C@H]3c1cccc(Cl)c1 587369243 WNNRKXOLEKTFFW-VIFPVBQESA-N 299.717 2.777 0 1 CFAF O=c1c2cc(Cl)ccc2cnn1-c1nccnc1C1CC1 587652787 KCLRNRBZMBARKY-UHFFFAOYSA-N 298.733 2.707 0 1 CFAF Fc1cnc(-n2nc3cc2Oc2ccc(F)cc2-3)nc1 587874134 VHDSPRJSMQSODW-UHFFFAOYSA-N 272.214 2.713 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccnc1C)O2 587393705 KKAOJYNNLPULOV-HNNXBMFYSA-N 268.316 2.987 0 1 CFAF CC1=CC[C@H](c2ccc3c(O)nc(O)nc3n2)CC1 587561963 MUSSXRNZOTYORW-VIFPVBQESA-N 257.293 2.650 0 1 CFAF CN1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC1=O 587515925 XQAQAHFQNMHPNU-SFHVURJKSA-N 299.370 2.522 0 1 CFAF CC1=C[C@]2(C(=O)CO1)c1ccc(F)cc1C[C@H]1CCCN12 963113806 ZYNUNWBKOWRXOP-RHSMWYFYSA-N 287.334 2.545 0 1 CFAF CC(=O)Cc1c(C(C)C)sc2nc(C)nc(O)c12 1857605768 PXYSBGWSXUJNAN-UHFFFAOYSA-N 264.350 2.960 0 1 CFAF Cc1cnc(NC(=O)CCCOc2ccc(O)cc2)s1 1857606362 ZTSMUXSIUXFLQW-UHFFFAOYSA-N 292.360 2.955 0 1 CFAF C[C@@H]1CCCN(C(=S)SC(=S)N(C)C)C1 1857635368 ZMTSBJJMSKJXPU-MRVPVSSYSA-N 262.469 2.583 0 1 CFAF NCc1c(N)nc(-c2ccccc2)nc1-c1cccc(F)c1 14948318 NYNHRGHZBUZDNE-UHFFFAOYSA-N 294.333 2.991 0 1 CFAF CCNc1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1 14968381 UJYRQBRFTFDTGJ-UHFFFAOYSA-N 256.227 2.979 0 1 CFAF CN1[C@H]2CCC[C@H]1[C@H](OC(=O)Nc1ccccc1)C2 169328821 CWGOEBCFAFOITL-MELADBBJSA-N 260.337 2.860 0 1 CFAF CNC(=S)N1N=C(c2ccccn2)C[C@H]1c1ccccc1 169328246 GGNVWMVMKPLAFT-HNNXBMFYSA-N 296.399 2.737 0 1 CFAF CCC[C@H](O)C[C@H]1CCC[C@@H](C[C@H](O)CCC)N1C 169676031 BEHRYCYNRCQBOK-SYMSYNOKSA-N 271.445 2.942 0 1 CFAF CN1CCC(CCc2c(O)c3ccccc3[nH]c2=O)CC1 169712415 SFXBDWQARXPEFK-UHFFFAOYSA-N 286.375 2.508 0 1 CFAF COc1ccc2c(c1)C(=O)c1ccc(C(=O)O)cc1CC2 39241992 HBLJJLSPZHYUSZ-UHFFFAOYSA-N 282.295 2.723 0 1 CFAF C[C@H]1CCC[C@@H](NC(=O)COC(=O)c2cccs2)[C@@H]1C 6199853 OTYSXRLCDKZLCS-QJPTWQEYSA-N 295.404 2.846 0 1 CFAF CCCN1CCC[C@](C(=O)OCC)(c2cccc(O)c2)C1 26286669 IXSONMWUQDCFHR-QGZVFWFLSA-N 291.391 2.699 0 1 CFAF c1ccc(Cc2nsc([C@H]3CN4CC[C@H]3C4)n2)cc1 26180192 UKDKFBQSHARSBJ-STQMWFEESA-N 271.389 2.548 0 1 CFAF CCC1=C[C@](CC)(C[C@H](CC)[C@H](O)[C@H](O)CC)OC1=O 2356524369 BDLUQCFNXXOLMR-AEIGPULVSA-N 284.396 2.577 0 1 CFAF CC1(C)CC[C@](C)(O)[C@@H]2CCC(C(=O)O)=C[C@H]2C1 2356721442 FCCZNLPVQDZELH-ZOWXZIJZSA-N 252.354 2.985 0 1 CFAF C[C@@H]1[C@H](O)CC(=O)[C@]2(C)CC[C@@H]3[C@H]4[C@H](C)CC[C@]4(O)C[C@@]132 2356803947 XPMDRPZFPBRXLT-JWQPCQEPSA-N 292.419 2.540 0 1 CFAF N[C]1SC(C(=O)c2cccs2)=NN1c1ccccc1 2356834914 ORKOTZYENWXKNB-UHFFFAOYSA-N 288.377 2.903 0 1 CFAF CCC(NC(=O)OCCOC)(C(F)(F)F)C(F)(F)F 3189045 ICEGBUXIMGYLFY-UHFFFAOYSA-N 297.195 2.632 0 1 CFAF biogenic O=C1NC(=O)[C@@H](c2ccccc2)C[C@@H]1c1ccccc1 73198573 GVWPXFWNBAQNGU-HUUCEWRRSA-N 265.312 2.601 0 1 CFAF Clc1ncc(Cn2ccnc2)cc1Br 84633483 QHUNWISICRWPTM-UHFFFAOYSA-N 272.533 2.742 0 1 CFAF CCC(=O)Nc1nc2cccc(-c3ccc(OC)cc3)n2n1 146283504 QPJSGVYDUHRFQB-UHFFFAOYSA-N 296.330 2.753 0 1 CFAF CCN(CC)C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587388108 WKACVZZPCDBQGX-MRXNPFEDSA-N 276.380 2.643 0 1 CFAF Nc1cc2nc(-c3csc4c3CCOC4)[nH]c2cc1N 587032153 PTZUZQSVCGQDEA-UHFFFAOYSA-N 286.360 2.529 0 1 CFAF C[C@H](Oc1ccc(F)cc1)c1nc2cnncc2[nH]1 587169559 ZIKBYURHDLELDK-QMMMGPOBSA-N 258.256 2.632 0 1 CFAF CCNC(=O)CCc1nc2ccc(C(F)(F)F)cc2[nH]1 587229784 DAPNWIXAHJFHMZ-UHFFFAOYSA-N 285.269 2.650 0 1 CFAF O=C(/C=C\c1nc2ccc(CO)cc2[nH]1)Nc1ccccc1 587244569 PPROSTBWQYGNBG-HJWRWDBZSA-N 293.326 2.707 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccccn1)[C@@H](C2)C3=O 587436267 PCJOPXNIGSXODJ-MEDUHNTESA-N 267.284 2.579 0 1 CFAF O=c1ccc2cc([C@H]3NCCc4ccc(O)cc43)ccc2o1 963353749 SHCJDCBNFMALHT-GOSISDBHSA-N 293.322 2.734 0 1 CFAF N=c1oc2c(O)cccc2cc1C(=O)Nc1ccccc1 166485803 PUSMWNKQUMYHMM-UHFFFAOYSA-N 280.283 2.870 0 1 CFAF O=C(/C=C\C=C/c1ccc2c(c1)OCO2)N1CCCC1 13537525 GQIJYUMTOUBHSH-IOBHVTPZSA-N 271.316 2.607 0 1 CFAF CC(C)(C)[C@H]1CO[C@]2(c3ccccc3)[C@@H]3C[C@@H]3C(=O)N12 5811304 KJJCIIDTTZABRV-ZOMKSWQUSA-N 271.360 2.763 0 1 CFAF O=C(CCCCCCC(=O)OCCO)Nc1ccccc1 13587778 AZWKCFRMYAQYFN-UHFFFAOYSA-N 293.363 2.501 0 1 CFAF O=c1cc(N2CCOCC2)oc2ccc(-c3ccco3)cc12 13677093 PIEHCVMZDWNUOJ-UHFFFAOYSA-N 297.310 2.890 0 1 CFAF c1ccc(Cc2nsc([C@H]3CN4CCC3CC4)n2)cc1 13885781 ATNZDXSEUIGJCM-AWEZNQCLSA-N 285.416 2.938 0 1 CFAF C[S@](=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1 13977529 RAECDKKKKNJXTF-OAQYLSRUSA-N 298.363 2.892 0 1 CFAF O=C(NCc1ccc(Cl)cc1)[C@H]1COc2ncccc21 205620571 FMOPHLXDWYWPJV-ZDUSSCGKSA-N 288.734 2.527 0 1 CFAF COc1ccc2[nH]c(C(=O)c3cccc(N)c3)cc2c1 13470996 UKQFBYIBNKFTPC-UHFFFAOYSA-N 266.300 2.990 0 1 CFAF C[C@@H]1[C@@H](O)CCC(C)(C)[C@@]12CC=C(C(=O)O)CC2 2356462914 ITRPDIHLZQSHRU-IFUGULHKSA-N 252.354 2.985 0 1 CFAF CC(=O)O[C@@H]1CC(C)=C2CC=C(C)[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@H]21 2356471456 XNQSEZFWFNDBST-DMHMKPBJSA-N 290.359 2.782 0 1 CFAF C[C@H]1Cn2c(=O)oc3cccc(c32)CN1CC1CCC1 6495360 IGTNXQATEXGGFF-NSHDSACASA-N 272.348 2.599 0 1 CFAF CO[C@H](c1c[nH]cn1)c1cscc1Br 27988287 DIJUNOIRAPJYNT-VIFPVBQESA-N 273.155 2.970 0 1 CFAF COC(=O)/C=C/[C@@H]1[C@@H](c2ccccc2)C[C@H]2CC[C@H]1N2C 100734580 OMLSVYSQLRWXNO-KQIVECKPSA-N 285.387 2.982 0 1 CFAF COC(=O)c1sc2cc(-c3ccccc3N)cnc2c1N 66259314 RURIHABBHCMYSX-UHFFFAOYSA-N 299.355 2.914 0 1 CFAF CNc1ncnc2c1ccn2Cc1ccccc1F 27213242 ANPVLACJFFOBGV-UHFFFAOYSA-N 256.284 2.660 0 1 CFAF COc1cc(C(=O)O)nc(-c2ccsc2)c1OC 26253343 RIQVWSUENMZDRB-UHFFFAOYSA-N 265.290 2.526 0 1 CFAF Cc1nn(C)c2c1C(c1ccccc1)=N[C@H](C)[C@@H](C)N2 28105566 XDCIGINZGLLDIJ-GHMZBOCLSA-N 268.364 2.768 0 1 CFAF CCCCN1CCO[C@@H]2c3cc(O)ccc3CC[C@H]21 29392423 DYJSJSUPQLMOTK-HZPDHXFCSA-N 261.365 2.880 0 1 CFAF O=CN1CCN(CC(c2ccccc2)c2ccccc2)CC1 71928261 NJUYZFRAXNTPHL-UHFFFAOYSA-N 294.398 2.593 0 1 CFAF COc1cncc(-c2cc3c4c(c2)CCN4C(=O)CC3)c1 71319101 OREFUQOCEGBKKP-UHFFFAOYSA-N 280.327 2.593 0 1 CFAF CC(C)Oc1cc2nc(C(=O)O)cn2c2ccccc12 40465893 BEFCBBTTYAHWMC-UHFFFAOYSA-N 270.288 2.973 0 1 CFAF COc1ccc(C(=O)O)c(Nc2cccc(C(=O)O)c2)c1 84652706 KZVUSRBUDSSXLX-UHFFFAOYSA-N 287.271 2.835 0 1 CFAF C[C@H](Nc1nccc(N2CCOC2=O)n1)c1ccccc1 142142887 VRCPPSXFONHTQP-NSHDSACASA-N 284.319 2.606 0 1 CFAF c1cc(C2CC2)nc(Nc2ccc([C@@H]3CNCCO3)cc2)n1 149991684 CQHVTHQPTFJYEM-INIZCTEOSA-N 296.374 2.759 0 1 CFAF CC(=O)Oc1ccc2nc(-c3cscn3)[nH]c2c1 473136107 XGSOKRUZKCOXCE-UHFFFAOYSA-N 259.290 2.612 0 1 CFAF O=c1c2ccccc2[nH]n1CCCc1ccccc1 138045856 ZTUNGCGUHQENHO-UHFFFAOYSA-N 252.317 2.962 0 1 CFAF CC(C)[C@@H](c1nc2cc(F)cc(C(=O)O)c2[nH]1)N(C)C 587199121 VQKTVXZIQOSSMT-LBPRGKRZSA-N 279.315 2.659 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C)no1)[C@@H](C2)C3=O 587435481 FVOLOWPDXFOOSI-MEDUHNTESA-N 285.299 2.654 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccncc1C)O2 587394919 LNERELZRJOKWGZ-OAHLLOKOSA-N 268.316 2.987 0 1 CFAF Cc1cnn(-c2c(C)[nH]c3c(C(=O)O)cccc23)c1 587639299 QSQKBCHELRBEQW-UHFFFAOYSA-N 255.277 2.669 0 1 CFAF CN(C)c1ccc2c(c1)Oc1ncccc1C(=O)N2C 5851616 HUESBOPSZSWDRA-UHFFFAOYSA-N 269.304 2.530 0 1 CFAF CCCCNC1=NCCCN1OCc1ccccc1 13539106 DJVHUNWQBPWVSA-UHFFFAOYSA-N 261.369 2.570 0 1 CFAF CC1=CC2=NC[C@H](C(=O)c3ccc(F)cc3)CN2C=C1 13977865 JFZWLLLDKUNOJK-ZDUSSCGKSA-N 270.307 2.812 0 1 CFAF CC1=N[C@@]2(CCCc3ccc(Br)cc32)N=C1N 169708662 QNHHDQXBRHSEHK-ZDUSSCGKSA-N 292.180 2.770 0 1 CFAF CCO[C@H]1CCc2oc3cc(C)cc(O)c3c(=O)c21 205377482 MAEWUBAZNLCIAE-JTQLQIEISA-N 260.289 2.831 0 1 CFAF CC(/C=C\C(N)=O)=C/[C@H](C)C(=O)c1ccc(N(C)C)cc1 207736111 PCIMEOIYJHGTNG-NPQXEGLISA-N 286.375 2.559 0 1 CFAF c1ccc(OCCNC[C@@H]2COC3(CCCCC3)O2)cc1 13517542 QOHCMEXFTPJIRF-MRXNPFEDSA-N 291.391 2.731 0 1 CFAF c1ccc(C[C@@H]2CNCCN2c2cnc3[nH]ccc3c2)cc1 53295146 YXKXFXIRENCHSD-MRXNPFEDSA-N 292.386 2.584 0 1 CFAF CCCCCC[C@H]([C@@H](C)O)n1cnc(C(=O)OCC)c1N 28219143 CFAYCGHJRJDIKW-VXGBXAGGSA-N 297.399 2.534 0 1 CFAF CN(C)Cc1cc2c(N)nc(-c3ccco3)nc2s1 118590516 YMWQVYNWUGXUMK-UHFFFAOYSA-N 274.349 2.595 0 1 CFAF Cc1cccc(-c2nnc3c([n+]2[O-])C(C)(C)OC3(C)C)c1 27553740 YNZYTNMZMKXRHO-UHFFFAOYSA-N 285.347 2.586 0 1 CFAF CC(=O)Nc1nc(-c2ccco2)cc(-c2ccco2)n1 66102412 WJRXONJBCVQLJQ-UHFFFAOYSA-N 269.260 2.955 0 1 CFAF O=C1NC(=O)/C(=C/c2ccc(-c3ccccn3)o2)S1 35962301 URQJIVCOWCHMCI-XFFZJAGNSA-N 272.285 2.666 0 1 CFAF CC(C)Oc1ccc2c(c1)O[C@@H]([C@@H]1CCCN1C)CO2 73196860 YMKSAMPNMKRBTL-XJKSGUPXSA-N 277.364 2.708 0 1 CFAF Cc1ccc2c(c1)[C@]1(C(=O)N2)N(C)CC[C@]12CCCCC2=O 49072750 ZROPSJKVIJAQKU-ZWKOTPCHSA-N 298.386 2.607 0 1 CFAF COc1cc([C@@H](CC(C)=O)c2cccnc2)ccc1O 40848447 VWOZTIOVCDOHKM-CQSZACIVSA-N 271.316 2.907 0 1 CFAF CC(C)(C)c1cc(NC(=O)[C@@H]2CCCN2CC2CC2)no1 147447343 FZKIXPJXKHWLAY-LBPRGKRZSA-N 291.395 2.785 0 1 CFAF Cn1ccc2cc(-c3nc4ccc(F)nc4o3)ncc21 95560131 WMYQRIRDPGMTSM-UHFFFAOYSA-N 268.251 2.916 0 1 CFAF COC(=O)N1C(=O)C=CC[C@@H]1/C=C/c1ccccc1 299832441 GMQNDDGYXVQQGY-OCHBPSSRSA-N 257.289 2.623 0 1 CFAF CC[C@@H](C)NC(=O)c1nc(-c2ccc(C)cc2)cnc1N 473101878 KXZIBNHZCPVDRL-LLVKDONJSA-N 284.363 2.563 0 1 CFAF COc1cc2nc(/C=C\c3ccc(N)cc3)[nH]c2cn1 587252469 WPUSBKACEYOWMT-DAXSKMNVSA-N 266.304 2.719 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1ccc(F)nc1)[C@@H](C2)C3=O 587429358 ULHPVYVUAZPOTF-YVEFUNNKSA-N 299.301 2.892 0 1 CFAF Cc1ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc2n1 587123486 KCUABWREOVOMKZ-UHFFFAOYSA-N 290.273 2.972 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(CCO)cc1)O2 587403619 JPFSLYBXIWIXEH-KRWDZBQOSA-N 297.354 2.819 0 1 CFAF C[C@H](Cc1nc2ccc(Br)c(O)c2[nH]1)N(C)C 587192115 RHKLQKLPHJQRBT-SSDOTTSWSA-N 298.184 2.524 0 1 CFAF O=C1c2cc(F)ccc2NC2=C(Br)CCN12 957650946 ZVXLFMAKNIYMGY-UHFFFAOYSA-N 283.100 2.661 0 1 CFAF CC(=O)O[C@H](/C=C(\C)CC/C=C(\C)CO)C/C(C)=C/CO 15214069 YVXXFTKPCWYGHH-CYFAXRFGSA-N 296.407 2.912 0 1 CFAF CC1=CCC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 253664846 GSVWPONNFJXHJL-MJDBTJCESA-N 250.338 2.842 0 1 CFAF CN(CCc1cccc(Cl)c1)CCN1CCCC1 22778717 QVJINWATNLFUKY-UHFFFAOYSA-N 266.816 2.910 0 1 CFAF O=C1CCc2cc(C(=O)c3ccccc3)ccc2O1 26003429 OGUBWEHEAMHDKW-UHFFFAOYSA-N 252.269 2.769 0 1 CFAF CN1CC[C@]23CCCC[C@@H]2[C@@H]1Cc1ccc(N)cc13 100642677 CYPHSPITDGFDMD-HYVNUMGLSA-N 256.393 2.957 0 1 CFAF Cc1c(C(C)C)c(=O)on1C(=O)N1[C@@H](C)CC[C@H]1C 26937286 HILDJZYHTSGOHC-AOOOYVTPSA-N 266.341 2.714 0 1 CFAF O=C1[C@@H]([C@@H](O)c2ccccn2)CCCN1Cc1ccccc1 103295730 PAAXSNLDEXOHBR-NVXWUHKLSA-N 296.370 2.554 0 1 CFAF COc1ccc2c(c1)[C@]13CCN(C)[C@@H](C2)[C@@H]1[C@@H](C)CC(=O)C3 100801961 FVZCKWRBLLZDHV-OZOSWLFCSA-N 299.414 2.808 0 1 CFAF CN1[C@H]2CC[C@H]1CC(OC(=O)N1CCc3ccccc31)C2 100808229 HRDDTYIXDSCKMA-KBPBESRZSA-N 286.375 2.811 0 1 CFAF CSc1ccccc1-c1cnc(NC(C)=O)cn1 61908481 RYQOLFJJPZYHMF-UHFFFAOYSA-N 259.334 2.824 0 3 CFAF COC1=CC(=O)OC1=C(C=Cc1ccccc1)OC 2356594859 KCEXIHRAFXNPSN-UHFFFAOYSA-N 258.273 2.645 0 1 CFAF Clc1cccc(-n2cc(-c3ccncc3)nn2)c1 73220517 FNEPZGYORBGUCH-UHFFFAOYSA-N 256.696 2.983 0 1 CFAF CCCC(=O)c1ccc(OC)c(O[C@H]2CCOC2)c1 40847856 JCXIGXAORCJRAX-LBPRGKRZSA-N 264.321 2.846 0 1 CFAF O=C1N(CC2CCNCC2)CCN1c1cccc(Cl)c1 49054328 GBXGGFJVHZPNGD-UHFFFAOYSA-N 293.798 2.582 0 1 CFAF Oc1ccc2c(c1)[C@@]13CCCO[C@@H]1[C@@H](C2)N(CC1CC1)CC3 148360672 ADYLOCPOIUQADS-QRVBRYPASA-N 299.414 2.849 0 1 CFAF COC(=O)Cn1nc(-c2ccc(OC)cc2)c2ccccc21 95771552 AFSKKSFZYHNCRA-UHFFFAOYSA-N 296.326 2.885 0 1 CFAF CC12C[C@@H]3C[C@H](C1)CC(NC(=O)N1CCCCC1)(C3)O2 473086066 GRLCJTDMEICULY-YPXDRJKUSA-N 278.396 2.877 0 1 CFAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cncc(Cl)c2[nH]1 587963819 TZFGFCXBLTUADK-YUMQZZPRSA-N 263.728 2.769 0 1 CFAF Cc1nccc2[nH]c(CCOc3ccc(C=O)cc3)nc12 587566864 ZGSBRNKQLOHLEM-UHFFFAOYSA-N 281.315 2.700 0 1 CFAF N=c1cc(-c2nc3ccc(O)cc3[nH]2)c2ccccc2[nH]1 587254411 SQVZGRDVAQYNHO-UHFFFAOYSA-N 276.299 2.896 0 1 CFAF Nc1ccnc2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3)nc12 587161092 JTUABJYZYREMCV-WDEREUQCSA-N 268.295 2.950 0 1 CFAF Cc1nc(C2CC2)sc1-c1nc2ccnc(O)c2[nH]1 587013191 YRBUYLBVWSLEKU-UHFFFAOYSA-N 272.333 2.973 0 1 CFAF Cc1ccc2nc(-c3nc(Cl)cnc3N)[nH]c2c1C 587086404 IWTBJUOARZUMIO-UHFFFAOYSA-N 273.727 2.872 0 1 CFAF N[C@@H](c1ccsc1)c1nc2ccc(Cl)nc2[nH]1 587025570 OOKDSGMPVCVXNQ-VIFPVBQESA-N 264.741 2.721 0 1 CFAF C[C@H]1C(=O)CC[C@H]1Cc1nc2c(F)cnc(Cl)c2[nH]1 587961480 GDZBSFOHFXCABN-RQJHMYQMSA-N 281.718 2.908 0 1 CFAF COc1cc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2cn1 587089690 GFQCHRLUBJFJHB-QMMMGPOBSA-N 283.612 2.890 0 1 CFAF CN(C)C[C@@H](O)[C@H](c1ccccc1)c1cccs1 169314846 BPKWHOZTMDXXBA-HIFRSBDPSA-N 261.390 2.803 0 1 CFAF CCCCc1ccc2ncc(-c3nn[nH]n3)cc2c1 169332878 XHPOQJLDCSAJST-UHFFFAOYSA-N 253.309 2.758 0 1 CFAF COc1ccccc1-c1cc(=O)c2cccnc2[nH]1 5503313 DUQKMZGCYQDTGO-UHFFFAOYSA-N 252.273 2.599 0 1 CFAF COc1ccc2c(c1)C(CCNC(=O)C(F)(F)F)=CC2 13491251 ZSUVDVPCJKMWER-UHFFFAOYSA-N 285.265 2.703 0 1 CFAF CON1C(=O)C2(CCCCC2)C(=O)[C@@]12C=C[C@@H](C)CC2 1628817 BUFHUBGYZDDJBC-WBMJQRKESA-N 277.364 2.635 0 1 CFAF CN1CCC(OC(=O)c2ccccc2C(F)(F)F)CC1 29322112 ZYGGLQVLFMMARX-UHFFFAOYSA-N 287.281 2.956 0 1 CFAF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cccs1 101966135 ORKADUSJDCLKCH-NIANNCQZSA-N 290.348 2.841 0 1 CFAF CC[C@H](C)C(=O)C(=O)N[C@@H](C)Cc1c[nH]c2ccccc12 26179772 WKNHEWXETZJFSW-RYUDHWBXSA-N 286.375 2.830 0 1 CFAF CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccc2c(c1)OCO2 66073639 DLCKIBKKDKUAQM-ZDUSSCGKSA-N 298.298 2.706 0 1 CFAF Cc1cccnc1CNC(=O)[C@]1(C)CCCN1CC(C)C 61929724 IVSKJEYVBNTKFA-KRWDZBQOSA-N 289.423 2.517 0 3 CFAF CC(C)=CCCC(C)=CCN[C@@H](CCC(=O)O)C(=O)O 2356803055 WRAUYKHQSOIVEN-ZDUSSCGKSA-N 283.368 2.587 0 1 CFAF COc1oc(CCCC[C@H](C)CO)c(C)c(=O)c1C 2356807828 YETXUNSDVMYLEI-JTQLQIEISA-N 268.353 2.606 0 1 CFAF Fc1ccccc1Oc1cc(NC[C@@H]2CCCO2)ncn1 82067851 QJSOAOUUNPNWAE-NSHDSACASA-N 289.310 2.999 0 1 CFAF OCCCc1cncn1Cc1ccc(Cl)cc1 45357043 OFJNDBDGVKNLNM-UHFFFAOYSA-N 250.729 2.510 0 1 CFAF CCOC(=O)[C@@H](C)C(=O)c1nccc2ccccc12 84670071 VOAJPDKSDVEQBX-JTQLQIEISA-N 257.289 2.617 0 1 CFAF CCO[C@@]12C[C@@H]3C=C(C)[C@H](O)C[C@@H]3C(C)(C)C1=CC(=O)O2 85768325 DOLZUTGMLHUBAW-APNQJHFZSA-N 292.375 2.576 0 1 CFAF Cc1nn(-c2ccc(Cl)c(Cl)c2)cc1-c1nnn[nH]1 96938404 JTJXDLDPMDYVOB-UHFFFAOYSA-N 295.133 2.668 0 1 CFAF CCCc1c(O)ccc2c1O[C@H]([C@H](C)COC)CC2=O 587479472 ISCZESGGQBMCKQ-BMIGLBTASA-N 278.348 2.961 0 1 CFAF COc1cc2c3c(c1)O[C@H](CSC(C)C)[C@@H](C2)C3=O 587448476 JOWUIVCWLAOLTI-DGCLKSJQSA-N 278.373 2.953 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cn1cc(C)cn1)O2 587392674 VHOGNNPYIFYDKL-MRXNPFEDSA-N 285.347 2.506 0 1 CFAF Oc1nc(O)c2cc(Cc3cccc(Cl)c3)cnc2n1 587368470 KQKCDACZJVACBH-UHFFFAOYSA-N 287.706 2.680 0 1 CFAF c1ccc2oc(CCc3nc4cnncc4[nH]3)cc2c1 586908515 RQHSZEHVRPGEKI-UHFFFAOYSA-N 264.288 2.884 0 1 CFAF N[C@H](Cc1cscn1)c1nc2cnc3ccccc3c2[nH]1 587029245 LQSZBGQIACQZOK-LLVKDONJSA-N 295.371 2.810 0 1 CFAF OCc1ccc(F)c(-c2nc3ccc(O)cc3[nH]2)c1 587140814 RKGCIMFKTPJLEN-UHFFFAOYSA-N 258.252 2.567 0 1 CFAF Cc1nccc2[nH]c([C@@H]3C[C@H](O)c4ccccc43)nc12 586900988 FUMVGRKCEJJFBI-OCCSQVGLSA-N 265.316 2.835 0 1 CFAF COc1ccc(C)cc1-c1nc2nc(O)nc(O)c2cc1C 587560266 ZZKPWRJODOZIRW-UHFFFAOYSA-N 297.314 2.728 0 1 CFAF C/C(=C\c1ccc2c(O)nc(O)nc2n1)Nc1ccccc1 587552808 CPNKJVQNFYIBNM-MDZDMXLPSA-N 294.314 2.909 0 1 CFAF COc1cc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2cn1 586881659 YBIPUIWJYJIZQG-SREVYHEPSA-N 295.298 2.835 0 1 CFAF Cc1ccnc2[nH]c(-c3cc(CO)ccc3F)nc12 587139960 BPHHDWOMAGSZTO-UHFFFAOYSA-N 257.268 2.565 0 1 CFAF CCO[C@H]1CCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587403226 LEPQQLWDQLXBIE-HOCLYGCPSA-N 275.348 2.870 0 1 CFAF CCSC[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587410042 PNCSATUDKFEMRB-VIFPVBQESA-N 251.351 2.664 0 1 CFAF CC[C@@H]1OCCC[C@@H]1c1nc2ccc([C@@H](N)N=O)cc2[nH]1 586907571 BCNFTLNQHPUUIT-BPNCWPANSA-N 288.351 2.959 0 1 CFAF Nc1cc2nc(-c3ccoc3C3CC3)[nH]c2cc1N 586900887 GDQZJDYBJZHHEL-UHFFFAOYSA-N 254.293 2.865 0 1 CFAF COc1cccc(CCc2nc3ccc(C(=N)N)cc3[nH]2)c1 587929943 ATDWADVOBUZBLR-UHFFFAOYSA-N 294.358 2.641 0 1 CFAF COc1cc(-c2ccccc2C(F)(F)F)nn1CCO 587862906 KYJMNZAZHZDMJR-UHFFFAOYSA-N 286.253 2.570 0 1 CFAF N=c1cc2nc(CNc3ccccc3Cl)[nH]c2c[nH]1 587062875 XQDFGHHEYOCNKI-UHFFFAOYSA-N 273.727 2.636 0 1 CFAF CC[C@]1(C)C[C@@H]1c1nc2cc(C(=O)OC)ncc2[nH]1 586892677 VKYIYOMFFYUDRN-XLKFXECMSA-N 259.309 2.648 0 1 CFAF CO[C@]1(C)C[C@@]2(NCCc3ccc(O)cc32)C1(C)C 963329670 QOCDOFGFMVMTPO-CVEARBPZSA-N 261.365 2.568 0 1 CFAF C[C@@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 13153778 SZNBRPRZLSIWNS-HRAULNOCSA-N 293.366 2.801 0 1 CFAF Cc1cc(N2C[C@@]3(CN4CCC3CC4)OC2=O)sc1C 13642531 AUORIRZUALZQIY-OAHLLOKOSA-N 292.404 2.786 0 1 CFAF Cn1nc(NC(=O)c2ccco2)c2cc3ccccc3nc21 169305185 DHRZQNFKNRXCHC-UHFFFAOYSA-N 292.298 2.967 0 3 CFAF CC(=O)[C@H](C)CCCCc1cc(O)c(C)c(=O)o1 103291452 GOCJYVVHNMQAMK-SECBINFHSA-N 252.310 2.592 0 1 CFAF CCN1CC(=O)N(c2ccccc2C(F)(F)F)C1=S 27749984 ZXTGNZWICUCSCN-UHFFFAOYSA-N 288.294 2.659 0 1 CFAF COc1ccc([C@@H]2CCC(=O)N2)cc1OC1CCCC1 27552567 YMBCMWAFWNXALP-ZDUSSCGKSA-N 275.348 2.968 0 1 CFAF Cn1cc[n+](COC(=O)[C@@H](c2ccccc2)C2CCCC2)c1 27546489 KFRONXJDFUNIJM-KRWDZBQOSA-N 299.394 2.787 0 1 CFAF CNC[C@@H]1CCCC[C@@]1(OC)c1cccc(OC)c1 29128679 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COc1cc2c3c(c1)O[C@](C)(c1ccncc1)[C@@H](C2)C3=O 587436330 NYQFJPSPLJOBLS-SUMWQHHRSA-N 281.311 2.753 0 1 CFAF CCOC(=O)C[C@H](C(C)=O)c1cc2c3c(cccc3n1)CC2 587212263 RJZFLTOKFAHDAT-CQSZACIVSA-N 297.354 2.959 0 1 CFAF CC[C@H](C)[C@@H]1CCc2nc3nc(O)nc(O)c3cc21 587561229 FWQFTEOHVNNXOQ-YUMQZZPRSA-N 259.309 2.512 0 1 CFAF NC1CC(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)C1 587255645 UQGJCVVXRCGUDQ-UHFFFAOYSA-N 285.269 2.741 0 1 CFAF CCN1CC[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@H]1C 587397294 ZKCODWDSRSXBJV-SJKOYZFVSA-N 288.391 2.785 0 1 CFAF N=c1[nH]ccc2nc(COC/C=C/c3ccccc3)[nH]c12 587781394 UUPXRIUQFOHCIM-QPJJXVBHSA-N 280.331 2.600 0 1 CFAF COc1cc(-c2cc3cccc(O)c3c(=O)o2)ccc1O 1772632640 VKWQFYARKVZRBW-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF CCCN(CCC)[C@@H]1CCn2ncc(Cl)c2C1 13672667 SHBKBFYVWDZZMP-LLVKDONJSA-N 255.793 2.973 0 1 CFAF O=C1N=C(N2CCCC2)CN1c1ccc(Cl)cc1 13683748 XEFMEIXOAACSGR-UHFFFAOYSA-N 263.728 2.774 0 1 CFAF Cc1[nH]cnc1CN1CCN(c2ccccc2Cl)C1=O 13765786 COCSGIYJVDNAQH-UHFFFAOYSA-N 290.754 2.814 0 1 CFAF CC1(C)C=C(N2CCCC2=O)c2ccccc2C1=O 13832158 XMPMQIBVGQTSMB-UHFFFAOYSA-N 255.317 2.872 0 1 CFAF OC12C[C@H]3CC(C[C@@H](C3)C1)N2CCc1cccc(F)c1 169295888 PQOYWDUBENTMOM-QBBMROGASA-N 275.367 2.951 0 1 CFAF O=C1NCCc2nc(OCc3ccccc3Cl)ccc21 169329923 YVBNGBNWBTXXKP-UHFFFAOYSA-N 288.734 2.600 0 1 CFAF CCOC(=O)[C@]1(CCCc2cccc(Cl)c2)CO1 40632470 WHJDDJRYKKHYQG-AWEZNQCLSA-N 268.740 2.995 0 1 CFAF CN(C)c1ccc(N2CCC(Cc3cnc[nH]3)CC2)cc1 53276670 YWMMIIKWHSZHTN-UHFFFAOYSA-N 284.407 2.935 0 1 CFAF CC(=O)[C@H]1[C@H](C(C)=O)C[C@H](O)C2=CCC[C@H](C)[C@@]21C 2356467518 ULYNRVYLRQWJPH-HGNWDWQISA-N 264.365 2.524 0 1 CFAF CC(=O)O[C@@H]1CC(C)=C2CC=C(C)[C@@H]2[C@@H]2OC(=O)[C@@H](C)[C@H]21 2356471460 XNQSEZFWFNDBST-MNNDFKHZSA-N 290.359 2.782 0 1 CFAF COc1cc2c3c(c1OC)-c1ccccc1C[C@@H]3NC2=O 2356571352 OWHIYNVJYMRDOV-LBPRGKRZSA-N 281.311 2.711 0 1 CFAF CO[C@H]1c2c(C)c(CCO)c(C)c(O)c2CC1(C)C 2356588292 OCWNKEZMOMOVTR-HNNXBMFYSA-N 264.365 2.814 0 1 CFAF CCN(C)C[C@H](C(=O)Nc1c(C)cccc1C)N(C)CC 26001837 JHHQNFSBAJYOSB-OAHLLOKOSA-N 291.439 2.514 0 1 CFAF CNC(=O)c1cc(-c2ccc(Cl)cc2)c(CN)c(C)n1 66128760 OJJRHYXVBJPKPY-UHFFFAOYSA-N 289.766 2.529 0 1 CFAF Cc1cc(CC[C@H]2CC[C@H](CCN)O2)ccc1F 38264415 TUZLHPUVXHTPCQ-UONOGXRCSA-N 251.345 2.963 0 1 CFAF [O-][n+]1c2ccccc2c2n1CCN=C2c1ccc(Cl)cc1 36383494 HHLLLTGIMABXJQ-UHFFFAOYSA-N 297.745 2.779 0 3 CFAF CO[C@H]1C=CCC[C@@H]1Nc1ccc(Br)cn1 73168964 IMEJAIAJJIOSIE-QWRGUYRKSA-N 283.169 2.990 0 1 CFAF C[C@@H]1CC[C@@H]2CC3=C(C(=O)O)[C@@H](O)C[C@@]31C2(C)C 85549114 OYBOOQVHULBBQW-VKQTUNLWSA-N 250.338 2.595 0 1 CFAF biogenic,in-vitro CCCCNc1nc(N2C[C@H](C)O[C@H](C)C2)ncc1C 82202924 MNULHYZDELNFGF-BETUJISGSA-N 278.400 2.611 0 1 CFAF Fc1ccc(Oc2nc3ccsc3c3nnnn23)cc1 84689021 OAYPLSBOBBURSV-UHFFFAOYSA-N 287.279 2.665 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cc(O)ccc1O)[C@@H](C2)C3=O 587449941 KMWSZAVDAGGOIP-SJCJKPOMSA-N 298.294 2.595 0 1 CFAF CC[C@@H]1CC[C@@H](C)c2cc3c(O)nc(O)nc3nc21 587561814 MFJCIKFXPGGSAR-HTQZYQBOSA-N 259.309 2.827 0 1 CFAF Cc1ccc(SCc2nc3cnnc(O)c3[nH]2)c(C)c1 586965439 WTVGSECVALQCKA-UHFFFAOYSA-N 286.360 2.968 0 1 CFAF Nc1cc(C(=O)O)cc(-c2nc3cc(F)c(F)cc3[nH]2)c1 587248718 CINATVCFTZSGPR-UHFFFAOYSA-N 289.241 2.789 0 1 CFAF COc1ccc2nc(-c3nc4c[nH]c(=N)cc4[nH]3)sc2c1 587034476 GNMTUKCLTNFUJF-UHFFFAOYSA-N 297.343 2.656 0 1 CFAF COC(=O)c1ccc2nc(-c3ccoc3C3CC3)[nH]c2n1 586901085 ISOVQLCQVYWVGB-UHFFFAOYSA-N 283.287 2.882 0 1 CFAF C[C@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)N(C)C 587190354 HNUBEPPPEGFAAN-LLVKDONJSA-N 257.381 2.934 0 1 CFAF CCOC(=O)[C@H](C)[C@@H]1NCCc2cc(C)c(F)cc21 962143026 HQOGFLUAFLCIPV-YGRLFVJLSA-N 265.328 2.520 0 1 CFAF Cn1c(-n2c(O)nc3ccccc32)nc2ccccc21 1772623020 RHBAMWBOBHNOBL-UHFFFAOYSA-N 264.288 2.618 0 1 CFAF CC(=O)[C@@H]1C(C)=Nc2ncnn2[C@H]1c1ccc(Cl)cc1 169687148 ZVEDMXPXXJJTCR-STQMWFEESA-N 288.738 2.832 0 1 CFAF Oc1ncnc2ccc(-c3c[nH]nc3C3CC3)cc12 1857769133 DINOVQFWISPQAG-UHFFFAOYSA-N 252.277 2.603 0 1 CFAF c1ccc(OCCNC[C@@H]2CO[C@@H](c3ccccc3)O2)cc1 13517539 SBYUKHBAZJUFBU-QZTJIDSGSA-N 299.370 2.769 0 1 CFAF CN1C(=O)c2cccnc2N(CCF)c2ccccc21 13201 CYQOCCBFPKGCKI-UHFFFAOYSA-N 271.295 2.779 0 1 CFAF CC(C)NC(=O)c1c(-c2ccc(F)cc2)noc1[C@@H](C)O 2356352451 UAWBNFWJINZXBH-SECBINFHSA-N 292.310 2.672 0 1 CFAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)CC[C@]34C)[C@H]1CC[C@@H]2O 29404378 SXIPXKUAHBNRLJ-NVIFIOQXSA-N 291.435 2.869 0 1 CFAF O=Cc1onc2c1CCO[C@H]2c1ccccc1Cl 103187055 UHNIAFMIXGZCGR-ZDUSSCGKSA-N 263.680 2.803 0 1 CFAF O=c1[nH]c(OCCCCc2ccccc2)nc2ncccc12 58592667 LREPSQRDLFOADM-UHFFFAOYSA-N 295.342 2.720 0 1 CFAF CC(C)(O)[C@@H]1CC[C@]2(C)CCC[C@@](C)(NC=O)[C@H]2C1 2356447768 CSMSTHRRSQLQQJ-BFJAYTPKSA-N 267.413 2.869 0 1 CFAF Cc1nc2c(NC[C@H](C)N(C)c3ccccc3)ncnc2o1 63885128 LVSRSLHFEMUJPC-NSHDSACASA-N 297.362 2.863 0 1 CFAF COc1cc(O)cc2c1C(=Cc1ccc(O)cc1)C(=O)O2 2356517731 RVZXSEMJMMVLJJ-UHFFFAOYSA-N 284.267 2.566 0 1 CFAF CC(=O)Oc1ccc2[nH]c3c(c2c1)CCN(C(C)=O)[C@H]3C 2356726903 AECPKSLIEAABJQ-VIFPVBQESA-N 286.331 2.559 0 1 CFAF CO[C@H]1C=CCC[C@@H]1N(O)c1ccc(Br)cn1 73170215 JGGSJXFWJVKZKM-QWRGUYRKSA-N 299.168 2.773 0 1 CFAF CCCC(=O)N1Cc2ccccc2C[C@@]2(CCN(C)C2)C1 71992508 UIJMDNWHCKQIKR-GOSISDBHSA-N 286.419 2.693 0 1 CFAF CC1=NN(c2ccccc2)C(=O)[C@H]1c1ccccn1 84394938 NZHHZQIHWDNCQI-CQSZACIVSA-N 251.289 2.588 0 1 CFAF Cc1cnc(N2CCCC2)nc1NCCc1ccc(O)cc1 82212842 QSQMOYDCUHHAHJ-UHFFFAOYSA-N 298.390 2.745 0 1 CFAF O=c1[nH]ccc2c(NCCC3CCCCC3)ncnc12 96285228 ZVLZMVFWUJAKFT-UHFFFAOYSA-N 272.352 2.700 0 1 CFAF COc1cc(O)cc2c1[C@@H](c1oc(C)c(CO)c1C)OC2 238787285 MQZZMIANZWDRAS-INIZCTEOSA-N 290.315 2.723 0 1 CFAF O=C1C[C@@]2(CCNC[C@@H]2F)Oc2c1ccc1c2CCCC1 587508717 QHGVXJLSTZJGGH-DOTOQJQBSA-N 289.350 2.601 0 1 CFAF COc1ccc(CCCc2nc3cnncc3[nH]2)c(OC)c1 587928551 JRVLJHUQZJPFEE-UHFFFAOYSA-N 298.346 2.545 0 1 CFAF Brc1cnc2[nH]c(CCOCC3CC3)nc2c1 587783525 BWAXFFSOHJMLTJ-UHFFFAOYSA-N 296.168 2.690 0 1 CFAF CNc1cc(Cl)ccc1-c1nc2cc(=N)[nH]cc2[nH]1 587067061 ZSMYXLXDPCXKNY-UHFFFAOYSA-N 273.727 2.733 0 1 CFAF CC(C)(C)c1ccc2nc([C@H](N)C3COC3)[nH]c2c1 587255784 QYTJLFFBMTVDJK-CYBMUJFWSA-N 259.353 2.507 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccn(C(C)C)n1)[C@@H](C2)C3=O 587432748 RANXYAYIONYMMD-SJCJKPOMSA-N 298.342 2.961 0 1 CFAF COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cn1 587394501 WPWFGERQDNEQOL-QGZVFWFLSA-N 298.342 2.861 0 1 CFAF O=C(O)c1c(O)cc(O)cc1/C=C/c1ccccc1 13340525 NYRISADACLJHMJ-VOTSOKGWSA-N 256.257 2.966 0 1 CFAF Cc1ccc2c(c1)nc(N1CCN(C)CC1)c1cccn12 13801485 FBYTVJACOAVEGV-UHFFFAOYSA-N 280.375 2.548 0 1 CFAF O=C(C[C@@H](O)CC(=O)c1ccc(O)cc1)c1ccccc1 207291162 WMULQFCNTZZAKZ-OAHLLOKOSA-N 284.311 2.599 0 1 CFAF O=C(O)Cn1ccc(C(=O)c2cccc3ccccc23)c1 13493079 XTSGDCOXSBLBQX-UHFFFAOYSA-N 279.295 2.957 0 1 CFAF CC(=S)N[C@H](C(=O)NCc1ccccc1)c1ccco1 26671802 HRLBGTMDTQIMAV-AWEZNQCLSA-N 288.372 2.574 0 1 CFAF Cc1nccc2[nH]c(=O)c(C(=O)N[C@@H]3CCCC[C@H]3C)cc12 8584671 YPZXQFUWGAEUMU-QMTHXVAHSA-N 299.374 2.540 0 3 CFAF CN1CCN(c2cc3cc(F)ccc3n3cccc23)CC1 26652789 QDKGZMNFRRRHHF-UHFFFAOYSA-N 283.350 2.983 0 1 CFAF O=C(O)c1cc(-c2ccn(Cc3ccc(F)cc3)c2)[nH]n1 1911572465 PPQFEEMOKBWUGX-UHFFFAOYSA-N 285.278 2.764 0 1 CFAF O=C(Oc1ccccc1)c1ccc(CO[N+](=O)[O-])cc1 72170724 GNRDQTKRXAIZQS-UHFFFAOYSA-N 273.244 2.614 0 1 CFAF CNC(=O)[C@H](Oc1ccc2ccccc2c1)c1csnn1 40753224 HPMLTKURFXDLIZ-CQSZACIVSA-N 299.355 2.557 0 1 CFAF N=C(N)Nc1ccc(Sc2ccc(N)cc2)cc1 49033185 JZRUMRGORFVNAP-UHFFFAOYSA-N 258.350 2.725 0 1 CFAF CCCSc1nsnc1O[C@H]1CN2CCC[C@H]1C2 144282904 XZSKFNOPUAZERB-UWVGGRQHSA-N 285.438 2.513 0 1 CFAF COc1ccc(CN2CCCCC2)cc1OC(=O)N(C)C 299825818 CIHXFRDDFGQHHD-UHFFFAOYSA-N 292.379 2.742 0 1 CFAF COc1ccc(-c2nc3c(C(N)=O)cc(C)cc3[nH]2)cc1 474603560 CPZXREXDWDLORN-UHFFFAOYSA-N 281.315 2.646 0 1 CFAF Fc1ccccc1CCc1nc2cnc(Cl)[nH]c-2n1 587151519 ZVBIPOSAOLKMJR-UHFFFAOYSA-N 276.702 2.882 0 1 CFAF C[C@]1(CN=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569612 GVAKGUQCIGQURT-XJKSGUPXSA-N 299.282 2.879 0 1 CFAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccncc1 587651762 YQVQJRFMJGXPEA-UHFFFAOYSA-N 286.356 2.942 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)C[C@@H](C)[C@@H]1C 587404577 FZMTYWAAPILGOI-KCWFYHRYSA-N 273.332 2.526 0 1 CFAF CC[C@@H]1C[C@]2(CCO1)CC(=O)c1cc(C)cc(N)c1O2 587411405 IWCJYKLSEHKSEP-BDJLRTHQSA-N 275.348 2.870 0 1 CFAF CC(C)[C@@H]1C[C@]2(CCO1)NCCc1nc3ccccn3c12 962984293 CEJKHPJMKRLVGB-YOEHRIQHSA-N 285.391 2.510 0 1 CFAF CCCCc1cc(-c2ccc(OC)cc2)nc(=N)[nH]1 1857580587 NGUDUTAVPODMJD-UHFFFAOYSA-N 257.337 2.907 0 1 CFAF CCOc1ccc2c(NCCN(C)C)ccnc2c1 1857607879 TZADSRCJVZITIN-UHFFFAOYSA-N 259.353 2.607 0 1 CFAF C[C@H]1CCCC[C@H]1NC(=O)Cn1cc2c(n1)CCCCC2 5148773 ZMUAOXACVACFQF-DZGCQCFKSA-N 289.423 2.847 0 1 CFAF CCCOC(=O)[C@H]1CN(CC)CC=C1c1ccccc1 13782792 JVBYBBLRZZVCSO-INIZCTEOSA-N 273.376 2.975 0 1 CFAF Cc1c(O)cc2occ(-c3ccccc3O)c(=O)c2c1O 14815045 VLMKCIGUEJKYJB-UHFFFAOYSA-N 284.267 2.885 0 1 CFAF CCC(=O)O[C@@]1(c2ccccc2)C[C@H]2CC[C@H]1CN2C 169333064 KUHRCJUMJXYJMW-ZMSDIMECSA-N 273.376 2.949 0 1 CFAF Oc1ccc(-c2cc(-c3c(O)cc(O)cc3O)n[nH]2)cc1 1857756239 AIHFKHKIWKVVSW-UHFFFAOYSA-N 284.271 2.566 0 1 CFAF CCOC(=O)c1ccc(NC(=O)SCCC(=O)O)cc1 1620316 OGOHCOQFGDXLKD-UHFFFAOYSA-N 297.332 2.603 0 1 CFAF O=C1OC[C@H]2CCN(C3CCC3)Cc3ccc(F)cc3N12 2356317700 LUSZLRFYTACNGF-CQSZACIVSA-N 290.338 2.909 0 1 CFAF O=C(COC(=O)[C@H]1C[C@@H]2C=C[C@H]1C2)Nc1ccccc1F 3264671 GZMPFMLWRQFUSU-WOPDTQHZSA-N 289.306 2.520 0 1 CFAF O=[n+]1cc(-c2ccccc2)n(O)c2c1CCCCC2 103706430 VLZTYBYFYSRAIO-UHFFFAOYSA-N 257.313 2.576 0 3 CFAF c1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1 27554372 HZESCNHZDRDJQT-UHFFFAOYSA-N 292.386 2.885 0 1 CFAF CNC(=O)c1cnc(N)c2cc(-c3ccccc3)sc12 34220624 VKVXEWNGPFYOGR-UHFFFAOYSA-N 283.356 2.905 0 1 CFAF O=C1N=C(Nc2ccccc2)N/C1=C\c1ccccc1 38887717 PBNKEANYJCQEQI-KAMYIIQDSA-N 263.300 2.625 0 1 CFAF COc1ccc2nc(SC)c3c(C)nc(C)n3c2n1 49047962 WEEBUMPNLCNWGN-UHFFFAOYSA-N 274.349 2.625 0 1 CFAF O=C(c1ccc(O)cc1)c1ccc2nc(O)sc2c1 43070526 MAFMQKFAIBCNKB-UHFFFAOYSA-N 271.297 2.939 0 1 CFAF O=[N+]([O-])c1ccc(-c2cn(Cc3ccccc3)nn2)cc1 81469707 LONVYSMDTHJUCQ-UHFFFAOYSA-N 280.287 2.902 0 1 CFAF C[C@H](CCOC(=O)c1ccc(Cl)cc1)n1cncn1 42921246 HYYOYEYVPSCONC-SNVBAGLBSA-N 279.727 2.740 0 1 CFAF C[C@@H]1CN(C)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517413 MTKWLLZQFAWLSV-KZULUSFZSA-N 285.387 2.851 0 1 CFAF N=c1nc2nc(-c3ccc(-c4nccs4)cc3)[nH]c2c[nH]1 587024223 ZGFMOQALBYJANP-UHFFFAOYSA-N 294.343 2.556 0 1 CFAF Oc1nccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c12 587093255 ZEDQDYYMXMZWBP-UHFFFAOYSA-N 298.224 2.813 0 1 CFAF COc1cc(C)ccc1-c1nc2ccnc(O)c2[nH]1 587925025 IVWBVAAERKNLRZ-UHFFFAOYSA-N 255.277 2.648 0 1 CFAF CCCCn1ccc([C@H]2NCCc3c(C(=O)O)cccc32)n1 963120343 GTGNJOVXKOJMJB-INIZCTEOSA-N 299.374 2.617 0 1 CFAF CC(=O)Oc1cccc(/C=C/C(=O)Nc2nccs2)c1 1857639278 VXIMICZGZJPODS-AATRIKPKSA-N 288.328 2.720 0 1 CFAF CC1(C)COC(c2coc3ccccc3c2=O)OC1 482571 MHLNJJFYKXHDCN-UHFFFAOYSA-N 260.289 2.865 0 3 CFAF CN(C)S(=O)(=O)c1ccccc1-c1cccs1 1772610512 LMWUBVQPXOFELQ-UHFFFAOYSA-N 267.375 2.665 0 1 CFAF COc1ccc([C@H](CNC(=O)c2ccccc2)OC)cc1 14721411 GASAZUPHPROROJ-INIZCTEOSA-N 285.343 2.813 0 1 CFAF COc1ccc2c(c1)[C@@]13CCN(C)[C@H](C2)[C@@H]1CCC(=O)C3 169367177 FCJHDGUWJDXJKI-CGTJXYLNSA-N 285.387 2.562 0 1 CFAF O=C1CCc2c(ccc3ccc4c(c23)CCC(=O)O4)O1 13560937 TZDMNFIBGIMXDA-UHFFFAOYSA-N 268.268 2.543 0 1 CFAF C=CC[C@@]1(Cl)C(O)=C(Cl)C(=N)C1(OC)OC 3984359 VPCDFMIKEJQJMN-SECBINFHSA-N 266.124 2.571 0 1 CFAF biogenic COc1ccc(-c2noc([C@H](C)N(C)C)c2C(=O)O)cc1 2356305029 LAOHPXWLRXYLSY-VIFPVBQESA-N 290.319 2.671 0 1 CFAF CC(C)Sc1ccc2c(c1)[C@@H](O)[C@H](N)CCC2 26649828 LEXUCCXFMRYCES-ZIAGYGMSSA-N 251.395 2.884 0 1 CFAF CC1(C)C[C@H]1C(=O)N/C(=C\C1CCCCC1)C(=O)O 26024482 FBZMAZRRYRAOLL-LCFDYFRESA-N 265.353 2.698 0 1 CFAF O=c1[nH]nc(-c2ccncc2)n1-c1ccc2ccccc2c1 66251998 BITKQUYZUVMDIL-UHFFFAOYSA-N 288.310 2.776 0 1 CFAF CC1(C)C[C@@H]2[C@H](O)C(C(=O)O)=C3CC[C@]3(C)[C@H]2C1 2356812697 BLHWUDYFVHCFRU-FGAILIKWSA-N 250.338 2.595 0 1 CFAF COC(=O)[C@@]1(C)CCC[C@]2(C)C3=CC(=O)OCC3=CC[C@@H]12 34630023 XFNUWBUOHKXGNP-XYPHTWIQSA-N 290.359 2.785 0 1 CFAF CS(=O)(=O)c1ccc(-c2nccc3occc23)cc1 32550959 JQQVKLMLRVFRLS-UHFFFAOYSA-N 273.313 2.898 0 1 CFAF C[C@H]1CC[C@@H](O)C(C)(C)[C@@]12Cc1cc(O)ccc1O2 34892301 LCCNGMPSHBOPBJ-DRZCJDIDSA-N 262.349 2.883 0 1 CFAF COc1cccc2c1[C@@]13CCN(C)[C@H](C2)[C@@H]1CCC(=O)C3 194971791 IADSKKCDIYLTIM-HDMKZQKVSA-N 285.387 2.562 0 1 CFAF CC(=O)CC[C@@H]1OC(=O)[C@@H]2[C@@H](C(C)C)CC[C@]12C 141646690 UKWYLUIBBUASGL-UKTARXLSSA-N 252.354 2.970 0 1 CFAF CSCC(C)(C)c1nc2c(S)nc(S)nc2[nH]1 586969292 PUJFBYJPRMYSLI-UHFFFAOYSA-N 286.451 2.571 0 1 CFAF COC(=O)c1ccnc2[nH]c(-c3ccc(C)cc3F)nc12 587146145 AYLXENKPKMIFDH-UHFFFAOYSA-N 285.278 2.859 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnsc1)O2 587413300 GQQWWVSNEGXHCC-GFCCVEGCSA-N 260.318 2.740 0 1 CFAF c1cc(-c2cc3c4c(cccc4n2)CC3)cc(-n2cnnn2)c1 587212563 OVADSLAYADAJHG-UHFFFAOYSA-N 299.337 2.976 0 1 CFAF C[C@@H](Cc1ccccc1)c1ccc2c(O)nc(O)nc2n1 587560349 ALNOHOCGGVAYLN-JTQLQIEISA-N 281.315 2.782 0 1 CFAF COc1ccc(-c2nc(C(=O)n3nc(C)cc3C)co2)cc1 1772589473 QTADGKIGBQYCPG-UHFFFAOYSA-N 297.314 2.852 0 1 CFAF O[C@@]12CC[C@]3(O)c4ccccc4[C@H]3[C@H]1c1ccccc12 5847232 IBFYXVGIKWIZIM-USTZCAOPSA-N 264.324 2.750 0 1 CFAF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C(=O)OCC3=CC[C@H]2C1(C)C 5726357 PFUZNBJKDVPHJT-ZJOBFFGXSA-N 292.375 2.864 0 1 CFAF CCCCNC(=O)c1cnc(Cl)nc1C(F)(F)F 13555191 LFUDIDANQHSONW-UHFFFAOYSA-N 281.665 2.679 0 1 CFAF C[C@@H]1C(=O)S[C@](C)(Cc2ccc(F)cc2F)C1=O 169717848 JKBFWVGNESKGRB-WPPNPWJKSA-N 270.300 2.745 0 1 CFAF NCCN(CCc1ccccc1)C(=O)/C=C/c1ccccc1 1857537083 GWRZEHIPUXXECR-VAWYXSNFSA-N 294.398 2.730 0 1 CFAF NC(=O)[C@H]1CCc2c([nH]c3ccc(Br)cc23)C1 13677629 AMMIISIGBOTIGG-ZETCQYMHSA-N 293.164 2.521 0 1 CFAF CC(C)(CO)CCCC(=O)CCCC(C)(C)CO 28461057 HLRBENIHKMCTTL-UHFFFAOYSA-N 258.402 2.933 0 1 CFAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1CCC1=CCCCC1 4124565 IBFHJIIKIQBQFW-XGUBFFRZSA-N 271.360 2.684 0 1 CFAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC(=O)NC2=O 6482735 PLKNBMMJILFMCQ-ADAWSYLGSA-N 299.370 2.501 0 1 CFAF C[C@H](N/C(=C\[N+](=O)[O-])Nc1ccncc1)C(C)(C)C 100028741 HROMFWYXZZRCFJ-LZAIMSLLSA-N 264.329 2.593 0 1 CFAF Cc1cccc(O)c1Nc1c(Nc2ccccc2)c(=O)c1=O 101113466 IXQYUPRSESKNCN-UHFFFAOYSA-N 294.310 2.784 0 1 CFAF C[C@@H]1[C@H](O)CCC(C)(C)[C@]12CC=C(C(=O)O)CC2 2356462913 ITRPDIHLZQSHRU-HCKVZZMMSA-N 252.354 2.985 0 1 CFAF CC(=O)O[C@@H]1CC[C@](C)(O)[C@@H]2[C@@H](CC(C)(C)O)CC[C@@]12C 2356538703 NPBYTIHOCDRNRJ-VJDWVQAOSA-N 298.423 2.656 0 1 CFAF COc1cc2ccc(=O)oc2cc1OC[C@@H](O)C(C)(C)C 2356553917 HWUGSZDCJZLGDI-CQSZACIVSA-N 292.331 2.587 0 1 CFAF COC1=CC(c2ccc[nH]2)=NC1=CNCCC(C)C 2356641422 OTWGLVDGDXPWNV-UHFFFAOYSA-N 259.353 2.825 0 1 CFAF C[C@@H](NCc1ccc(OCC2CCCCC2)cc1)C(N)=O 27651815 OVSPJSSPWNMGOB-CYBMUJFWSA-N 290.407 2.609 0 1 CFAF CCCC(=O)n1nc(C(=O)OCC)c2ccccc21 72176410 BEBRMDOKWTVVIE-UHFFFAOYSA-N 260.293 2.653 0 1 CFAF CNC[C@@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1C 40860555 YIEXSVBTWQZEGZ-ROUUACIJSA-N 283.371 2.622 0 1 CFAF COC(=O)[C@H]1C=C[C@H](C)[C@H](CCOc2ccccc2)O1 195448007 SJURJHVQPGUJTI-AEGPPILISA-N 276.332 2.588 0 1 CFAF CC(=O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 96282469 AWTNCVWSLWPPIR-UHFFFAOYSA-N 284.359 2.999 0 1 CFAF Nc1ncncc1-c1cccc2c1ncn2CC(F)(F)F 95558797 CQUNHUMZSYHQDE-UHFFFAOYSA-N 293.252 2.638 0 1 CFAF Cc1cccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)c1 141769812 HLDZTPNEVSSEBN-IACUBPJLSA-N 255.317 2.697 0 1 CFAF NC(=O)c1cccc2nc(-c3cc(S)ccc3F)[nH]c12 587142625 IHLULJHTGPXCQP-UHFFFAOYSA-N 287.319 2.757 0 1 CFAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)Nc1cccnc1 587637372 BVWATLVYKOBUMF-UHFFFAOYSA-N 295.298 2.822 0 1 CFAF COc1cc(OC)c2[nH]c(CC[C@@H](C)CC(=O)O)nc2c1 587962194 AUEMNBNPKIAJNH-SECBINFHSA-N 292.335 2.624 0 1 CFAF O[C@@H]1C[C@H](c2nc3nc(Cl)c[nH]c-3n2)c2ccccc21 586902819 MMEGISGIAPCBJI-VHSXEESVSA-N 286.722 2.527 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@H](O)C(C)(C)C1)O2 587404131 NUZHNHKHGCUGQQ-RHSMWYFYSA-N 289.375 2.852 0 1 CFAF Cc1ccc(C(=O)c2ccn(/C=C/C(=O)O)c2)cc1 4762 FDNUNGCLEIISPY-VQHVLOKHSA-N 255.273 2.583 0 1 CFAF O=c1nc(-c2ccc(-c3cc[nH]n3)o2)[nH]c2ccccc12 1772571860 HSKVPSUZMXNVFA-UHFFFAOYSA-N 278.271 2.573 0 1 CFAF Oc1cccc(-n2cnc3nc4ccccc4nc32)c1 12405819 JZKPYCZHGPWSTD-UHFFFAOYSA-N 262.272 2.674 0 1 CFAF CC(C)Cc1cc(O)c(-c2ccccc2)c(=O)n1C 209356353 YEZRAXXRAMJHJX-UHFFFAOYSA-N 257.333 2.956 0 1 CFAF Cc1noc2ccc(N=c3[nH][nH]c4ncc(F)cc34)cc12 1857574331 JRJYHSWBPDNZCM-UHFFFAOYSA-N 283.266 2.712 0 1 CFAF Cc1ccc(Cn2cc(C(=N)S)c3c(N)ncnc32)cc1 20403 KRVQDHJDDLTDEB-UHFFFAOYSA-N 297.387 2.625 0 1 CFAF Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 324184 ANWBTHZJZAMBJU-IKARSPCKSA-N 267.328 2.615 0 1 CFAF CC1(C)C[C@]2(C)[C@@H]1[C@@H]1C[C@]1(C)[C@@H](O)CC[C@]2(C)O 2356424872 XLQPEBGTWDBJAW-DCTDLSKUSA-N 252.398 2.971 0 1 CFAF Nc1cccc(-c2cncc([C@H]3C[C@H]4CC[C@@H]3N4)c2)c1 29123171 WTYKEOIVVOXLGZ-ZACQAIPSSA-N 265.360 2.939 0 1 CFAF CC(C)CNC(=O)C=CCCc1ccc2c(c1)OCO2 2356498600 CSGDXLXTJVRNEA-UHFFFAOYSA-N 275.348 2.676 0 1 CFAF Cc1ccc(-c2cc(=O)c3cc4c(cc3[nH]2)OCO4)o1 73129276 RJBHOQARVKORPR-UHFFFAOYSA-N 269.256 2.825 0 1 CFAF CC(=O)c1c(NNc2ccc(C)cc2)cc(C)oc1=O 73280504 SMBTUXNLFKIHSI-UHFFFAOYSA-N 272.304 2.898 0 1 CFAF O=C1CCc2cc(-c3cccnc3)cc3c2N1CC3 71318490 ALGJKWNHKLTCIT-UHFFFAOYSA-N 250.301 2.584 0 1 CFAF CCOC(=O)c1cccc2[nH]c3c(c12)C[C@H](N(C)C)CC3 39214068 OPZWSXNGFNKQEN-LLVKDONJSA-N 286.375 2.764 0 1 CFAF COC[C@@H](C)Nc1cc(-c2cc(F)ccc2F)ncn1 82161412 URYODNWXPIPSKP-SECBINFHSA-N 279.290 2.869 0 1 CFAF COc1ccc2sc(S[C@@H](C)C(=O)O)nc2c1 45253822 ZODJAFFPCGRBAV-LURJTMIESA-N 269.347 2.870 0 1 CFAF CN1C=CN(COC/C=C/C(C)(C)C)/C1=C/N=O 137206502 UUFKGOHHOOXTQR-VTNGQZISSA-N 251.330 2.847 0 1 CFAF O=C(O)Cc1ccc2c(c1)CCc1ccccc1[S@@]2=O 80499022 LMXHJVCWMXXJNK-HXUWFJFHSA-N 286.352 2.579 0 1 CFAF Cc1cccc(-c2ncn(/C=C\C(=O)OC(C)C)n2)c1 144478650 ZPMKPASGUYOHQI-FPLPWBNLSA-N 271.320 2.676 0 1 CFAF COc1cc(O)c([C@H](OC)C(C)C)c(OC)c1OC 238748135 NRAQAVITKFNEOG-GFCCVEGCSA-N 270.325 2.762 0 1 CFAF C[C@@H]1c2nc3nc(O)nc(O)c3cc2[C@@H]1c1ccccc1 587561392 HEHHWMGBOFPGFY-UFBFGSQYSA-N 279.299 2.685 0 1 CFAF N[C@]1(c2nc3cccc(O)c3[nH]2)C[C@@H]1c1ccccc1F 587156681 PBARAHKLLUZGKT-QLJPJBMISA-N 283.306 2.749 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3ncccc31)O2 587396161 XCIFQSXHLWARSR-KRWDZBQOSA-N 280.327 2.779 0 1 CFAF Cc1cc(O)n([C@H](COc2cc(F)cc(F)c2)N=O)c1O 587944078 AHSNUEHNNLILMK-LLVKDONJSA-N 298.245 2.830 0 1 CFAF O=C1C[C@@H](c2cc[n+]([O-])cc2)Oc2c1ccc1c2CCCC1 587514436 YDRCTFHRMIDNLO-KRWDZBQOSA-N 295.338 2.905 0 1 CFAF O=C(O)c1cccc2c1CCN[C@@H]2[C@H]1C[C@@H]1C(F)(F)F 963132425 POEXGNVPZAYYOC-SRVKXCTJSA-N 285.265 2.770 0 1 CFAF Fc1cccc2c1C1=NCCCN1C(=S)S2 1857586597 BTPDQXGJSLTUTC-UHFFFAOYSA-N 252.339 2.669 0 1 CFAF CC1=CC[C@H](C(C)(C)OC(=O)CN2CCC(O)CC2)CC1 1857634076 ZFLZSVGVTWXXOU-AWEZNQCLSA-N 295.423 2.511 0 1 CFAF CCCCCn1cc(F)c(=O)n(CCCCC)c1=O 146810970 AWBZNOWRXXDDMM-UHFFFAOYSA-N 270.348 2.530 0 1 CFAF Cn1cc(C2=NCC3(C[C@@H]4CC[C@H](C3)N4)O2)c2ccccc21 13451648 PDAFNQMUAMELER-NCNPBXTDSA-N 295.386 2.608 0 1 CFAF COc1ccc2c([nH]c3cc(O)c(C=O)cc32)c1C=O 14611177 VPSFJNOVIVVIKA-UHFFFAOYSA-N 269.256 2.660 0 1 CFAF O=C(c1ccn(-c2ccc(O)c(F)c2)c1)C(F)F 169311968 LNNULKVTZHKXCA-UHFFFAOYSA-N 255.195 2.770 0 1 CFAF CN1CC[C@@]23c4c5cccc4O[C@H]2CCC[C@H]3[C@H]1C5 169319829 HWXKCCDLLDWFIH-YXPYIKCWSA-N 255.361 2.746 0 1 CFAF CC(C)NC(=O)CCCn1c(N)nc2cc(Cl)ccc21 58582569 DODYWTFDGHLEGL-UHFFFAOYSA-N 294.786 2.577 0 1 CFAF CCc1c(C)nc2nc(NCc3ccc(C)cc3)nn2c1O 21785406 UKQUAWYTYKLBBX-UHFFFAOYSA-N 297.362 2.621 0 1 CFAF CN1[C@@H]2CC[C@@H]1CC(NC(=O)N1CCCc3ccccc31)C2 101225137 LQAZUOYNZJPCBQ-HZPDHXFCSA-N 299.418 2.774 0 1 CFAF COc1cc(C=CC(=O)Oc2ccc(O)cc2)ccc1O 2356574978 VPTARALPQYFNJF-UHFFFAOYSA-N 286.283 2.725 0 1 CFAF C[C@@H]1Cc2ncccc2[C@H](C[C@H]2C[C@H](O)CCN2C)C1 2356742950 NKFHPKWLZWHZNQ-ZQDZILKHSA-N 274.408 2.593 0 1 CFAF O[C@](c1cncnc1)(c1ccccn1)c1ccccc1Cl 72103450 RVLRSIRVOUCLLY-INIZCTEOSA-N 297.745 2.809 0 1 CFAF CCCCn1cc[n+](Cc2nc3ccccc3[nH]2)c1 38525843 NMBPQOFIDFMXLR-UHFFFAOYSA-N 255.345 2.500 0 1 CFAF COc1cccc2cc(C(=O)NC3CCCC3)c(=N)oc12 84668875 BYUCTXVENNCCRL-UHFFFAOYSA-N 286.331 2.593 0 1 CFAF Cn1ccc2c(N3CCOCC3)cc3c(c21)[C@@H]1CC[C@H]3O1 95567168 PCMALLUWAUCOEY-CABCVRRESA-N 284.359 2.921 0 1 CFAF C[C@H]1NCCCN(c2ccc3ccccc3c2)C1=O 145632394 WYRFRMLLNNWZHF-GFCCVEGCSA-N 254.333 2.555 0 1 CFAF CC1=C(C(=O)OC(C)C)[C@@H](c2cccs2)CC(=O)N1 653740634 IGVHNADHCSBLEY-SNVBAGLBSA-N 279.361 2.577 0 1 CFAF N=c1[nH]c(-c2cccc(-c3nc4cnncc4[nH]3)c2)cs1 587021523 MZIYIYIUUKAINC-UHFFFAOYSA-N 294.343 2.556 0 1 CFAF Nc1cccc(-c2nc3cc(F)c(F)cc3[nH]2)c1C(=O)O 587248526 SGMRQMIQDVIMBP-UHFFFAOYSA-N 289.241 2.789 0 1 CFAF Cc1nc(N(C)C)ncc1-c1nc2cccc(C)c2[nH]1 587194337 DDGBMPTUPUCERU-UHFFFAOYSA-N 267.336 2.703 0 1 CFAF N=c1[nH]c(-c2cccc(-c3nc4ncc[nH]c-4n3)c2)cs1 587021718 PNHTVQNJWJICIU-UHFFFAOYSA-N 294.343 2.508 0 1 CFAF CCCC1(c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)CCC1 586877673 JYSSXHFKWFXECT-UHFFFAOYSA-N 265.748 2.592 0 1 CFAF COC[C@@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 587398132 CEWMWPPTMGEVRQ-OAHLLOKOSA-N 263.337 2.584 0 1 CFAF NCc1cccc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 587246759 MXSHMYXOFBHTSU-UHFFFAOYSA-N 263.304 2.565 0 1 CFAF CSc1nnc(CCCO)n1-c1ccccc1Cl 1857553977 NCKSFSODKYVVBF-UHFFFAOYSA-N 283.784 2.568 0 1 CFAF NC(=S)c1cccc(-c2c[nH]c3cccnc23)c1 1857578239 XYLLHSQRZVOBDZ-UHFFFAOYSA-N 253.330 2.864 0 1 CFAF CCN(Cc1cccnc1)C(=O)COc1ccc(C)cc1 1772617824 MMJKIXYZZVLYHI-UHFFFAOYSA-N 284.359 2.818 0 1 CFAF NC(=O)N1N=C2c3ccccc3OC[C@H]2[C@@H]1c1ccccc1 5843817 WIQHINSZZKPWDP-CJNGLKHVSA-N 293.326 2.535 0 1 CFAF O=c1cc(CCc2ccccc2)oc2c(O)cc(O)cc12 13340572 BHADNQACDVZRFY-UHFFFAOYSA-N 282.295 2.989 0 1 CFAF biogenic,in-vitro CC(=O)Nc1ncc(SCC(=O)OC(C)(C)C)s1 13490933 HOEMOEJHHVVLJW-UHFFFAOYSA-N 288.394 2.535 0 1 CFAF CCCCCCNC(=O)OCCCc1c[nH]cn1 13793911 OTVSGTACYBOCJO-UHFFFAOYSA-N 253.346 2.649 0 1 CFAF COc1ccc2ccc(C(N)=O)c(OC(C)C)c2c1 6406 CUZLZKSVOLGXQD-UHFFFAOYSA-N 259.305 2.735 0 1 CFAF CCSC1=NCC(=O)N1c1cc(F)ccc1C 22382 USMJNUZAMWELHG-UHFFFAOYSA-N 252.314 2.590 0 1 CFAF CN(C)c1c(CN2CCCCC2)c(=O)oc2ccccc12 236913 QYDCRRNCQISECL-UHFFFAOYSA-N 286.375 2.845 0 1 CFAF CC(=CC(=O)O)[C@@H]1CC2=CCCC(C)(C)[C@@H]2[C@@H]1O 2356438447 GNCWMCSOOYUYGR-FPMFFAJLSA-N 250.338 2.761 0 1 CFAF CCN[C@@H]1CCc2c(OC)ccc(SC)c2C1 29212339 DVTQGPIODHLNJI-SNVBAGLBSA-N 251.395 2.884 0 1 CFAF C[C@@H]1CCC2=C(CO)CN(CCc3ccc(O)cc3)C=C21 2356858965 TXMLNVZMFKLSOA-CYBMUJFWSA-N 285.387 2.853 0 1 CFAF O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C1\NCCS1 31853965 ZWNXZDZJPQZAAK-GQCTYLIASA-N 275.544 2.654 0 1 CFAF CN1C[C@]2(C)OC(=O)C(Cl)=C2C[C@H]1c1ccccc1 33294856 ZLCXKDYXSQYNRL-WFASDCNBSA-N 277.751 2.872 0 3 CFAF COc1ccc2c(c1)C(=O)c1c-2c(=O)n(C)c2ccccc12 71340826 SOABUVMOKBLBQX-UHFFFAOYSA-N 291.306 2.759 0 1 CFAF CN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1 43068294 ZWZGWXZGAUJLHN-UHFFFAOYSA-N 279.387 2.981 0 1 CFAF N=c1[nH]c2ccc(-c3cnn(C4CC4)c3)cc2s1 473089738 LQRDKLHMFKXYHC-UHFFFAOYSA-N 256.334 2.907 0 1 CFAF N[C@@H](c1ccsc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587025199 FMOXIOTZSYMRJA-AWEZNQCLSA-N 298.371 2.557 0 1 CFAF COc1ccccc1CC(=O)c1nc2ccnc(C)c2[nH]1 587930881 QGFZAMAASQCQKR-UHFFFAOYSA-N 281.315 2.700 0 1 CFAF COC(=O)[C@@H]1CCc2c1nc1cccc3c1c2CC3 587213571 JKIXRBRKNDUFGP-GFCCVEGCSA-N 253.301 2.536 0 1 CFAF COc1cc2c3c(c1)O[C@H]([C@@H]1OCCC1(C)C)[C@@H](C2)C3=O 587452596 FOHAANILTQTMPB-UVBJJODRSA-N 288.343 2.626 0 1 CFAF CC(C)(C)c1ccc2nc(CC3OCCO3)[nH]c2c1 586909511 ZTLTXSJHDZVKIA-UHFFFAOYSA-N 260.337 2.776 0 1 CFAF Oc1ccc2c(c1)[C@H](c1ccnn1[C@@H]1CCCCO1)NCC2 963328925 JOULHNLOSUCDPC-DLBZAZTESA-N 299.374 2.523 0 1 CFAF CC(C)c1ccc(COc2nc(N)nc3[nH]cnc23)cc1 13600866 VCJLAVFMLBNGTK-UHFFFAOYSA-N 283.335 2.638 0 1 CFAF Cc1cccc(Cl)c1NC(=O)[C@@](C)(O)C(F)(F)F 13808674 UWMLUSUJGSNBPJ-SNVBAGLBSA-N 281.661 2.900 0 1 CFAF CN(C)C[C@@H]1COC(c2ccccc2)(c2ccccc2)O1 13858558 JQJMHGSPMGHLFS-QGZVFWFLSA-N 283.371 2.865 0 1 CFAF CCOC(=O)c1c(C)oc2nc(N3CC[C@@H](F)C3)ccc12 1857542271 UXKNTNSJCVEOKO-SNVBAGLBSA-N 292.310 2.861 0 1 CFAF c1cnc2c(c1)-n1cccc1C1(CCCCC1)NN2 1609085 XSXTUXDHOFCALL-UHFFFAOYSA-N 254.337 2.962 0 1 CFAF O[C@]1(c2ccc(Cl)cc2)Cc2ccccc2C2=NCCN21 27869285 OYHRTIFEWIRHKM-KRWDZBQOSA-N 298.773 2.804 0 1 CFAF Cc1cc2nnc(-c3ccc(F)cc3)nc2c(C)n1 26491699 CCDSSJHYLBLXRY-UHFFFAOYSA-N 254.268 2.843 0 1 CFAF O[C@@H](c1nnc(-c2ccccc2)[nH]1)[C@H]1CC=CCC1 103176427 ZUFOXHZCDSGQOI-WCQYABFASA-N 255.321 2.861 0 1 CFAF O=C1NC(=O)[C@@H](Sc2ccc3cc(O)ccc3c2)S1 29215474 NVHFRSHAUQAENH-LBPRGKRZSA-N 291.353 2.947 0 1 CFAF CCCCOC(=O)C=Cc1ccc(O)c(OC)c1 2356505603 JTQRZRRDNZAHMH-UHFFFAOYSA-N 250.294 2.757 0 1 CFAF Cc1nn(C)c2c1C(c1ccccc1)=N[C@H](C)[C@H](C)N2 28105562 XDCIGINZGLLDIJ-MNOVXSKESA-N 268.364 2.768 0 1 CFAF CC(C)(C)C1=C(C(=O)O)N2C(=O)/C(=C\c3ccccc3)[C@H]2O1 38440028 NEZMOFNDDULBCY-SLZMIMFISA-N 299.326 2.611 0 1 CFAF C/C=C1/CN2CC[C@]3(O)c4c(cnc5ccccc45)[C@H]1C[C@H]23 139741916 ZDKCWAXXBACWIF-YAAMYHPNSA-N 292.382 2.944 0 1 CFAF COc1ccc2occ(-c3ccc(O)cc3)c(=O)c2c1O 238770835 OWOLPTZIAWJNPY-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF CCCC[C@H](N)[P@](=O)(O)[C@@H](O)[C@H](C)c1ccccc1 253992259 URWFEJMYAFQRIB-MRVWCRGKSA-N 285.324 2.854 0 1 CFAF O=C1O[C@@H]2[C@H](C[C@H]1Cc1ccccc1)C2(Cl)Cl 299807913 DBRQQOGLJMVSRB-OUAUKWLOSA-N 271.143 2.965 0 1 CFAF c1ccc2c(c1)CC[C@@]21C[C@@H]1c1nc2ncc[nH]c-2n1 586892904 XXUUNKKLCQIARR-MLGOLLRUSA-N 262.316 2.676 0 1 CFAF O=C(O)Cc1cc(CC(=O)O)cc(-c2ccccc2)c1 584905621 VAGQJIBPPQRDCK-UHFFFAOYSA-N 270.284 2.608 0 1 CFAF in-vitro Cc1ccc(CCc2nc3cc(F)cnc3[nH]2)cc1N 587251006 WBEFDCXRKLYSQU-UHFFFAOYSA-N 270.311 2.773 0 1 CFAF Oc1nc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cs1 587017727 OHZIOYNGHVZBIL-UHFFFAOYSA-N 297.242 2.714 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1oc(C)nc1C)[C@@H](C2)C3=O 587435659 HYWKIEDYJVOGEF-ZBEGNZNMSA-N 285.299 2.789 0 1 CFAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(O)nncc3[nH]2)n1 587078754 AQMSNLJQVIFVBN-ZCFIWIBFSA-N 292.730 2.546 0 1 CFAF N[C@@]1(c2nc3ccc(CO)cc3[nH]2)C[C@H]1c1ccccc1F 587154777 GYMKRYNSFZXPIY-SJCJKPOMSA-N 297.333 2.536 0 1 CFAF CN1CCc2cnn(C)c2[C@]1(CC(C)(C)C)c1ccccn1 963955682 RGPWGBDOQWMUAZ-SFHVURJKSA-N 298.434 2.983 0 1 CFAF COc1cc2oc(=O)cc(SC)c2c(C)c1OC 13335040 QYHVVWPZKVDKMN-UHFFFAOYSA-N 266.318 2.841 0 1 CFAF CCCCCOc1nccnc1C1=CCCN(C)C1 13728554 KXFOJZBZXFHJEH-UHFFFAOYSA-N 261.369 2.765 0 1 CFAF O=c1cc(-c2cccc(F)c2)nc2[nH]c3ccccc3n12 103151850 RFKOXDQRHFOREN-UHFFFAOYSA-N 279.274 2.982 0 1 CFAF Cc1ccc(COc2ccc3c(c2)CCc2nnnn2-3)cc1 103219333 HNQAKEZVLQVRDJ-UHFFFAOYSA-N 292.342 2.648 0 1 CFAF COC(=O)[C@H]1[C@H](c2ccc(C)cc2)C[C@H]2CC[C@H]1N2C 100773450 MMKZDDDDODERSJ-QXSJWSMHSA-N 273.376 2.734 0 3 CFAF in-vivo C[C@H]1CCCc2c1sc1c2CN2C(=NC(=O)[C@@H]2C)N1 27212190 KQGUGVRHFDKRTR-YUMQZZPRSA-N 275.377 2.700 0 1 CFAF COC(=O)C1=C(C)/C(=C/Nc2ccc(OC)cc2)N=C1C 103979765 RNPSOWNEDDHCPI-ZROIWOOFSA-N 286.331 2.913 0 3 CFAF O=C(Nc1ccccc1)OCc1cn2ncnc2s1 66252579 SONPUYUNALZLLZ-UHFFFAOYSA-N 274.305 2.540 0 1 CFAF C[C@H]1C(=O)N=C2Nc3sc4c(c3CN21)CCC[C@H]4C 27212186 KQGUGVRHFDKRTR-SFYZADRCSA-N 275.377 2.700 0 1 CFAF Cc1ccc2c(c1)-c1[nH]c(C(=O)O)cc(=O)c1CS2 28769121 PZZVOMWAZNVLLU-UHFFFAOYSA-N 273.313 2.654 0 1 CFAF Cc1coc2c1[C@@H]1OC(=O)C3=CCC[C@@H](C2=O)[C@@]31C 2356449506 PJONERLFBPPJEL-IIRLODAESA-N 258.273 2.725 0 1 CFAF CC1(C)CCC[C@]2(C)[C@@H](C(=O)O)C(C(=O)O)=CC[C@H]12 27524938 FQTCSKNXOMTTCX-HFAKWTLXSA-N 266.337 2.935 0 1 CFAF O=C1Nc2cc(O)ccc2/C1=C\c1ccc(O)cc1 28530312 KXXHVCKGFIIBLO-NTUHNPAUSA-N 253.257 2.591 0 1 CFAF COc1ccnc(CNc2ccc3nc(C)[nH]c3c2)c1OC 95590395 LSJGSNYAOKOXDC-UHFFFAOYSA-N 298.346 2.896 0 1 CFAF CN1CC[C@@H]2[C@@H](CCC[C@H]2NC(=O)c2ccccc2)C1 299804604 IVYNIYYTFLHWEX-ARFHVFGLSA-N 272.392 2.537 0 1 CFAF O=c1cc(CO)n(-c2ccc(-c3ccccc3)cc2)cc1O 299866151 OMNLVVBCKXMPHK-UHFFFAOYSA-N 293.322 2.702 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(C)c(C)n1C)O2 587390802 OCMQNBVQHTUUQC-AWEZNQCLSA-N 285.347 2.634 0 1 CFAF O=C(O)C[C@@H]1CCc2nc3cccc4c3c(c21)CC4 587215830 VPLXHAIJDJODGH-JTQLQIEISA-N 253.301 2.838 0 1 CFAF COc1ccc2nc(/C=C/c3ccc(N)cc3)[nH]c2n1 587251316 CJHFBXHNKLFINS-XBXARRHUSA-N 266.304 2.719 0 1 CFAF CCCn1cc(CCCCCc2cn(CCC)nn2)nn1 584905141 MUTHZRDXMHMSAA-UHFFFAOYSA-N 290.415 2.645 0 1 CFAF in-vitro COc1nccc2nc(/C=C/c3ccccc3C(=O)O)[nH]c12 586880509 QWXQYOCCJDRBKE-VOTSOKGWSA-N 295.298 2.835 0 1 CFAF N=c1cc2nc(CSCc3ccsc3)[nH]c2c[nH]1 587024742 BMEXVOAMCVZZCY-UHFFFAOYSA-N 276.390 2.865 0 1 CFAF C=C(NC(C)=O)c1nc2ccc3c(c2[nH]1)CCCC3 587202619 FRIFSRIQDQBONQ-UHFFFAOYSA-N 255.321 2.549 0 1 CFAF COc1cnc(-c2ccccn2)nc1NCC(C)C 145499993 ZKKFQESIRQBYSB-UHFFFAOYSA-N 258.325 2.615 0 1 CFAF CS(C)(=O)=NC(=O)Nc1ccc(C(F)(F)F)cc1 1772640798 AAKKXXWWXVIOBP-UHFFFAOYSA-N 280.271 2.965 0 1 CFAF CC(C)=C[C@H]1N[C@H](C(=O)O)Cc2c[nH]c3cccc1c23 13399526 VZMAHZAQMKNJIG-KGLIPLIRSA-N 270.332 2.774 0 1 CFAF in-vitro Cc1cn(C[C@@H](O)c2ccc(Cl)cc2Cl)c(N)n1 169351082 RPROYMMSQHRAPC-LLVKDONJSA-N 286.162 2.814 0 1 CFAF O=C1Oc2ccccc2[C@@]2(O)[C@H]3CCCCC[C@@H]3[C@H]12 4114278 CONVEVQNXBXAGL-WYURAEBNSA-N 258.317 2.620 0 1 CFAF CC(C)N1CCC(Oc2ccc(CN(C)C)cc2)CC1 13613424 GXDDZXKMWVFNHP-UHFFFAOYSA-N 276.424 3.000 0 1 CFAF Nc1ccc(C2CCN([C@@H]3CCCC[C@H]3O)CC2)cc1 28231359 QKZZLSKHUZZWJR-IAGOWNOFSA-N 274.408 2.752 0 1 CFAF CC[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccccc1 2356437278 MYGQTPNBZLTNHQ-BPUTZDHNSA-N 272.392 2.537 0 1 CFAF O=C1[C@@H]([C@@H](O)c2cccnc2)CCCN1Cc1ccccc1 103295723 XFWFBYWUNNWOCC-SJORKVTESA-N 296.370 2.554 0 1 CFAF O=C(NCc1ccc(F)cc1)c1cccc(=S)n1O 59114904 KWOBZMIOWBOAQG-UHFFFAOYSA-N 278.308 2.524 0 1 CFAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccccc1)CN32 100912904 XTYJQBUILMRWGE-ZDCSZDIJSA-N 283.371 2.726 0 1 CFAF O=C1[C@H]([C@@H](O)c2ccccn2)CCCN1Cc1ccccc1 103295731 PAAXSNLDEXOHBR-DOTOQJQBSA-N 296.370 2.554 0 1 CFAF COc1ccc(CC(=O)c2cc(O)c(OC)cc2O)cc1 64560471 RBEUYQRHOKMSIT-UHFFFAOYSA-N 288.299 2.540 0 1 CFAF CC[C@@H](C)C(=O)C(=O)OCCc1c[nH]c2ccccc12 28765769 QRAQXRUWVDERAG-LLVKDONJSA-N 273.332 2.869 0 1 CFAF COc1ccc(CC/N=c2/cccccc2O)cc1OC 29562715 JZAXZPWKPXLHRN-UHFFFAOYSA-N 285.343 2.553 0 1 CFAF Nc1nc(-c2cccs2)c2c(n1)-c1ccccc1C2=O 34057529 DGMVPMHRQUKVSX-UHFFFAOYSA-N 279.324 2.999 0 1 CFAF Cc1cc(-c2ccco2)c2c(N)c(C(N)=O)sc2n1 39023260 FPDRAPAICDDZAT-UHFFFAOYSA-N 273.317 2.546 0 1 CFAF COc1cc2c(cc1O)OC[C@@H](c1ccc(O)cc1)C2 34316958 UIGOOLXQMJUBBW-LBPRGKRZSA-N 272.300 2.825 0 1 CFAF endogenous,in-man N=C(NCCc1ccccc1)SCCCc1c[nH]cn1 43019145 KLOWQCMHDZVUBY-UHFFFAOYSA-N 288.420 2.843 0 1 CFAF COC[C@@]1(O)[C@@H](CO)[C@@H]2CC[C@@]1(C)[C@@]2(C)C1CCCCC1 85545637 MSEDTCPMPHXYPR-KFGODFMUSA-N 296.451 2.989 0 1 CFAF biogenic,in-vitro C/C1=C/[C@H](O)[C@@H]2[C@@H](/C=C(\C)CCC1)OC(=O)[C@@H]2C 238742918 GVPJXSQYSBKZEM-NXSCNYTBSA-N 250.338 2.602 0 1 CFAF COc1cc2c(cc1C)[C@H](C(C)C)C[C@@H](O)[C@]2(C)O 95562241 SEGVFKZPKBQZRQ-IUIKQTSFSA-N 264.365 2.715 0 1 CFAF CCc1cc2cc(NC(=O)c3cccnc3N)ccc2[nH]1 618010327 SGVYYELHCCMXMC-UHFFFAOYSA-N 280.331 2.960 0 1 CFAF Cc1ccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2n1 586908766 UZOFNIIPHXXVGH-SNVBAGLBSA-N 281.315 2.847 0 1 CFAF CCC(C)(C)c1ccc(-c2nc3c(O)nc(=N)[nH]c3[nH]2)cc1 586882162 VICJKWPDHZVNNQ-UHFFFAOYSA-N 297.362 2.826 0 1 CFAF CC(C)C[C@H](O)c1nc2cncc(Br)c2[nH]1 586900570 GUXWGDQNTAFCFO-VIFPVBQESA-N 284.157 2.800 0 1 CFAF NCc1cccc(-c2nc3cc(Cl)ncc3[nH]2)c1 587245600 BIYYSZGWPVOLLR-UHFFFAOYSA-N 258.712 2.737 0 1 CFAF CCOCc1ccc(-c2nc3nc(Cl)ncc3[nH]2)o1 586904010 XMHOBYFRMIQBQU-UHFFFAOYSA-N 278.699 2.803 0 1 CFAF N=c1cc2[nH]c(-c3cc4c(s3)CCC4)nc2c[nH]1 587036468 CBEHIHRSSFONPU-UHFFFAOYSA-N 256.334 2.588 0 1 CFAF COC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587803746 XPINCAXYUXLIDS-GMSGAONNSA-N 288.160 2.810 0 1 CFAF CCCSc1nsnc1O[C@@]12CCCN(CC1)C2 13777597 CAMNRYWGSIAURC-LBPRGKRZSA-N 285.438 2.657 0 1 CFAF O=C(c1c2n(c3ccccc13)CCNCC2)C(F)(F)F 13535402 WXYUSAFGLSPBAF-UHFFFAOYSA-N 282.265 2.532 0 1 CFAF C[C@@H](Oc1ccccc1-c1ccccn1)C1=NCCN1 13585550 WRRWKIRSGSSXLV-GFCCVEGCSA-N 267.332 2.518 0 1 CFAF CC[C@@H](c1ccc(C)cc1)N1C(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C1=O 13960319 OGPMHIVGCUKUGV-RBZJEDDUSA-N 299.370 2.609 0 1 CFAF Cc1ccccc1-c1cncc(C(=O)[C@H]2CCN(C)C2=O)c1 205750861 KFGUZZDRAQLMHV-MRXNPFEDSA-N 294.354 2.718 0 1 CFAF Cc1ccccc1OCC(=O)Nc1ccc2cnn(C)c2c1 1857540836 QGSSNAQSZKBUOO-UHFFFAOYSA-N 295.342 2.899 0 1 CFAF CC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1O2 3600276 JTPPWGYSPSGKBR-UHFFFAOYSA-N 274.297 2.828 0 1 CFAF CCc1cccc(C)c1N1C(=O)CCN(CC)C1=S 22641 BWOHPHKKQYDTDE-UHFFFAOYSA-N 276.405 2.901 0 1 CFAF COC[C@]1(O)C[C@@]23C(=C1C(=O)O)C[C@@H](CC[C@H]2C)C3(C)C 2356355471 FXHYJUYTBCLABS-KWAZRSOSSA-N 294.391 2.611 0 1 CFAF Cc1occc1-c1nnc2n1N[C@H](c1ccc[nH]1)S2 28712925 MUHMKVVGMJXQCE-NSHDSACASA-N 273.321 2.523 0 1 CFAF COc1cccc(-c2ccc3c(N)c(C(N)=O)sc3n2)c1 64527123 FEHLZYWXCFELFL-UHFFFAOYSA-N 299.355 2.653 0 1 CFAF CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](OC(=O)Cn1ccccc1=N)C2 106587402 QLVQMXPHYHNOAD-IGCXYCKISA-N 288.391 2.726 0 1 CFAF O=C(O)Cc1c(C(=O)O)[nH]c2c(Cl)ccc(Cl)c12 58633010 GQXFZEWSJBOLCT-UHFFFAOYSA-N 288.086 2.800 0 1 CFAF in-vitro CCC(=O)N(c1ccc(OC)cc1)[C@@H]1CCC[C@H]1N(C)C 28238628 JWPRISLADJWQIY-HZPDHXFCSA-N 290.407 2.921 0 1 CFAF C=Cc1ccc2ccn(CCN3CCCN(C)CC3)c2c1 22939920 SWVGDUGMBSNJAG-UHFFFAOYSA-N 283.419 2.922 0 1 CFAF Cc1ccc([C@@H]([C@H]2Cc3ccccc3O2)n2cnnn2)cc1 26182082 KGRHYXLYQFPRRK-SJORKVTESA-N 292.342 2.575 0 1 CFAF CCNC(=O)NC[C@@H]1C[C@H]1c1cccc2c1O[C@@H](CC)N2 28224600 HOVPRNGLKDSXLM-SUHUHFCYSA-N 289.379 2.650 0 1 CFAF OCCNc1nc2ccccc2nc1Cc1ccccc1 28572253 SNVOYVYEVPVVNG-UHFFFAOYSA-N 279.343 2.625 0 1 CFAF in-vivo Cc1c2c(nc3sc4c(N)ncnc4c13)CCC2 40392965 KDVNYSFYFJOXEX-UHFFFAOYSA-N 256.334 2.619 0 1 CFAF COc1cc(-c2ccc(C=O)c(O)c2)cc(OC)c1OC 64573996 GBVUUBUQAJTEDO-UHFFFAOYSA-N 288.299 2.898 0 1 CFAF C=Cc1ccc([C@H]2C[C@@H]3CC[C@H](N3)[C@@H]2C(=O)OC)cc1 194872795 KHYFCJWXLVZFLY-XUWVNRHRSA-N 271.360 2.727 0 1 CFAF Cc1nc(N2CCCC2)c2c(n1)[nH]c1ccc(O)cc12 221387173 KXTAXGBRCGGQIF-UHFFFAOYSA-N 268.320 2.725 0 1 CFAF O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccccc1F 139738158 KXJNSCPKVVKJJK-MHWZDGSBSA-N 271.291 2.527 0 1 CFAF CCOc1ccc(-c2cc(N[C@@H](C)COC)ncn2)cc1 82160633 UPDFPJYENJZGQI-LBPRGKRZSA-N 287.363 2.989 0 1 CFAF COC1(OC)CC[C@@]2(C)O[C@H](c3ccccc3)[C@H]1O2 299816612 IWPNHSXUSSCPPK-MCIONIFRSA-N 264.321 2.642 0 1 CFAF C[C@@H](Cc1ccccc1-c1cccnc1)C1=NCCN1 473121278 GSYAQPWXFJPVPN-ZDUSSCGKSA-N 265.360 2.929 0 1 CFAF CCCOC(=O)C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397948 CGNCUAGOEJTQCA-INIZCTEOSA-N 291.347 2.644 0 1 CFAF C=Cc1c(CNC(=O)OCC)[nH]c2c(C(=O)O)cccc12 587638179 NNKPBFFDNYKNLP-UHFFFAOYSA-N 288.303 2.755 0 1 CFAF Oc1ncnc2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12 586886883 DOASDZCKPHAYRO-SPTRTOBYSA-N 270.336 2.526 0 1 CFAF CC(C)(CN)c1cccc(-c2ccnc3[nH]ncc23)c1 167686235 VXUKFMMLVSLKTN-UHFFFAOYSA-N 266.348 2.861 0 1 CFAF C[C@H]1CCCC[C@@H]1c1nnn2cnc3[nH]ccc3c12 1772614048 YJOZVKAKNWBYQO-UWVGGRQHSA-N 255.325 2.899 0 1 CFAF CN1C(=O)CC[C@@H]2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@@H]21 169310068 SQCYNKYOQAZHHL-QTMLKOJVSA-N 291.435 2.821 0 1 CFAF CC(=O)C[C@H]1O[C@H](C)[C@@H](C)c2c(C)c(O)cc(O)c21 169588950 KQJUPJPMSHSUKV-ZDSQKVDBSA-N 264.321 2.949 0 1 CFAF Oc1cc(N2CCCCC2)c(O)n1-c1ccccc1 169689960 SOCUYWYWAHFHBB-UHFFFAOYSA-N 258.321 2.879 0 1 CFAF CCOc1cccc2c1O[C@@]1(C)C[C@@H]2/C(=C(\C)O)C(=O)N1 6790939 RKRHDCUVGVUMHM-WBBLVIBTSA-N 289.331 2.629 0 1 CFAF O=C1C[C@@H](c2cc(O)cc(O)c2)Oc2cc(O)ccc21 14806581 OVSYWZXDPOVKQU-AWEZNQCLSA-N 272.256 2.510 0 1 CFAF Cc1c(O)ccc(-c2noc3cc(O)ccc23)c1O 3819173 IEFPNCUAKUNJRP-UHFFFAOYSA-N 257.245 2.920 0 1 CFAF O=C(O)CN1CCC[C@@H](Cc2c[nH]c3ccccc23)C1 6004840 AXAHQCGSEIRMQJ-LBPRGKRZSA-N 272.348 2.507 0 1 CFAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43N)[C@@H]1CCC2=O 6067848 VCRGGMFLPVASGG-FTAMUGHTSA-N 287.403 2.779 0 1 CFAF Cn1c2c(c3ccccc31)CC(=O)Nc1cccnc1-2 29053705 XJOVBFOCPFDWAG-UHFFFAOYSA-N 263.300 2.735 0 1 CFAF CC(=O)Nc1ccc2c(c1)S(=O)(=O)c1ccccc1N2 26186954 HQKBGKQRPRGRRD-UHFFFAOYSA-N 288.328 2.535 0 1 CFAF Fc1ccccc1CN1Cc2ccccc2-n2nncc2C1 61924087 NBOVAXSOXFXURW-UHFFFAOYSA-N 294.333 2.922 0 3 CFAF CC(C)N[C@H](C)[C@H](O)COc1ccc2ccccc2c1 28766248 PZPAJMWFOHJPAQ-CXAGYDPISA-N 273.376 2.966 0 1 CFAF CC(=O)Nc1cc(-c2ccoc2)nc(-c2ccoc2)n1 66105170 GZBCDFOZDQIUBI-UHFFFAOYSA-N 269.260 2.955 0 1 CFAF NCC1CCN(c2c(Cl)cncc2Cl)CC1 117586319 KUAOHWXOXFEZAJ-UHFFFAOYSA-N 260.168 2.564 0 1 CFAF Nc1nc2c(O)cccc2c2cn(-c3ccccc3)nc12 72176852 FMFNBEVJSIFTMQ-UHFFFAOYSA-N 276.299 2.862 0 1 CFAF O=C(c1cccs1)C1CCN([C@@H]2CCCC[C@H]2O)CC1 49068431 QAYXQIGTJWPFBG-ZIAGYGMSSA-N 293.432 2.946 0 1 CFAF O=C1NC[C@H](C2CCC2)c2[nH]c(-c3ccncc3)cc21 40835554 DYYSXMWYKAMOKK-CYBMUJFWSA-N 267.332 2.704 0 1 CFAF C[C@H]1CCn2nc(COc3ccccc3)cc2[C@@]1(C)O 299836855 IDISEGHPOUWHMF-LRDDRELGSA-N 272.348 2.709 0 1 CFAF CN1CCc2cc(O)c(N)cc2[C@H](c2ccccc2)C1 299825532 CRJSRJODHRMHOZ-HNNXBMFYSA-N 268.360 2.594 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)CC1(CC3(CSC3)C1)O2 587415492 UBTFWJGIVFVYJU-UHFFFAOYSA-N 275.373 2.808 0 1 CFAF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccnc(O)c3[nH]2)cc1 586887120 HIPWXRGULOPJPU-IINYFYTJSA-N 283.331 2.809 0 1 CFAF CCCc1c(O)ccc2c1O[C@@](CC)(CC(=O)O)CC2=O 587491002 TVSBQQLOWKGHJW-MRXNPFEDSA-N 292.331 2.933 0 1 CFAF Cc1cc2[nH]c(Cc3csc4nccn34)nc2c(C)n1 587040395 KUJXIBDLXYWNKG-UHFFFAOYSA-N 283.360 2.875 0 1 CFAF C[C@H](F)[C@@H](N)c1nc2cccc(Br)c2[nH]1 587126290 WMIQEAHXUPBEJW-YLWLKBPMSA-N 272.121 2.683 0 1 CFAF CCN(CC)Cc1c(C)[nH]c2ccc(S(C)(=O)=O)cc12 587650810 UDGVJDGLAAFFET-UHFFFAOYSA-N 294.420 2.722 0 1 CFAF CN1C=CN(COCc2ccc(F)cc2)C1=CN=O 1857539536 QDJDSDJXENRAGY-UHFFFAOYSA-N 263.272 2.584 0 1 CFAF NCCSc1nc(O)c2sc3ccccc3c2n1 1857606557 SWCALUHYIOEQKU-UHFFFAOYSA-N 277.374 2.601 0 1 CFAF CN(Cc1cc[nH]n1)Cc1cc2cc(F)ccc2[nH]1 19594848 OPRAPIGADQVTFP-UHFFFAOYSA-N 258.300 2.662 0 1 CFAF CN1CC[C@H](C(=O)c2cncc(-c3ccc(F)cc3)c2)C1=O 205747327 KFDOLLRCESNYPO-OAHLLOKOSA-N 298.317 2.549 0 1 CFAF COc1ccc(-c2cccnc2)c2ccc(=O)[nH]c12 26476414 NDCCAYCHWDHDAN-UHFFFAOYSA-N 252.273 2.599 0 1 CFAF O=c1cc(/C=C/c2ccccc2)oc(N2CCOCC2)c1 101076487 ZJOMZZQTJIYOSC-VOTSOKGWSA-N 283.327 2.647 0 1 CFAF in-vivo C[C@@]12CC3CC([C@@H](O)CN4CCOCC4)(C1)C[C@@](C)(C3)C2 101805595 YPJDTIFSLVJTDN-WHRQZHCMSA-N 293.451 2.676 0 1 CFAF Cc1ccc2c(c1)[C@](O)(c1cc(Cl)ccc1O)C(=O)N2 29319229 CSTHMXZFSJYSIO-HNNXBMFYSA-N 289.718 2.542 0 1 CFAF COc1cc2c(cc1C(F)(F)F)[C@@H](C)CNCC2 28119641 VZPBGKYNLKOIBH-QMMMGPOBSA-N 259.271 2.963 0 1 CFAF CCc1ccc2ccn(CCN3CCCN(C)CC3)c2c1 22939929 IWPHDFRPQPDRDY-UHFFFAOYSA-N 285.435 2.841 0 1 CFAF CNC(=O)NC[C@@H]1C[C@H]1c1cccc2c1O[C@H](C(C)C)N2 28223325 LUMLPSQDBFEZGL-JVLSTEMRSA-N 289.379 2.506 0 1 CFAF O=c1cc(CC2CCC2)c2c(O)nc(C(F)F)nc2o1 66074465 SPGWRQGMAGIRPX-UHFFFAOYSA-N 282.246 2.569 0 1 CFAF CONC(=O)Nc1ccc2c(-c3ccncc3)c[nH]c2c1 36338548 XYNMCCVGHHUPIU-UHFFFAOYSA-N 282.303 2.913 0 1 CFAF in-vivo O=C(O)[C@@H]1C[C@H](Cc2cc(Cl)ccc2Cl)CN1 71331194 IYXHCLSDHIRLCA-CPCISQLKSA-N 274.147 2.599 0 1 CFAF Cc1ccc(-c2cc3ncc(CCCO)cn3n2)cc1 40836340 RANBHCMNMCVSDU-UHFFFAOYSA-N 267.332 2.630 0 1 CFAF CNc1ccc(-c2cc3cc(C(N)=O)ccc3o2)nc1F 84759456 OHVYYFKKJXAWCN-UHFFFAOYSA-N 285.278 2.775 0 1 CFAF CC(C)(C)c1cc(NC(=O)CCCN2CCCCC2)[nH]n1 95573436 OGPREQIZGSIMHW-UHFFFAOYSA-N 292.427 2.912 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1occc1C(=O)O)O2 587404444 QJEDVABNLSWLLL-LBPRGKRZSA-N 287.271 2.575 0 1 CFAF CCc1ccc2nc([C@H]3CC(=O)OC3(C)C)[nH]c2c1 586907680 IOMQYQRZGKQCDE-SNVBAGLBSA-N 258.321 2.934 0 1 CFAF c1c[nH]c2nc([C@H]3SCCc4sccc43)nc-2n1 587037007 QEUUMJWIQWAKLO-VIFPVBQESA-N 274.374 2.745 0 1 CFAF O=C(O)[C@@H]1CCc2nc3cccc4c3c(c2CC1)CC4 587215438 NYJFZIDKMQSTEF-NSHDSACASA-N 267.328 2.913 0 1 CFAF COc1cc2[nH]c(-c3c(N)cncc3OC)nc2cc1C 587253630 DZNGIHFCCCHPFU-UHFFFAOYSA-N 284.319 2.533 0 1 CFAF COC(=O)c1cc(-c2[nH]c3c(C(=O)O)cccc3c2C)c[nH]1 587638289 FKDMJAMUWVXXRN-UHFFFAOYSA-N 298.298 2.956 0 1 CFAF COC1=C[C@]2(CC1)CC(=O)c1cc(C)cc(N)c1O2 587402676 GIFJCAOCYKSCMJ-OAHLLOKOSA-N 259.305 2.605 0 1 CFAF C[C@@H](F)[C@@H](N)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587124720 OWBBUUSDEFBPFY-MLUIRONXSA-N 277.221 2.819 0 1 CFAF CCOC(=O)c1nc(-c2ccccc2)oc1N(C)C 3109759 CTZCXFROIRCUCQ-UHFFFAOYSA-N 260.293 2.584 0 3 CFAF Cc1ccnc([C@@]23SCCN2C(=O)c2ccccc23)c1 5931467 XVSJAAVZQFEIFT-MRXNPFEDSA-N 282.368 2.794 0 1 CFAF Cc1ccc(CCN[C@@H]2CCCc3c2ccc(=O)n3C)cc1 13743273 HXQPCYMEBCABSN-QGZVFWFLSA-N 296.414 2.903 0 1 CFAF CCCCCC[C@H]([C@H](C)O)n1cnc(C(=O)NCCC)c1 13821018 YJOXAZJKIQBRBW-DZGCQCFKSA-N 295.427 2.915 0 1 CFAF CN1CCc2onc(-c3ccc(F)c(F)c3)c2C1 15067604 CQZUXTNPKFDJGT-UHFFFAOYSA-N 250.248 2.608 0 1 CFAF O=C(c1cccnc1)N1N=CC[C@@H]1c1ccccc1 3785736 SLVDOKPCWYCNDL-CQSZACIVSA-N 251.289 2.655 0 1 CFAF CCCCN(C)C(=O)Cn1cccc1C(=O)c1ccccc1 6805922 QUIVBILDBOVSMP-UHFFFAOYSA-N 298.386 2.978 0 1 CFAF Cc1ccc2ccc(C(F)(F)P(=O)(O)O)cc2n1 29048002 PVNXWCNHMYXSGF-UHFFFAOYSA-N 273.175 2.770 0 1 CFAF CCOC(=O)[C@@]1(C)CCCCCN1C(=O)c1ccco1 61902837 PFZZHXKJFTWEKD-OAHLLOKOSA-N 279.336 2.618 0 3 CFAF COc1cccc(CNC(=O)c2cc3cc(O)ccc3[nH]2)c1 27551777 CHCDEEJBYZUZEY-UHFFFAOYSA-N 296.326 2.812 0 1 CFAF Cc1ccc2c(=O)c(C(=O)NC3CCC(C)CC3)c[nH]c2n1 28526540 LJEDDMCIFWLERA-UHFFFAOYSA-N 299.374 2.540 0 1 CFAF O=C1Nc2cc(CCc3ccccc3)ccc2C1=O 66251953 OPKIDFCIZKLJMH-UHFFFAOYSA-N 251.285 2.607 0 1 CFAF CC(C)C[C@H](N)c1csc(Nc2cnccn2)n1 61902671 OBSMWWGIEDVDIF-VIFPVBQESA-N 263.370 2.723 0 3 CFAF Nc1ncn(Cc2ccc(Cl)c(Cl)c2)c2ncnc1-2 33814901 BJSREPMPNJHWJE-UHFFFAOYSA-N 294.145 2.715 0 1 CFAF C[C@H]1CC[C@H]2Oc3c(O)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@H]13 40460531 HFSORQLYAOTILI-OXRKTLIDSA-N 285.387 2.697 0 1 CFAF O=C1CS[C@H](c2ccc(F)cc2)N1c1ccccn1 40404360 ZGNRNMZSQXWABI-CQSZACIVSA-N 274.320 2.999 0 1 CFAF CC(C)(C)[C@@H]1CCCc2nc3nc(O)nc(O)c3cc2C1 587561553 JMOQDQXGPHYBCV-SNVBAGLBSA-N 287.363 2.977 0 1 CFAF CC(C)[C@](C)(O)c1nc2cc(F)c(F)c(F)c2[nH]1 586891609 UQSLAZUKSDPGLY-LBPRGKRZSA-N 258.243 2.844 0 1 CFAF Cc1c(-c2nc3cc(CO)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586905391 NLMGTCARLVZCKI-ZDUSSCGKSA-N 298.342 2.993 0 1 CFAF COc1cc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c2cc1C 587248847 FUJLFMWAMWQUAX-UHFFFAOYSA-N 297.314 2.827 0 1 CFAF Clc1ncc2nc(-c3cnc(Cl)s3)nc-2[nH]1 587023625 RTQRWFYWKWBQSQ-UHFFFAOYSA-N 272.120 2.735 0 1 CFAF COC(C)(C)C1=CC[C@@](C)(O)[C@H]2CC[C@](C)(O)[C@H]2C1 1857584348 ZHKAXYYGLZOVEH-UGQVUOCMSA-N 268.397 2.660 0 1 CFAF Nc1nc(N)c(-c2c[nH]c3ccccc23)c(C2CC2)n1 1772571233 KVMGHEGICPHZIT-UHFFFAOYSA-N 265.320 2.667 0 1 CFAF O=C(Nc1n[nH]c2nc(-c3cccc(O)c3)ccc12)C1CC1 12354843 AXWDQRXGOKDXJT-UHFFFAOYSA-N 294.314 2.679 0 1 CFAF c1ccc(CN2CCN=C2Cc2cccnc2)cc1 13487910 BAFTWOGRWKGOHB-UHFFFAOYSA-N 251.333 2.538 0 1 CFAF O=C1Nc2ccc(-c3cccnc3)nc2/C1=C/c1ccc[nH]1 13538913 AUUYHRKPCXZEOJ-LCYFTJDESA-N 288.310 2.964 0 1 CFAF CC(=O)CC[C@H]1CC(=O)[C@@H](C)CCC(=O)OC1(C)C 2356406167 OWFVOAAGKLGICH-JQWIXIFHSA-N 268.353 2.683 0 1 CFAF CC[C@]1(C)SC(NC23C[C@H]4CC2C[C@@H](C4)C3)=NC1=O 100404233 NKXZODWCNYSDGW-ASYVDDNRSA-N 278.421 2.953 0 1 CFAF CC(=O)O[C@@H](C(=O)Cc1c[nH]c2ccccc12)C(C)C 64512767 JPHYKCBNYFYLPX-MRXNPFEDSA-N 273.332 2.867 0 1 CFAF CCCc1[nH]c(=O)[nH]c1C(=O)c1ccc(SC)cc1 29249977 PMJWAYOVNSCUOT-UHFFFAOYSA-N 276.361 2.608 0 1 CFAF COc1cccc(-c2cccn(Cc3[nH]cnc3C)c2=O)c1 26984066 ZXJPNKMRORCNPN-UHFFFAOYSA-N 295.342 2.604 0 1 CFAF CC=C(C[C@@](O)(CC)CCCC)[C@@H](O)CC(=O)OCC 2356538815 RKEPFFPHCGFVOF-GOEBONIOSA-N 286.412 2.968 0 1 CFAF Nc1ccc2cccc(OCCNCc3ccoc3)c2n1 28387045 HUQCNTOGNFTMPB-UHFFFAOYSA-N 283.331 2.579 0 1 CFAF COc1ccc2c(c1)[C@]13CCN(C)[C@H](C2)[C@@H]1C[C@H](C)C(=O)C3 29216560 ZLXURWCZUPCRCD-SPVIKVHDSA-N 299.414 2.808 0 1 CFAF CC(C)(C)c1ccc(-c2cnc(N)cn2)c(F)c1O 212134872 DLAVDHFXSNKQSJ-UHFFFAOYSA-N 261.300 2.868 0 1 CFAF CCCCNc1nc(N2CCSCC2)ncc1C 82201731 ZBJGYGUMMFQRNT-UHFFFAOYSA-N 266.414 2.550 0 1 CFAF Cc1coc2c1[C@H](O)[C@@]1(C)[C@H](C)[C@H](O)CC[C@@H]1C2 85767313 JWKRZHJQYDUUNQ-UPYBOPHASA-N 250.338 2.591 0 1 CFAF endogenous,in-man NC[C@H]1C[C@@H]1c1cc(Cl)c(F)cc1OCCF 653715001 VDLBSMJQDHUJPK-SFYZADRCSA-N 261.699 2.890 0 1 CFAF Nc1cccc(-c2nc3c(Cl)ccnc3[nH]2)c1C(=O)O 587248096 CRAGUMVXURMBMO-UHFFFAOYSA-N 288.694 2.559 0 1 CFAF CC(=O)c1ccc2nc([C@@H]3CC(=O)OC3(C)C)[nH]c2c1 586906814 FHKMACXIQSBYGM-JTQLQIEISA-N 272.304 2.575 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN3CCCC[C@@H]31)O2 587396292 YIQONAUPTUBWEK-WBVHZDCISA-N 286.375 2.539 0 1 CFAF COc1ccc2[nH]c(-c3ccc(N(C)C)cn3)nc2c1 587194360 FDCVKAJQFCYHHU-UHFFFAOYSA-N 268.320 2.700 0 1 CFAF Oc1nc(O)c2ccc(-c3ccc4c(c3)CCCC4)nc2n1 587562049 OAWAXGCEAWZZMM-UHFFFAOYSA-N 293.326 2.982 0 1 CFAF CCC[C@@]1(C(=O)OCC)CC(=O)c2cc(C)cc(N)c2O1 587401396 WMDZKPYLBAKQSC-INIZCTEOSA-N 291.347 2.644 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccns1)O2 587414821 OUQGQTXZJWMVKV-NSHDSACASA-N 260.318 2.740 0 1 CFAF Cc1oc(-c2cccc(Cl)c2)nc1C[C@H](N)N=O 957601959 GTNLQHXAMHVFCQ-LLVKDONJSA-N 265.700 2.897 0 1 CFAF CCCC(=O)N1CCC(c2cc(Cl)ccc2N)=N1 13584763 DIUFCNOVAMKQSK-UHFFFAOYSA-N 265.744 2.659 0 1 CFAF COc1c(O)c(OCC=C(C)C)cc2oc(=O)ccc12 14776090 ATIITRNRFHDSPJ-UHFFFAOYSA-N 276.288 2.852 0 1 CFAF NC(=S)c1ccc(OC(=O)/C=C/c2ccccc2)cc1 1857762727 FWXKXPUONIGOAO-IZZDOVSWSA-N 283.352 2.940 0 1 CFAF O=c1oc(OCc2ccccc2)nc2ccccc12 22779 XGGBVRLLWXYLJS-UHFFFAOYSA-N 253.257 2.767 0 1 CFAF O=c1ccc2ccc(CNCCNc3ccccc3)cc2o1 2003124 RNNKCHJUBXFBQB-UHFFFAOYSA-N 294.354 2.995 0 1 CFAF in-vivo C[n+]1ccc2c(c1)[nH]c1ccc(O)c(Br)c12 3870824 UWBLOZFYNVSKIM-UHFFFAOYSA-O 278.129 2.614 0 1 CFAF COc1cc2c(cc1-c1cnco1)C(=O)N(C)C(C)(C)N2 3942438 ILQYAJBFYVTASH-UHFFFAOYSA-N 287.319 2.584 0 1 CFAF Cc1cc2occ(-c3csc(C)n3)c(NN)c-2c(=O)c1 6404177 DAPQIBCTAYWPNI-UHFFFAOYSA-N 287.344 2.771 0 3 CFAF COCCCNc1[nH]cnc2c3ccccc3nc1-2 102535470 PCXDXBCRQBYYTD-UHFFFAOYSA-N 256.309 2.511 0 1 CFAF Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)c1 101118619 ANWBTHZJZAMBJU-GBOPCIDUSA-N 267.328 2.615 0 1 CFAF O=C(OC1C[C@H]2CC[C@H](C1)N2)c1c[nH]c2ccccc12 101509820 LCAGVMWMARLFPS-GHMZBOCLSA-N 270.332 2.608 0 1 CFAF O=C(O)C1=Cc2sc(CCn3ccnc3)cc2CC1 28262971 MQKHKVMRMOULIA-UHFFFAOYSA-N 274.345 2.602 0 1 CFAF CC(C)=CCC/C(C)=C/C(=O)NCCCN1CCCC1=O 38639203 ZCJUTEWJGWOIAT-FYWRMAATSA-N 292.423 2.808 0 1 CFAF COc1ccc2c(c1)O[C@@H]1[C@@H]3C=C[C@H](OC)C=C3OC[C@@H]21 2356653049 YVFBXUBMCJCKQZ-FSLVRNTJSA-N 286.327 2.655 0 1 CFAF CNC[C@H](O)[C@H](c1ccccc1)c1ccc(C)cc1 39245460 JJBATQZWEQQLMU-DLBZAZTESA-N 255.361 2.707 0 1 CFAF COC(=O)CCn1nc2sc3ccccc3n2c1=S 96927374 UWZVRKGKVARPEX-UHFFFAOYSA-N 293.373 2.643 0 1 CFAF COc1nccc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c12 586905793 CFYRIDHUJDWRKA-WQLSENKSSA-N 293.282 2.635 0 1 CFAF COC(=O)[C@@H]1c2nc3cccc4c3c(c2C[C@H]1C)CC4 587213405 IFOZCVQKXKEBJM-OTYXRUKQSA-N 267.328 2.782 0 1 CFAF CC(=O)CCC[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587403394 LQPYZAWEOKJVQA-NSHDSACASA-N 261.321 2.670 0 1 CFAF Nc1cc2nc(-c3ccc(OC(F)F)cc3)[nH]c2cc1N 587131138 ZJBBTBURMCSZEC-UHFFFAOYSA-N 290.273 2.996 0 1 CFAF c1cnc2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2c1 587016400 LAGOVLKXNFIZQV-JTQLQIEISA-N 272.333 2.933 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1n[nH]cc1Cl)O2 587380959 YVWKYUUFXLYPHJ-NSHDSACASA-N 277.711 2.660 0 1 CFAF COc1cncc2nc(-c3ccc(F)c(F)c3)[nH]c12 587145740 QZGGVGDXIHKWOR-UHFFFAOYSA-N 261.231 2.912 0 1 CFAF Cc1ccnc2c1CCN[C@@]2(C)c1coc(C(C)C)n1 963071376 RJPWNDYLFNWOKF-INIZCTEOSA-N 271.364 2.911 0 1 CFAF COC(=O)Cc1cccc2c(=O)cc(-c3ccccc3)[nH]c12 13537673 DGOMBTOVSZQRNH-UHFFFAOYSA-N 293.322 2.911 0 1 CFAF NC(=O)c1[nH]cnc1-c1cccc(-c2ccccc2)c1 14960920 XCHBCGDXDAWBKI-UHFFFAOYSA-N 263.300 2.843 0 1 CFAF C/C(=C\CO)CCC[C@@](C)(O)CCCC(C)(C)O 15214239 CLCHLTGVDVMBRQ-XETPBLJFSA-N 258.402 2.788 0 1 CFAF CCO[C@@]12CC[C@@H]3C[C@@H]4CC[C@@](OCC)(O1)[C@@H]4[C@@H]32 17259539 SORQIKMJIKCAHH-LEYGVYNDSA-N 252.354 2.938 0 1 CFAF O=C1NCCc2nc(OCc3ccc(Cl)cc3)ccc21 169329924 XUIQAYGKNHNRCZ-UHFFFAOYSA-N 288.734 2.600 0 1 CFAF N#Cc1ccc(-c2cncc3c2CCC[C@H]3O)cc1 205706807 CRBUYSNYWXOHBE-MRXNPFEDSA-N 250.301 2.990 0 1 CFAF Cn1c(O)nc2cc(OCCc3ccccc3)ccc21 1857613481 BBJTWAKHJVOHEA-UHFFFAOYSA-N 268.316 2.900 0 1 CFAF CN(C)C[C@@H]1CCCN1C12CC3CC(CC(C3)C1)C2 26991180 CPLZORFTTIXMJP-KLZNEWFBSA-N 262.441 2.981 0 1 CFAF CNC(=S)NCc1sc2ccccc2c1C 172501 ZBHISEQXYAVBCG-UHFFFAOYSA-N 250.392 2.804 0 1 CFAF C[C@@H]1[C@@H](O)CCC(C)(C)[C@]12CC=C(C(=O)O)CC2 2356462912 ITRPDIHLZQSHRU-GMXABZIVSA-N 252.354 2.985 0 1 CFAF O=C(O)CC1(c2ccc(F)cc2)[C@H]2CCC[C@H]1COC2 101450657 UEEXLIOOVWMWCE-STQMWFEESA-N 278.323 2.985 0 1 CFAF O=c1sc(Nc2cccc(Cl)c2)nc2[nH]ncc12 103214783 KOPHHOYHLXKSJI-UHFFFAOYSA-N 278.724 2.777 0 1 CFAF COC(=O)CC=C(C)C1=C(C)CC[C@@H]2[C@H](C)C(=O)O[C@@H]12 2356474625 YVXVQMWUXKMTIT-YWPYICTPSA-N 278.348 2.784 0 1 CFAF CCCN(C)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3 118734287 VUZSDNRYBLPBFC-UHFFFAOYSA-N 285.391 2.728 0 1 CFAF O=C(NCCc1ccc(O)cc1)c1cc2cc(O)ccc2[nH]1 27551723 CMWQAVAGNOFRMR-UHFFFAOYSA-N 296.326 2.552 0 1 CFAF COC(=O)C1=C2[C@@](C)(CCC[C@@]2(C)C(N)=O)c2ccccc21 2356723497 KYJCGCPXRNIZAE-ZWKOTPCHSA-N 299.370 2.560 0 1 CFAF Cc1nc[nH]c1-c1c(-c2ccccc2)ncn1[C@H]1CCNC1 67784663 KWSLYNKVCIIAOH-AWEZNQCLSA-N 293.374 2.783 0 1 CFAF O=C1CC[C@]2(c3ccc(F)cc3)Nc3ncccc3N12 31840374 OPSPNCQZCKHLHN-HNNXBMFYSA-N 269.279 2.626 0 1 CFAF CC(=O)NCCc1ccc(O)cc1-c1cccc(F)c1 219121736 OBEOKBVVYANUCF-UHFFFAOYSA-N 273.307 2.877 0 1 CFAF N=C(N)c1ccc(-c2nc3ccc(N)cc3s2)cc1 45365319 NOPXTQWCZDTWCK-UHFFFAOYSA-N 268.345 2.830 0 1 CFAF CC(=O)NCCc1c(C)[nH]c2cc(Cl)ccc12 87722596 JORYPCVRDWFJFB-UHFFFAOYSA-N 250.729 2.808 0 1 CFAF CC(C)N(C)c1ccc2[nH]c(=O)c(-c3ccccc3)nc2n1 82231486 MHPVRTXOZWKOHK-UHFFFAOYSA-N 294.358 2.830 0 1 CFAF O=C1C[C@]23C[C@]14CCCN1CC[C@H]([C@H]2c2ccccc2N3)[C@@H]14 238776236 KQOTZCMTYZMKDE-PYJZQUQOSA-N 294.398 2.782 0 1 CFAF Cn1cnc2cc(-c3nc4ccc(F)nc4o3)ccc21 95558218 GPULSPBSBFOGAR-UHFFFAOYSA-N 268.251 2.916 0 1 CFAF N[C@@H](c1nc2cccc(C(F)(F)F)c2[nH]1)C1CC1 587255753 PZKJUPWBYBJALA-SECBINFHSA-N 255.243 2.992 0 1 CFAF COc1ccc(-c2nc3ccnc(OC)c3[nH]2)c(OC)c1C 587788227 RSJOPESNLZMNOF-UHFFFAOYSA-N 299.330 2.959 0 1 CFAF COc1ccc(Cc2nc3ccnc(OC)c3[nH]2)cc1OC 587926162 JOVBQKGEKKICOO-UHFFFAOYSA-N 299.330 2.575 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1ccncc1F)[C@@H](C2)C3=O 587426799 FUNXXJHYWKWNMY-SJCJKPOMSA-N 299.301 2.892 0 1 CFAF Clc1ccc(C2=C[C@@H](c3nc4cnncc4[nH]3)ON2)cc1 587076756 OSZJAIOISZCGJF-ZDUSSCGKSA-N 299.721 2.623 0 1 CFAF COC(=O)c1cccc2nc([C@@H]3C[C@@H](C)CCO3)[nH]c12 586917594 SQTSCULFINSUDG-CABZTGNLSA-N 274.320 2.837 0 1 CFAF O[C@@H]1C[C@H](c2nc3cnc(Cl)[nH]c-3n2)c2ccccc21 586903837 QKBWIQMWAVTGCS-GXSJLCMTSA-N 286.722 2.527 0 1 CFAF Cc1cc(C)c2[nH]c(Cc3ccc(=N)[nH]c3)nc2c1 587255130 YZRHIUDQEFEGMA-UHFFFAOYSA-N 252.321 2.578 0 1 CFAF c1ccn2c3c(nc2c1)CCN[C@]31CCc2sccc21 962984799 NSLVIVSZBDWFBI-INIZCTEOSA-N 281.384 2.731 0 1 CFAF CCOP(=O)(OCC)[C@@H]1C[N@@]1Cc1ccco1 1857622861 KTPPXAYMISNBOE-VXGBXAGGSA-N 259.242 2.687 0 1 CFAF O=C(O)c1ccnc(-c2cn(Cc3ccc(F)cc3)cn2)c1 218261398 TYQVGBHPIVDCJP-UHFFFAOYSA-N 297.289 2.831 0 1 CFAF Oc1ccc2c(c1)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 1857574895 UXTXSJBQPGSGMT-INIZCTEOSA-N 295.338 2.776 0 1 CFAF N[C@H](Cc1cc(Cl)cc(-c2cccc(O)c2)c1)C(=O)O 1857639025 BVVVTCHBCLYRTJ-CQSZACIVSA-N 291.734 2.667 0 1 CFAF Oc1ccc(CNC[C@H]2CCc3ccc(O)cc3O2)cc1 13775976 COAJRUUAHDYFLT-MRXNPFEDSA-N 285.343 2.581 0 1 CFAF O=C1OC(c2ccccc2)=N[C@@]12C[C@@H]2c1ccccc1 3633142 ULXGGSMQBXPSTH-RHSMWYFYSA-N 263.296 2.916 0 1 CFAF Cc1c(CCC(=O)O)c[nH]c1/C=C1\C(=O)Nc2ccccc21 3834038 XZLCDAKBNFQCMU-JYRVWZFOSA-N 296.326 2.833 0 1 CFAF CCN1CC(=O)N(c2cc(Cl)ccc2C)C(=S)C1 27749807 VECMJLPQRPUGNJ-UHFFFAOYSA-N 282.796 2.644 0 1 CFAF CCc1c(C)nc2cc(-c3ccccc3)[nH]n2c1=O 103921411 QGBYDNIXTOXVOR-UHFFFAOYSA-N 253.305 2.560 0 3 CFAF OCC[C@]12N[C@](Cl)(Cc3ccccc31)c1ccccc12 27887676 ZWRILTPIEXZOMR-DLBZAZTESA-N 285.774 2.864 0 1 CFAF CCCCN1N=C2c3ccccc3CC[C@@H]2CC1=O 103301583 YJJZWSQQAQBKDF-CYBMUJFWSA-N 256.349 2.986 0 1 CFAF C[C@H]1[C@H]2Cc3cc4nn[nH]c4cc3[C@@]1(C)CCN2CC1CC1 101230023 VKWYVNKUABAQRG-PDSMFRHLSA-N 296.418 2.892 0 1 CFAF CCCC(=O)N1CC[C@]1(C)C(=O)Nc1ccc(C)cc1 61926568 HDFGGMJQMWIYRH-MRXNPFEDSA-N 274.364 2.725 0 3 CFAF O=c1cc(-c2ccncc2)nc(NC2CCCCC2)[nH]1 63298397 FAIHBCXQSBIRIL-UHFFFAOYSA-N 270.336 2.577 0 1 CFAF O=C(COc1cnnn1-c1ccccc1)c1ccccc1 49792978 NFBZAZXCZDAVSL-UHFFFAOYSA-N 279.299 2.529 0 1 CFAF in-vivo C=C(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2)c1ccccc1 238743097 RDIVNYCOUBHXRH-FICVDOATSA-N 257.333 2.526 0 1 CFAF CCCC[n+]1cccc2c1CC[C@@H]1CC[C@H](O)C[C@H]21 253697666 FVGWACKJRIODEP-DZKIICNBSA-N 260.401 2.965 0 1 CFAF COC(=O)[C@@H]1C=C[C@@H](C)[C@H](CCOc2ccccc2)O1 299813738 SJURJHVQPGUJTI-SNPRPXQTSA-N 276.332 2.588 0 1 CFAF O=Cc1ccc(OCCc2nc3ccc(O)cc3[nH]2)cc1 587566742 YAMXRWFAGNAUTG-UHFFFAOYSA-N 282.299 2.703 0 1 CFAF c1cc2c(s1)CCS[C@@H]2c1nc2cnncc2[nH]1 587036656 IQMRGGYXEJBTNH-NSHDSACASA-N 274.374 2.793 0 1 CFAF CCC(=O)[C@]1(CC)CC(=O)c2cc(C)cc(N)c2O1 587403158 KHXMQMWNNATGBL-HNNXBMFYSA-N 261.321 2.670 0 1 CFAF COc1cc2nc(CC[C@@H](C)CC(=O)O)[nH]c2cc1OC 587962340 DXUMZYSUVMHNRD-SECBINFHSA-N 292.335 2.624 0 1 CFAF O=C(O)c1ccnc(-n2nccc2-c2cccc(F)c2)c1 146768759 QKDWURZWFKZKLH-UHFFFAOYSA-N 283.262 2.772 0 1 CFAF CCN1c2ccc(C(=O)O)cc2N(C)C(=O)c2cccnc21 5842773 PXDJPHPFHABUBU-UHFFFAOYSA-N 297.314 2.528 0 1 CFAF Oc1ccc2c(c1)C[C@@H]1Oc3cc(O)ccc3N=C21 12353744 BBAHLFZPNXNEGK-AWEZNQCLSA-N 253.257 2.536 0 1 CFAF Fc1ccc(Nc2n[nH]c3cncnc23)cc1Cl 167037215 UUINECAPKISUQC-UHFFFAOYSA-N 263.663 2.889 0 1 CFAF CCCc1c(=O)[nH]c(C)c2cc(OC)c(OC)cc12 28768152 SOIFZWHYVKHNMB-UHFFFAOYSA-N 261.321 2.806 0 1 CFAF Cc1cccc(N(C)c2cc(C)nc3ncnn23)c1 2499445 ULUXBLWNVJTVPR-UHFFFAOYSA-N 253.309 2.509 0 3 CFAF Nc1nc(-c2cc(Cl)ccc2Cl)c(Cl)c(=O)[nH]1 3653783 UNRBSAZKTYZIIK-UHFFFAOYSA-N 290.537 2.979 0 1 CFAF CN1C(=O)[C@H]2O[C@@H](c3ccccc3)[C@H]1[C@H]2c1ccccc1 100827039 QVGJMLNUOQHRAS-NCOADZHNSA-N 279.339 2.751 0 1 CFAF endogenous,in-man CC(/C=C/CCC(=O)N1CCCC1=O)=C\[C@@H]1CCCCO1 103244160 MQFDZDSLEBWGRN-VKSPKQNVSA-N 291.391 2.987 0 1 CFAF CC(C)C[C@@H](N)c1csc(Nc2cnccn2)n1 61902672 OBSMWWGIEDVDIF-SECBINFHSA-N 263.370 2.723 0 3 CFAF O=C(Cc1ccccc1)Nc1ccc([C@H]2CCNC2)cc1 117729389 RZQDZWVRMZKIOE-INIZCTEOSA-N 280.371 2.945 0 1 CFAF CC(=O)OC=C(C)[C@@H]1CC[C@H](C)C1=COC(C)=O 2356543803 XWSAKQNRGFHFHM-ZANVPECISA-N 252.310 2.946 0 1 CFAF CC1=C2[C@@H]([C@@H](O)C1)[C@H](C)CC[C@@H]2/C=C(\C)C(=O)O 33954514 XJNQXTISSHEQKD-WJHXKPNSSA-N 250.338 2.761 0 1 CFAF in-man Cc1ccc(C2=NCCN=C(NC(C)(C)C)C2)cc1 36270473 XRYRRFJTLIBNTP-UHFFFAOYSA-N 257.381 2.974 0 1 CFAF COc1ccc(C(=O)Oc2cncc(Cl)c2)cc1 40893532 IRSOERFINQXWJJ-UHFFFAOYSA-N 263.680 2.963 0 1 CFAF COc1ccc(/C=C2\C[C@@]3(OC(C)=O)CCCN2C3)cc1 96018858 MIOZCNWUNZBJMR-OBHPCNEJSA-N 287.359 2.838 0 3 CFAF CCOC(=O)[C@H]1Nc2ccccc2Cn2cccc21 96908755 FXERVFAJEAEPCP-AWEZNQCLSA-N 256.305 2.566 0 1 CFAF Cc1ncsc1[C@@H](c1ccccc1)n1ccnn1 95557046 SBSDBRZSVWGFOM-GFCCVEGCSA-N 256.334 2.681 0 1 CFAF O=C1Nc2ccccc2C[C@]12CCCN2Cc1ccccn1 299849856 FZDHCWCDHGGYDP-GOSISDBHSA-N 293.370 2.611 0 1 CFAF CCN1c2cc(-c3c(C)n[nH]c3C)ccc2C(=O)NC1(C)C 653856183 DUTODZZHAPKLHS-UHFFFAOYSA-N 298.390 2.999 0 1 CFAF O=C1COc2ccccc2[C@@H]2CC(c3ccc(F)cc3)=NN12 653700261 HLKVMVWEWMUYOV-HNNXBMFYSA-N 296.301 2.896 0 1 CFAF O=C(O)/C=C/C=C\c1nc2cnc(C(F)(F)F)cc2[nH]1 587967002 FTMXVLJILTUFDN-HSFFGMMNSA-N 283.209 2.631 0 1 CFAF COc1cc2[nH]c(-c3ccc(Br)o3)nc2cn1 587006779 OWPFNNODNFDJGG-UHFFFAOYSA-N 294.108 2.989 0 1 CFAF CC[C@@]1([C@@H]2CCCNC2)CC(=O)c2cc(C)cc(N)c2O1 587399343 IKFVNJMVUMHRCI-PXAZEXFGSA-N 288.391 2.691 0 1 CFAF Cc1cccc(OCc2nc3cc[nH]c(=N)c3[nH]2)c1C 587564181 MQSJGNKWZDQUSC-UHFFFAOYSA-N 268.320 2.566 0 1 CFAF CCOC(=O)CC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874238 YXUWQLZLOVTKRH-UHFFFAOYSA-N 290.250 2.388 0 1 CFAF NC(=O)c1ccc2[nH]c(-c3ccc(CN=O)cc3)nc2c1 587190235 LFTGDUHDVFTKKG-UHFFFAOYSA-N 280.287 2.595 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1ccoc1)[C@@H](C2)C3=O 587447885 ABUBYSRHSKUWKJ-BLLLJJGKSA-N 270.284 2.951 0 1 CFAF COc1ccc2oc(=O)cc(-c3ccc(OC)nc3)c2c1 1772658145 VQJBIMSBWJFRBZ-UHFFFAOYSA-N 283.283 2.872 0 1 CFAF CC(=O)C[C@@H]1C=CC[C@@H](C[C@H](O)c2ccccc2)N1C 5707477 XPKBUMWSRMMYSD-ULQDDVLXSA-N 273.376 2.718 0 1 CFAF O[C@H]1C[C@H]2CCCN(CCc3c1[nH]c1ccccc31)C2 5922547 RKGINSSVMLCQKI-WBMJQRKESA-N 270.376 2.860 0 1 CFAF CC(C)NC[C@H](O)CO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 11617109 IXLSSBPTUXEGSB-CAOSSQGBSA-N 271.445 2.823 0 1 CFAF Cc1ccc(Nc2cncc(N3C[C@@H]4C[C@H](C3)N4)c2)cc1 1857749368 JNFVNWDQFKSBOK-IYBDPMFKSA-N 280.375 2.684 0 1 CFAF c1ccc(-c2nnn(-c3cccc(-c4ccco4)c3)n2)nc1 28386524 DVCFQBZXRPQNDY-UHFFFAOYSA-N 289.298 2.984 0 1 CFAF CC1=C(/C=C/c2cc(NN)nc(N)n2)C(C)(C)CCC1 28712577 ZWDLEPKSXCHANM-VOTSOKGWSA-N 273.384 2.884 0 1 CFAF Cc1ccc(=O)n(-c2ccc(OCCN3CCCC3)cc2)c1 103233171 LPRHUSLQCRNFJY-UHFFFAOYSA-N 298.386 2.621 0 1 CFAF Cc1cc(=O)oc2cc(OCCCCn3cncn3)ccc12 66073867 KPHKIPNDVJAQJG-UHFFFAOYSA-N 299.330 2.552 0 1 CFAF c1ccc(CCc2cn(-c3ccc4[nH]ncc4c3)nn2)cc1 66098997 VFGWASLDLFTQPZ-UHFFFAOYSA-N 289.342 2.929 0 1 CFAF COc1cccc(Nc2nc([C@@H](N)C(C)C)cs2)n1 61928673 SBJXWYNFIYTEBW-LBPRGKRZSA-N 278.381 2.946 0 3 CFAF CNC(=O)c1sc(-c2ccc(Cl)cc2)nc1C=O 71297119 VCBLYFQXWZQUQN-UHFFFAOYSA-N 280.736 2.636 0 1 CFAF CCOC(=O)SCC(=O)c1ccc(OC)cc1 34486745 SABHFVXDKFDQPI-UHFFFAOYSA-N 254.307 2.768 0 1 CFAF CN1CC[C@]2(C1)Oc1ccccc1[C@H]2n1cccc1 40723430 WMBAOQGKEFYPIH-HZPDHXFCSA-N 254.333 2.544 0 1 CFAF Cc1ccc(-n2nccc2-c2ccnc(NC(N)=O)c2)cc1 144511090 FEAWMYRPBWYWEY-UHFFFAOYSA-N 293.330 2.733 0 1 CFAF C[C@H]1C[C@H]2CCC[C@@H]3N4C(=O)CCC[C@@H]4C[C@@H](C1)N32 238749622 IWSJXTCXZSUCNS-JARUQAPTSA-N 262.397 2.750 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C[C@@H]1CCCO1)O2 587413961 UPOUXINWAFXHLE-MEDUHNTESA-N 275.348 2.870 0 1 CFAF C[C@@H](c1nc2cc3cn[nH]c3cc2[nH]1)n1cc(Cl)cn1 587081809 GNGMJLTZKLMVFY-ZETCQYMHSA-N 286.726 2.898 0 1 CFAF CC(C)C[C@@H](C)Cc1ccc2c(O)nc(O)nc2n1 587561302 NORKXMNZNQJQTN-SECBINFHSA-N 261.325 2.661 0 1 CFAF CNCCN1CCC(OCc2ccc(Cl)cc2)CC1 1772643553 FOPJHWSUFHQCBW-UHFFFAOYSA-N 282.815 2.540 0 1 CFAF C[C@H]1CCCCC[C@@H]2CC(=O)C[C@@H]2C(=O)CCC(=O)O1 5851350 VFPKFXHONKRPFZ-SCRDCRAPSA-N 280.364 2.827 0 1 CFAF CCC/C=C/[C@@H]1CC(=O)c2c(CC(=O)O)cc(O)cc2O1 13371302 ARPNPDSBSVFTDI-ZYOFXKKJSA-N 290.315 2.709 0 1 CFAF c1ccc(C[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2NC2=NCCO2)cc1 13807973 NUMRIDYCRYHYHT-FXUDXRNXSA-N 270.376 2.620 0 1 CFAF COC(=O)/C=C/[C@H]1[C@@H](c2ccccc2)C[C@@H]2CC[C@@H]1N2C 169320123 OMLSVYSQLRWXNO-JOLGFIIXSA-N 285.387 2.982 0 1 CFAF NC(=S)c1cccc(-c2cccc3c2ccn3CO)c1 1857604412 WYYQFXDITFSSBZ-UHFFFAOYSA-N 282.368 2.892 0 1 CFAF C[C@@H]1CC[C@H]2CC3=C(C(=O)O)[C@@H](O)C[C@]31C2(C)C 2356376222 OYBOOQVHULBBQW-HHFXWNNXSA-N 250.338 2.595 0 1 CFAF CC[C@@H](O)CCCC[C@H]1OC(=O)Cc2cc(O)cc(O)c21 2356425470 FGSIJRAQWLXFRU-BXUZGUMPSA-N 294.347 2.570 0 1 CFAF C[C@@H]1N(c2ccc(C#N)c(Cl)c2)CC[C@]1(C)O 118796201 PCODDYHHQZPAJY-ZANVPECISA-N 250.729 2.561 0 1 CFAF CNC(=O)N(C)[C@H]1c2ccccc2Sc2ncccc21 28015543 CJHFAIHPZPFUAH-ZDUSSCGKSA-N 285.372 2.907 0 1 CFAF Cc1cc2c(cc1O)C(=O)N1CCC3=CCC=C2[C@H]31 2356708971 JYFFGVCTWGEULW-HNNXBMFYSA-N 253.301 2.642 0 1 CFAF CCNC[C@@H]1COC2(CCC(C(C)(C)C)CC2)O1 2356810031 AUYSPPNVFQBFHX-JVWICGRDSA-N 255.402 2.944 0 1 CFAF COc1cc(/C=C/C(=O)OCC(C)C)ccc1O 33966978 FAVYLFQVVWIFPZ-FNORWQNLSA-N 250.294 2.613 0 1 CFAF Cc1ccc(N2C(=S)SC[C@]23COC(=O)C3)cc1 71341686 QGPOKRRBSAOUFN-ZDUSSCGKSA-N 279.386 2.519 0 1 CFAF C[C@H](c1c[nH]c2ccccc12)[C@@H]1SC(N(C)C)=NC1=O 32139462 GGLZJDHKYZZWPG-RNCFNFMXSA-N 287.388 2.831 0 1 CFAF CC1(C)O[C@@]2(C3CCCCC3)CC[C@@H]1[C@](N)(CCO)C2 85543320 SKKFNEGRUYTVLA-XIRDDKMYSA-N 281.440 2.994 0 1 CFAF biogenic,in-vitro CN(CCC(=O)c1nccs1)Cc1ccccc1 45388492 WTFXEQDLJXEOQS-UHFFFAOYSA-N 260.362 2.848 0 1 CFAF Cc1nnc(SCCNc2cc(C3CC3)ncn2)s1 91737724 CYQSXVKUZXBJPF-UHFFFAOYSA-N 293.421 2.718 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(F)nc1)O2 587387996 YJZQNXMZLVXLBV-INIZCTEOSA-N 286.306 2.992 0 1 CFAF CCCc1sc(=N)[nH]c1-c1nc2cncc(C)c2[nH]1 587012310 AGQUSPNNGFYHSF-UHFFFAOYSA-N 273.365 2.755 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](c1cnn(C)c1)CC2=O 587475318 MBOXQBGPYNXSTN-HNNXBMFYSA-N 286.331 2.785 0 1 CFAF O=C1C[C@@](C(=O)O)(C2CC2)Oc2c1ccc1c2CCCC1 587529175 KJXGUKGEEVXCSI-KRWDZBQOSA-N 286.327 2.764 0 1 CFAF Cc1ccc(C)c2[nH]c(CNC(=O)c3cscn3)nc12 587027329 BARWKPONMYWONX-UHFFFAOYSA-N 286.360 2.566 0 1 CFAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cnnc(O)c2[nH]1 587932763 ZIAQWSWARWBLFL-MGPLVRAMSA-N 296.330 2.512 0 1 CFAF COc1cccc(-c2nc3cncc(C)c3[nH]2)c1O 587786211 IYGMDVWBZQFHKV-UHFFFAOYSA-N 255.277 2.648 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(O)ccc1N)O2 587392465 ZSGGSOVHIPNJLA-KRWDZBQOSA-N 298.342 2.746 0 1 CFAF C=Cc1cnc2nc(O)n([C@@H](C)c3ccccc3)c2n1 114952427 NDZAPLNYXZLOQS-JTQLQIEISA-N 266.304 2.784 0 1 CFAF O=c1ccc2cc(CNCCNc3ccccc3)ccc2o1 13800759 QNIJRVDPYPXNOA-UHFFFAOYSA-N 294.354 2.995 0 1 CFAF Cc1cc(NC(C)C)n2nc(-c3ccccc3)nc2n1 14610185 IAKDUWIEFWXNAD-UHFFFAOYSA-N 267.336 2.920 0 1 CFAF COc1c(C)cc2c(c1O)[C@H](C)CC(=O)[C@@]2(O)C(C)C 14777170 UVNPJKFWGLZXDE-JDNHERCYSA-N 278.348 2.629 0 1 CFAF COc1c(-c2ccc(O)cc2)oc2cccc(O)c2c1=O 27854675 QDOUUXCKPIXLGJ-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF N[C@@H](c1ccccc1)c1cccc(CCN2CCOCC2)c1 29405881 IQLGZGZESASNRC-IBGZPJMESA-N 296.414 2.609 0 1 CFAF O=C1NC2(CCCCCC2)[C@H]2CCCCCC[C@@]12O 1620276 RHKYNGKMJNUJKI-CJNGLKHVSA-N 265.397 2.911 0 1 CFAF N[C@@H]1CCN(CCOc2ccc(Cc3ccccc3)cc2)C1 22941706 ADWJHAQDNNETPC-GOSISDBHSA-N 296.414 2.689 0 1 CFAF CCN1CCC(=O)N(c2ccc(C)cc2C)C1=S 27755690 PIZMEOMUDVLSCE-UHFFFAOYSA-N 262.378 2.647 0 1 CFAF c1ccc2c(c1)N[C@@H]1CC[C@@H]3[C@H]4CCO[C@@]35N(CC4)CC[C@]215 2356647776 VXULHDGVSWUSAZ-ACJWMLNOSA-N 296.414 2.971 0 1 CFAF O=Cc1c[nH]c2ccc(-n3cnc4cccnc43)cc12 26405051 DATCQVJMADOCRS-UHFFFAOYSA-N 262.272 2.714 0 1 CFAF O=C1c2ccccc2-c2nc3c(C(=O)O)cccc3nc21 219655941 GALJTJMFUJPTOB-UHFFFAOYSA-N 276.251 2.539 0 1 CFAF N[C@H]1CCc2c(cccc2-c2ccccc2)CC1=O 72106013 VDFKLQORIBTOTN-INIZCTEOSA-N 251.329 2.739 0 1 CFAF CNC(=O)c1cccc2c1O[C@H](C)[C@H]2c1ccccc1 1911584461 VGGRZLSYFOENSF-ABAIWWIYSA-N 267.328 2.959 0 1 CFAF O=C(c1ccccc1)[C@@H](Cn1ccnn1)c1ccccc1 82158398 WWORACPMEHPZQP-INIZCTEOSA-N 277.327 2.945 0 1 CFAF CCCC[n+]1cccc2c1CC[C@@H]1[C@@H](O)CCC[C@@H]21 40447494 AMVOCAFZNUMROI-QRTARXTBSA-N 260.401 2.965 0 1 CFAF CC(C)Cc1nc2nc(O)nc(O)c2cc1C(C)C 587561601 SFHLURZXUPZYKI-UHFFFAOYSA-N 261.325 2.758 0 1 CFAF O[C@H]1CC[C@@H](c2nc3cc(Br)ncc3[nH]2)CC1 586899879 VBLXYYRIOVKRQW-OCAPTIKFSA-N 296.168 2.739 0 1 CFAF Oc1nc(O)c2ccc(-c3c(F)cc(F)cc3F)nc2n1 587368412 OSPYDDOKTWHISN-UHFFFAOYSA-N 293.204 2.520 0 1 CFAF CCC(=O)NCC(C)(C)c1ccc(F)c(OC)c1 1857590263 RGEAICXTRXKLRS-UHFFFAOYSA-N 253.317 2.638 0 1 CFAF O=C1Nc2cccnc2N(C2CCC2)c2ncccc21 5933772 QMGPHOZRAHZHDC-UHFFFAOYSA-N 266.304 2.733 0 1 CFAF C[C@H]1c2c[nH]c3cccc(c23)S[C@H]1c1nnn[nH]1 13649077 HBBWLDWCRPSAKO-UPONEAKYSA-N 257.322 2.632 0 1 CFAF O=C(/C=C/c1c(C(=O)O)[nH]c2c1CCC2)Nc1ccccc1 13778816 YNVOAIBGYKSYTI-MDZDMXLPSA-N 296.326 2.854 0 1 CFAF C/C=C(\C)C(=O)Oc1cc(C)ccc1[C@@](C)(CO)OC 14588715 QKESIZAEBRXOLV-GXDWLZFVSA-N 278.348 2.721 0 1 CFAF biogenic,in-vitro COc1cc(OC)c2c(c1)O[C@H](c1ccccc1)[C@H](O)C2 14806092 GZYJXCRMZGZMIS-RHSMWYFYSA-N 286.327 2.741 0 1 CFAF COc1ccc(Cl)c2c1C[C@@H](CN1CCCC1)C2=O 169319321 UXIUHGQLBJMNAB-JTQLQIEISA-N 279.767 2.799 0 1 CFAF O=Cc1cc(-c2cccc(C(=O)O)c2)cc(F)c1O 169699661 CQYSAWMXSKZGER-UHFFFAOYSA-N 260.220 2.709 0 1 CFAF CC(C)N(O)C[C@H](O)COc1cccc2ccccc12 5760258 VVODPHQSQSFBAF-AWEZNQCLSA-N 275.348 2.679 0 1 CFAF COC(=O)[C@@H]1CCC(=O)[C@H](Sc2ccccc2)C1 1622543 BMCGYPHJLBAOLQ-ZWNOBZJWSA-N 264.346 2.690 0 1 CFAF O=Cc1ccc([C@H](C2CCCC2)[C@@H]2CC[C@]3(O)C[N@@]23)cc1 2356358811 XQLWYOLOCMKXIM-VJANTYMQSA-N 285.387 2.940 0 1 CFAF OCC[C@@]12N[C@H](Cc3ccccc31)[C@@H]1CCCC[C@@H]12 100659849 NDYRQXAREGWAOX-XLNGHYISSA-N 257.377 2.599 0 1 CFAF COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC(=O)OC[C@@H]3CC[C@@H]12 103292347 LQGXGLODDYOHJI-HNKZQRQQSA-N 294.391 2.945 0 1 CFAF CCc1[nH]c(=O)c(C(C)=O)c2c1C[C@@H](c1ccncc1)CC2 27106746 WGXIXEZFWCYKMF-ZDUSSCGKSA-N 296.370 2.807 0 1 CFAF COC(CN(C)Cc1coc(-c2ccc(C)cc2)n1)OC 72102902 OKLCUIUIHHYVHK-UHFFFAOYSA-N 290.363 2.701 0 1 CFAF COCCC[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442619 RLMMFYRTUFEOSP-WBMJQRKESA-N 276.332 2.628 0 1 CFAF O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(O)cc2[nH]1 586906373 CDJZQZDKAAYFPG-SECBINFHSA-N 282.299 2.849 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(C1CC1)O2 587406349 GLTMVZGIQJFSNO-INIZCTEOSA-N 289.331 2.556 0 1 CFAF OC1(c2nc3cc(Cl)c(Cl)cc3[nH]2)CCOCC1 586913599 NRXIHXFUCBFSED-UHFFFAOYSA-N 287.146 2.868 0 1 CFAF Fc1cc2c(c(Cc3nc4cccnc4[nH]3)c1)OCOC2 587172149 XLSADSBHNLKQTE-UHFFFAOYSA-N 285.278 2.554 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](c1csnn1)CC2=O 587497335 VQIQXBHCCYRVCJ-CYBMUJFWSA-N 290.344 2.903 0 1 CFAF Nc1cc2nc(-c3ncccc3C(F)(F)F)[nH]c2cc1N 587109226 VTVBLIAPYVKLRI-UHFFFAOYSA-N 293.252 2.808 0 1 CFAF Cc1ncn(-c2c(C)[nH]c3c(C(=O)O)cccc23)c1C 587638918 XUZDIYMPLHYUSZ-UHFFFAOYSA-N 269.304 2.977 0 1 CFAF Oc1nc(O)c2ccc(-c3cccc4c3CCCC4)nc2n1 587560811 ADYXRWKAHWPSDC-UHFFFAOYSA-N 293.326 2.982 0 1 CFAF Cc1cc(-c2ccc3c(O)nc(O)nc3n2)cc(C)c1F 587368740 WDUDNSFYVNSAEL-UHFFFAOYSA-N 285.278 2.859 0 1 CFAF Cc1ccc2nc(/C=C/C(=O)Nc3ccccc3)[nH]c2n1 587243144 BOFWDDKBYDJYOB-MDZDMXLPSA-N 278.315 2.918 0 1 CFAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)C(=O)O)N2 958054884 ZIVIYDLAJAONBH-PUSOHNNWSA-N 298.389 2.525 0 1 CFAF CN(C)CCCn1nnc2cccc3cccc1c32 5809585 NGBZZKMHZPKCKV-UHFFFAOYSA-N 254.337 2.536 0 1 CFAF COc1cc(-c2ccc(/C=C/C(=O)O)cc2O)ccc1O 13334187 QOCFBVCDAFFWMD-XVNBXDOJSA-N 286.283 2.871 0 1 CFAF Cc1ccc2[nH]c(CN(C)Cc3[nH]nc4c3CCC4)nc2c1 19219248 SILQWCQVOYCNHR-UHFFFAOYSA-N 295.390 2.715 0 1 CFAF CCOC(=O)[C@H]1Nc2c(OC)cccc2[C@@H]2OCCC[C@@H]12 169295827 PVCMGXZBXILJJN-CQDKDKBSSA-N 291.347 2.520 0 1 CFAF CCN(C)C(=O)Oc1cccc2c1[C@H](CCN(C)C)CN2 169331463 CVHZHJMEYZFVJS-GFCCVEGCSA-N 291.395 2.598 0 1 CFAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)C1CCCCC1 2356320582 SDNOKPFTRLZZJR-VNQPRFMTSA-N 278.440 2.803 0 1 CFAF Cc1ccc2c(c1)[C@H](CCO)CC(=O)[C@H](C)[C@H](O)[C@@H]2C 2356347111 JMMNJTYHKKYEGC-IPJQOSJUSA-N 276.376 2.534 0 1 CFAF COc1ccc(-c2c(C)nn(-c3ccccn3)c2O)cc1 101463473 AZORJSNDMFJIQW-UHFFFAOYSA-N 281.315 2.957 0 1 CFAF CCNc1nc2ccc(Cl)cc2n2c(CC)nnc12 26296258 BJHBMGNRXRRQJU-UHFFFAOYSA-N 275.743 2.925 0 1 CFAF CCCCn1c(=O)c(=O)[nH]c2cc(Cl)c(Cl)cc21 27847380 QXJNKPPTIAJXRY-UHFFFAOYSA-N 287.146 2.797 0 1 CFAF C[C@H](O)[C@@H](C)[C@@H](O)CCCCCCCCCC(=O)O 2356764918 XXMLDCKQXFBRNU-RDBSUJKOSA-N 274.401 2.960 0 1 CFAF C[C@H]1C[C@@H](CC2=[N+]([O-])CCCC2)[C@@H]2CCCN[C@H]2C1 28713012 LOKZTKJBSRMBJH-SDADXPQNSA-N 264.413 2.926 0 1 CFAF Cc1cc(O)c2c(c1)Cc1cc(O)c(Cl)c(O)c1C2=O 6578 PZAGIHBLFSORGU-UHFFFAOYSA-N 290.702 2.900 0 1 CFAF biogenic COc1cc2c3c(c1)OC1(CC(F)(F)C1)[C@@H](C2)C3=O 587424884 XAZSPDIBXPIQMX-VIFPVBQESA-N 266.243 2.611 0 1 CFAF Cn1cc(-c2ccc3c(O)nc(O)nc3n2)c2ccccc21 587557267 HPEHLSUPPCJFQO-UHFFFAOYSA-N 292.298 2.595 0 1 CFAF Cc1ccc2nc(CCNC(=O)Cc3ccccc3)[nH]c2c1 587227961 CAIRHVRMXNZRMC-UHFFFAOYSA-N 293.370 2.773 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccnn1CC1CC1)O2 587390003 FCVQFTJEYAKPAI-MRXNPFEDSA-N 297.358 2.890 0 1 CFAF Cc1cnc2[nH]c([C@@]3(N)C[C@@H]3c3ccccc3F)nc2c1 587154344 DOZSRXROUKZWAJ-BDJLRTHQSA-N 282.322 2.747 0 1 CFAF COc1cc2c3c(c1)O[C@H](C1=COCCC1)[C@@H](C2)C3=O 587454001 QQYNQLSQPGXZHF-BLLLJJGKSA-N 272.300 2.506 0 1 CFAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)N1CCOCC1 587631524 DLOBULZSIWWOPW-UHFFFAOYSA-N 296.729 2.741 0 1 CFAF COc1ncncc1[C@@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963099634 PMRWASWWIBXBQF-BBRMVZONSA-N 299.349 2.734 0 1 CFAF Cc1cncc(Cc2ccc(-c3ccnn3C)nc2)c1 1772633133 FBPYPRPJLHNEMJ-UHFFFAOYSA-N 264.332 2.776 0 1 CFAF CN(C)C[C@H]1C[C@@H]2c3ccccc3Cc3ccncc3N2O1 13819840 QQWLSTBNUSPPGV-NVXWUHKLSA-N 295.386 2.799 0 1 CFAF COc1cc(/C=C/C(=O)Nc2cccc(N)c2)ccc1O 1857594086 MHKFPJKGRKBFFE-SOFGYWHQSA-N 284.315 2.635 0 1 CFAF C[C@@]12CC[C@]3(CO)CO[C@H](c4ccccc4O1)[C@@H]2C3 519443 JPABUXDNLBKOTH-UKMLZYKCSA-N 260.333 2.688 0 1 CFAF CO[C@H]1CCCc2c(OC(C)=O)ccc(OC(C)=O)c21 1613659 KHOYRLVBUFNABG-ZDUSSCGKSA-N 278.304 2.561 0 1 CFAF CCCC[C@@H](O)C=C(C)C=CC=CC(=O)N1CCCC1=O 2356447671 ZYPGADGCNXOUJP-OAHLLOKOSA-N 291.391 2.745 0 1 CFAF Cc1cc(Nc2cc(F)ccc2C)n2nc(C)nc2n1 4923226 IQHIXLPFTIUWGX-UHFFFAOYSA-N 271.299 2.932 0 3 CFAF COc1cccc2c1[nH]c1c(C=O)ncc(OC)c12 59254798 IWZIFXMGQKIDMT-UHFFFAOYSA-N 256.261 2.546 0 1 CFAF CC=C1CN2CC[C@@]34C=C(CO)[C@H]1C[C@@]23Nc1ccccc14 2356510654 HICMXDKNSCMBDU-ZYSHUDEJSA-N 294.398 2.650 0 1 CFAF c1ccc(-n2ccc(-c3nnc4n3CCCCC4)n2)cc1 103225999 PPBZAGUIPAJUPF-UHFFFAOYSA-N 279.347 2.857 0 1 CFAF CN1CC=C(c2nsnc2SCCC[18F])CC1 100052917 MQQTXUFKUNPHAR-DWSYCVKZSA-N 272.405 2.709 0 1 CFAF CC[C@H]1CN2CC[C@H]1C[C@H]2CNCc1cccs1 2356316147 HXBJJCRVGBAZDO-IHRRRGAJSA-N 264.438 2.958 0 1 CFAF C/C=C1\[C@@H]2C=C(C(F)(F)F)C[C@]1(N)c1ccc(O)nc1C2 101216002 WPUFLGDKDRHMHB-UOAABOAUSA-N 296.292 2.952 0 1 CFAF Cc1cnc(-c2cccc(C(F)(F)F)c2)n2nc(N)nc12 28243040 MODFTEZFWOACIT-UHFFFAOYSA-N 293.252 2.701 0 1 CFAF COc1ccccc1C=CC[C@@]1(O)CCC(=O)C[C@H]1OC 2356615309 DIAHBGYCNSEZBL-IAGOWNOFSA-N 290.359 2.598 0 1 CFAF COc1ccc(-c2c(C(C)C)nn3ccccc23)nn1 71332776 PBZJWHBRPXTHCY-UHFFFAOYSA-N 268.320 2.923 0 1 CFAF O=C(c1ccncc1)c1ccc(OCCN2CCCC2)cc1 45254152 AFGONOGEOHNVPG-UHFFFAOYSA-N 296.370 2.787 0 1 CFAF in-vitro C[C@H](N)[P@@](=O)(O)Oc1ccc(C(C)(C)C)cc1 49070673 NFOAEALZJIJOSJ-SECBINFHSA-N 257.270 2.853 0 1 CFAF CC(C)[C@H](N)c1nc2cc(C(F)(F)F)ncc2[nH]1 587258608 HGNKSSAYQUWLBU-VIFPVBQESA-N 258.247 2.633 0 1 CFAF CC[C@H]1OCCC[C@@H]1c1nc2ccc(C(=O)O)cc2[nH]1 586913751 SDCYTJDOSUBEKJ-GXFFZTMASA-N 274.320 2.934 0 1 CFAF Oc1nc(O)c2ccc([C@H]3CC4CCC3CC4)nc2n1 587561253 GKQSDTOSVROJIL-AMUVOQDHSA-N 271.320 2.730 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)noc1C)O2 587394631 JKECANSLHBAUMN-ZDUSSCGKSA-N 272.304 2.889 0 1 CFAF COCCc1c(COC)nc2cccc3c2c1CC3 587213088 YDKMHRCWNWQJTF-UHFFFAOYSA-N 257.333 2.669 0 1 CFAF CC(C)[C@@H]1CCc2nc3nc(O)nc(O)c3cc2[C@@H]1C 587562192 RKKSUGOZROVGLF-BDAKNGLRSA-N 273.336 2.758 0 1 CFAF C=C(NNc1ccccc1)c1ccccc1C(=O)O 957682754 BQOVLKZSJVIBAW-UHFFFAOYSA-N 254.289 2.972 0 1 CFAF O=Cc1ccc2n1CCc1c([nH]c3ccccc13)C2 1857762477 MDQZFCLIEVPXEO-UHFFFAOYSA-N 250.301 2.929 0 1 CFAF O=S1(=O)N[C@@H](CC2=CCCCC2)[C@H]2CCCC[C@H]2O1 12472959 ZOYSOWHUNKOULN-HZSPNIEDSA-N 285.409 2.669 0 3 CFAF CO[C@@H]1CC[C@@H]1N1C(=O)CS[C@@H]1c1c(F)cccc1F 169293138 DOYWPVHFSLHLKP-MISXGVKJSA-N 299.342 2.716 0 1 CFAF C[C@@H]1C(=O)O[C@H]2[C@@H]1CC[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]21 169298393 BXRGGUXPWTWACZ-MZGGEGSUSA-N 250.338 2.579 0 1 CFAF CN=c1[nH]c(=NCc2ccccc2)[nH]c2cc(Cl)ccc12 1857568572 OQHBJPLYVCMXPK-UHFFFAOYSA-N 298.777 2.781 0 1 CFAF COc1ccc(Oc2ccc(NC3=NCCN3)cc2)cc1 26001909 DEXOBIIOQGEGBP-UHFFFAOYSA-N 283.331 2.859 0 1 CFAF CNC(=O)c1ccc2nc(CCc3ccccc3)oc2c1 8611118 DNKBXFYMCGATFN-UHFFFAOYSA-N 280.327 2.973 0 1 CFAF C[C@H](NC(=O)O[C@@H]1[C@H]2C=C[C@@H](O)[C@H]1CC2)c1ccccc1 102940105 NYTSBEZBDJWGFP-CWCFIDOXSA-N 287.359 2.799 0 1 CFAF CCCc1cc(=O)n2[nH]c(-c3ccccc3)cc2n1 103905504 AKVHSVCAFZXALB-UHFFFAOYSA-N 253.305 2.642 0 3 CFAF CC1=C[C@H]2Cc3nc(O)ccc3[C@@]3(C1)NCCC(C)=C23 100914491 OBAHRUDJHVVJQM-YVEFUNNKSA-N 268.360 2.815 0 1 CFAF COc1ccc(/C=C\c2cc(O)cc(O)c2)cc1N 27105919 ZEGFMANMSVXUMV-IHWYPQMZSA-N 257.289 2.859 0 1 CFAF CCOC(=O)/C(=C1/SCC[C@@H](C)S1)n1ccnc1 26249716 RPJCNJZHRGFORF-UUOLZROSSA-N 284.406 2.831 0 1 CFAF CN1CCN(c2nc3cc(C(C)(C)C)ccc3o2)CC1 28713670 XEIIHJVFDDDMKC-UHFFFAOYSA-N 273.380 2.877 0 1 CFAF CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)c(F)c1 117258518 AKHPWBFSMORHSZ-IUCAKERBSA-N 286.734 2.740 0 1 CFAF N[C]1SC=CN1CC(=O)c1ccc(Br)cc1 2356829799 OHWLNBZLFXNXPN-UHFFFAOYSA-N 298.185 2.557 0 1 CFAF Nc1nc(N)c2cc(Sc3ccc(O)cc3)ccc2n1 59720853 JAGCKDUNFYROGW-UHFFFAOYSA-N 284.344 2.651 0 1 CFAF CN1CCN(c2nc3ccccc3n2-c2ccccc2)CC1 38142533 KAKYAOVIGPGMHO-UHFFFAOYSA-N 292.386 2.777 0 1 CFAF CC1CCN(CC(=O)Nc2nsc3ccccc23)CC1 40917020 FQRRZMLMAXRCDK-UHFFFAOYSA-N 289.404 2.967 0 1 CFAF COc1ccc(-c2c[nH]c3c(ccn4ccnc34)c2=O)cc1 84596381 GKAFRRWHPOVLQR-UHFFFAOYSA-N 291.310 2.851 0 1 CFAF CO[C@@H]1O[C@]23C=CC[C@@H](C)[C@]2(C)[C@@H](C(=O)CC3)[C@H]1C 238752175 FVTXNULUHYXYOE-WMLLRYHISA-N 264.365 2.945 0 1 CFAF CC(=O)OC/C(C)=C\Cc1cc2ccc(=O)oc2cc1O 238789525 ILRQFFUQLPOVNR-KMKOMSMNSA-N 288.299 2.551 0 1 CFAF Nc1ccc(/C=C\c2nc3nc(Cl)c[nH]c-3n2)cc1 587251425 GTUAOPWENLNMQG-UTCJRWHESA-N 271.711 2.711 0 1 CFAF N=C(N)c1ccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2c1 586898345 HMHCUEDQAVAEHU-UHFFFAOYSA-N 292.342 2.632 0 1 CFAF Fc1cncc(-c2nc3ccnc(Br)c3[nH]2)c1 587177071 NRFASWFCFAMFPC-UHFFFAOYSA-N 293.099 2.922 0 1 CFAF CCOc1cc(-c2cccc(F)c2)nn1C(=N)S 587872564 NRPXOLBGVWCYFE-UHFFFAOYSA-N 265.313 2.801 0 1 CFAF COC(=O)c1ccc2nc(COc3ccc(C)cc3)[nH]c2n1 587565898 WONBDPSNENUWKW-UHFFFAOYSA-N 297.314 2.632 0 1 CFAF C[C@H](Cc1nc2cccc(Br)c2[nH]1)N(C)C 587191622 NQRLFNVHTMKUCO-MRVPVSSYSA-N 282.185 2.818 0 1 CFAF COC(=O)CC=C1c2ccc(OC)cc2[C@H](OC)[C@@H]1C 1857623459 LEYPXOBPYVCVHC-QLJPJBMISA-N 276.332 2.979 0 1 CFAF C[C@@]12CC[C@H]3C[C@@]1(C(=O)Nc1nccs1)OC[C@]32C 169305295 BTWJITAQMDZBHX-VZLIPTOUSA-N 278.377 2.677 0 1 CFAF CCn1c(=O)ccc2cnc(NC3CCCCC3)nc21 13835401 ZYRWBFDCUJXOGH-UHFFFAOYSA-N 272.352 2.556 0 1 CFAF COc1cc2c(NCc3ccccc3)ncnc2cc1O 3815253 YKDOURWNBDLSNO-UHFFFAOYSA-N 281.315 2.956 0 1 CFAF C[C@@H](CC(=O)C[C@@]1(C)C2C[C@H]3[C@@H](C2)C31C)C(=O)O 104367271 PJKNORSNWWYCMC-RVUBFLPRSA-N 250.338 2.739 0 1 CFAF endogenous,in-man CCN(CC)C1=NCCNC(c2ccc(C)cc2)=C1 100322425 JLYDTHJIPVXXIE-UHFFFAOYSA-N 257.381 2.679 0 1 CFAF CCC[C@H](N)C1CCC(C(=O)Nc2ccncc2)CC1 28383661 XGOLDEQJLJKECT-PIMMBPRGSA-N 275.396 2.954 0 1 CFAF CC(=O)O[C@@H]1C[C@](C)(CO)[C@@H]2CCc3ccoc3[C@@]2(C)C1 2356489243 PYULQCRCTVJQMH-WTTBNOFXSA-N 292.375 2.824 0 1 CFAF CCC(O)(CC)[C@H]1Cc2c(ccc3ccc(=O)oc23)O1 2356861682 ULUHQSIYSZSCGW-CYBMUJFWSA-N 274.316 2.648 0 1 CFAF CC(C)SC1=NS(=O)(=O)c2ccc(Cl)cc2N1 71317883 LDRMCAMEMVUECF-UHFFFAOYSA-N 290.797 2.952 0 1 CFAF Cc1ccc(C[C@H](NC(=O)c2ccc(C)cc2)C(=O)O)cc1 41497295 QJNMRUFDHDGABS-INIZCTEOSA-N 297.354 2.729 0 3 CFAF CCC[C@H](CC)OC(=O)NCCCn1ccnc1 653840639 UMZRWBUTHFUTDI-LBPRGKRZSA-N 253.346 2.578 0 1 CFAF CC1(C)Cc2nc3cccc4c3c(c2C[C@H]1O)CC4 587216043 REDWHFRZAZCODF-OAHLLOKOSA-N 253.345 2.819 0 1 CFAF CC(C)[C@](C)(O)c1nc2cncc(Br)c2[nH]1 586887924 JUTUWQZBMYAFQZ-NSHDSACASA-N 284.157 2.584 0 1 CFAF CC[C@@]1(c2c[nH]ccc2=N)CC(=O)c2cc(C)cc(N)c2O1 587392475 ZULYKNIZKBAYKW-KRWDZBQOSA-N 297.358 2.655 0 1 CFAF COc1nccc2nc(C(C)(C)CSC)[nH]c12 586969435 RMZNJEHCNFYPDG-UHFFFAOYSA-N 251.355 2.607 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)C=CC1(CCCCC1)C3 587560865 ATIBKRPCHUSUOO-UHFFFAOYSA-N 283.331 2.956 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](c1ncccn1)CC2=O 587486534 CGCJBUHSXZJMSE-CQSZACIVSA-N 284.315 2.841 0 1 CFAF CC[C@]1(c2ccc(O)cc2)NCCc2c(C(=O)O)cccc21 963129935 HGTBXMPXIHBARQ-GOSISDBHSA-N 297.354 2.890 0 1 CFAF Fc1ccc2c(c1)C1=NCCCN1C(=S)S2 1857562557 ONKSFHXYNMMECZ-UHFFFAOYSA-N 252.339 2.669 0 1 CFAF Cc1ccc([C@@H](O)c2cn(Cc3ccccc3)nn2)cc1 1772641451 HSXGQTSPOJUUSD-QGZVFWFLSA-N 279.343 2.717 0 1 CFAF CC(C)Oc1c(C(N)=O)oc2ccc(Cl)cc12 13603772 VXCJGLSZFQMBPS-UHFFFAOYSA-N 253.685 2.972 0 1 CFAF COc1ccc2c(c1O)O[C@@H]1c3ccc(O)cc3OC[C@@H]21 14820611 JAAWOQQDCOFLRV-XHDPSFHLSA-N 286.283 2.716 0 1 CFAF COc1ccc2[nH]c(=O)c3c(c2c1)OC(C)(C)CC3 15216864 RXUABHQYCPXRAS-UHFFFAOYSA-N 259.305 2.640 0 1 CFAF CN(C)C[C@H]1CCN(C23CC4CC(CC(C4)C2)C3)C1 26992043 MCPTUNSSWLWTGC-CWJHNBGESA-N 262.441 2.839 0 1 CFAF O=c1[nH]c(-c2ccccc2)cn1Cc1ccccc1 27706035 BPLCUGPDQBEZEI-UHFFFAOYSA-N 250.301 2.892 0 1 CFAF CCN1CCC(=O)N(c2cc(Cl)ccc2C)C1=S 22640 NZIQTSTVVFRZOO-UHFFFAOYSA-N 282.796 2.992 0 1 CFAF CC[C@@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N1C(C)C 427227 OCTFNPKHWGFJBB-RISCZKNCSA-N 274.364 2.507 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1O2 26636804 UNNABHWRKRTYKT-REWJHTLYSA-N 264.296 2.650 0 1 CFAF C[C@H](CNCC1CC1)Oc1cccc2ccc(N)nc12 28387563 JTXVIXJQQCNCCQ-LLVKDONJSA-N 271.364 2.584 0 1 CFAF CC[C@](C)(O)C[C@H](C)c1cc(OC)c(C)c(=O)o1 2356809744 ASQJXEOZHCDEDM-XPTSAGLGSA-N 254.326 2.611 0 1 CFAF CCCN(CCCSC)[C@H]1CCc2n[nH]cc2C1 26468277 KMCVLDJICNZCPD-ZDUSSCGKSA-N 267.442 2.732 0 1 CFAF CC1(C)CCCN(CCCn2nnc3ccccc32)C1 73278008 BKRGTIFCBJVGAX-UHFFFAOYSA-N 272.396 2.943 0 1 CFAF 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CCC[C@@]12C[C@H]3C[C@@](N)(C1)C[C@@](CO[N+](=O)[O-])(C3)C2 1857653690 NQYRMQARVFBPST-XJFOESAGSA-N 268.357 2.663 0 1 CFAF O=C(O)c1ccnc(-c2cn(Cc3ccccc3F)cn2)c1 225942142 FWSGIYDMJPQQGL-UHFFFAOYSA-N 297.289 2.831 0 1 CFAF O=c1c(-c2ccccc2O)coc2cc3c(cc12)OCO3 14811690 RQDCMWHKWKQKAA-UHFFFAOYSA-N 282.251 2.894 0 1 CFAF O=C(NCCc1ccncc1)c1ncc(-c2ccccc2)o1 1857542978 GQILSCIGKJSVGS-UHFFFAOYSA-N 293.326 2.709 0 1 CFAF O=C1C=CCCN1C(=O)/C=C/c1ccc2ccccc2n1 1857646659 MGRFLHFVONJJMM-ZHACJKMWSA-N 278.311 2.563 0 1 CFAF O[C@]1(c2ccc(-c3cccnc3)cc2)CN2CCC1CC2 13757121 ZGMLHWFYPPOXHM-SFHVURJKSA-N 280.371 2.662 0 1 CFAF COc1ccc2ccccc2c1C[C@@H](C)NC(C)=O 13741573 DTYWDULZUHWTNA-LLVKDONJSA-N 257.333 2.916 0 1 CFAF CC(C)C1=C(O)[C@H]2[C@](C)(CC1)[C@H](O)CC[C@@]2(C)O 2356331645 MCIPMASIVZSBIJ-FAAHXZRKSA-N 254.370 2.777 0 1 CFAF CCO/C(O)=C1\C(C)=NC(=S)N[C@@H]1c1cccs1 103349863 BPZQQFOIQFMNFR-OYVNLZQHSA-N 282.390 2.944 0 1 CFAF CCC(=O)Nc1ccc(/C=C/C2=NNC(=O)C[C@@H]2C)cc1 27103636 QXGGCISTOGPFHH-LAHYYIKRSA-N 285.347 2.560 0 1 CFAF CC(C)[C@H]1CNC(=O)c2cc(-c3ccncc3)[nH]c21 38213171 DAENWNUTCUORJB-GFCCVEGCSA-N 255.321 2.560 0 1 CFAF Cc1cc(Nc2ccnc(-c3ccccc3)n2)[nH]n1 34050479 RVFQYDDEYIHFDA-UHFFFAOYSA-N 251.293 2.919 0 1 CFAF Fc1cccc(-c2cncnc2)c1[C@H]1Cc2nccn2C1 40875467 MXXSIQQCMWZCJR-NSHDSACASA-N 280.306 2.819 0 1 CFAF O=C(c1cccc(O)c1)n1cc(O)c2ccccc21 141092327 PUIUHHJIPDJASS-UHFFFAOYSA-N 253.257 2.741 0 1 CFAF COc1cc(C=O)ccc1C1=NO[C@H](c2ccncc2)C1 96142524 JIJBSLWQDGHQQD-HNNXBMFYSA-N 282.299 2.768 0 1 CFAF CC[C@@H](C)C(=O)c1c(O)cc(OC/C=C(\C)CO)cc1O 238781555 UAUIMUAUJLWUSY-IGLBNKAOSA-N 294.347 2.644 0 1 CFAF C[C@@H]1Cc2nc3cccc4c3c(c2C[C@H]1C(=O)O)CC4 587215469 ORULGJRAAIEIKE-BXKDBHETSA-N 267.328 2.769 0 1 CFAF CCOc1cc(-c2cccc(F)c2)nn1CC(C)(C)O 587872377 WRGTWMXLBPBRQX-UHFFFAOYSA-N 278.327 2.859 0 1 CFAF O=Cc1ccc(OCCc2nc3ccccc3[nH]2)cc1 587566866 ZKHPZSGDXBJDGB-UHFFFAOYSA-N 266.300 2.997 0 1 CFAF NC(=O)Nc1ccc(-c2nc3c(F)cccc3[nH]2)cc1 587243205 FWFQHGOHCLREOG-UHFFFAOYSA-N 270.267 2.860 0 1 CFAF COc1ccc(C[C@@H](C)c2nc3ncc[nH]c-3n2)cc1OC 587927527 VOKMKFLFXCLCOT-SNVBAGLBSA-N 298.346 2.668 0 1 CFAF Fc1cnc(-c2cc3c4c(cccc4n2)CC3)nc1 587213329 QMQRJHWBQNRMPP-UHFFFAOYSA-N 251.264 2.930 0 1 CFAF Oc1ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2c1 586901789 ICRQJXXAJDQSGT-WFASDCNBSA-N 266.300 2.838 0 1 CFAF COC[C@H](C)[C@@H]1c2cc(OC)c(OC)cc2C[C@H](C)N1C 962618112 CXTGBIDGANQHEL-NVGCLXPQSA-N 293.407 2.904 0 1 CFAF NC(=O)c1sc2nccc(OC3CCCCC3)c2c1N 148997120 SKXXCAJQBOAUMZ-UHFFFAOYSA-N 291.376 2.689 0 1 CFAF COc1ccc2c(c1O)-c1c(cc(O)cc1OC)CC2 1772651008 NVAYQWYGYFYRLU-UHFFFAOYSA-N 272.300 2.881 0 1 CFAF CCCN1CCC[C@@H]2c3nc(N)sc3CC[C@@H]21 13824128 YZXHGMLAVBMVDU-UWVGGRQHSA-N 251.399 2.630 0 1 CFAF Cc1cc(=Nc2nc(C(C)C)nc3ccccc23)[nH][nH]1 1857770263 XKXBEQSWBVNSHO-UHFFFAOYSA-N 267.336 2.950 0 1 CFAF Oc1ccc2c(c1)[C@@H]1c3ccccc3CN[C@@H]1CC2 12355958 KJAGKRRPTJZCHT-SJORKVTESA-N 251.329 2.942 0 1 CFAF CCn1c(=O)ccc2cnc(Nc3cccc(F)c3)nc21 13835405 DUOMVERUSWZGIM-UHFFFAOYSA-N 284.294 2.694 0 1 CFAF 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COc1cccc(F)c1-c1c[nH]c2ncnc(N(C)C)c12 224889573 QBRZGGWZMVWKAL-UHFFFAOYSA-N 286.310 2.839 0 1 CFAF O=C(O)c1cc2ccc(OCc3ccccc3)cc2[nH]c1=O 96286385 XZQKEPNSVXZBKV-UHFFFAOYSA-N 295.294 2.805 0 1 CFAF CC[C@H](C)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587956007 NGJFSYLGPJCWDS-LBPRGKRZSA-N 273.380 2.909 0 1 CFAF Cc1cc(F)c2[nH]c(-c3cc(N)c(N)cc3F)nc2c1 587137154 QJGWGSYOTUJSQT-UHFFFAOYSA-N 274.274 2.981 0 1 CFAF c1ccc(C[C@@H]2N[C@@H](c3nc4cccnc4[nH]3)CS2)cc1 587038714 BIEMXWLWHDYAKZ-ZIAGYGMSSA-N 296.399 2.904 0 1 CFAF CC(C)[C@@H](c1nc2ccc(Cl)nc2[nH]1)N(C)C 587198784 OZVYXVBBZHBXLF-JTQLQIEISA-N 252.749 2.870 0 1 CFAF Cc1cnc(Cl)c2[nH]c(-c3cncc(N)c3)nc12 587253941 HPRJFEROLZVIGA-UHFFFAOYSA-N 259.700 2.564 0 1 CFAF Cc1c(C(=O)Nc2ccccc2)sc(N)c1C(N)=S 1857610131 ZXYKXMGZMWIJGT-UHFFFAOYSA-N 291.401 2.525 0 1 CFAF O=Cc1c(O)cc(O)cc1/C=C/c1ccc(O)cc1 142624342 WZMWXKORXPKGKP-DAFODLJHSA-N 256.257 2.786 0 1 CFAF Oc1ccc(-c2n[nH]cc2-c2ccc(F)cc2)c(O)c1O 26571821 KHDVQNYMXZQMOS-UHFFFAOYSA-N 286.262 3.000 0 1 CFAF 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2.520 0 1 CFAF COC(=O)C[C@H](C)Cc1nc2ccc(F)c(F)c2[nH]1 587783914 BUXFUJDWQFCNKZ-SSDOTTSWSA-N 268.263 2.583 0 1 CFAF NC1CCC(c2nc3ccnc(Br)c3[nH]2)CC1 587256420 IHGPWJBJTFCRGP-UHFFFAOYSA-N 295.184 2.705 0 1 CFAF COc1cc(O)ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587401057 UYBRARKCQHURDT-MRXNPFEDSA-N 299.326 2.998 0 1 CFAF COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)nc1 587437212 XTGOAJMLNDILEA-SJKOYZFVSA-N 297.310 2.588 0 1 CFAF C/C(=C\c1ccccc1)c1ccc2c(O)nc(O)nc2n1 587560705 DOKNMMZHMQYEDR-MDZDMXLPSA-N 279.299 2.997 0 1 CFAF COCC[C@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440895 IKZSESHKSBEGJE-CXAGYDPISA-N 290.359 2.874 0 1 CFAF O=C1CCC(c2ccccc2)(c2nc3ncc[nH]c-3n2)CC1 586877940 XZPKTPGJVINSRJ-UHFFFAOYSA-N 292.342 2.734 0 1 CFAF CN1C=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC1=O 587518387 HFDREWWZUKAUDW-GOSISDBHSA-N 297.354 2.645 0 1 CFAF COc1cc2c3c(c1)O[C@H](CC[C@@H]1CCOC1)[C@@H](C2)C3=O 587453375 OAUPRDLGPKRLRU-LERXQTSPSA-N 288.343 2.628 0 1 CFAF CCC[C@]1(C(C)=O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445927 PYFPEIAZXKTOGM-MLGOLLRUSA-N 274.316 2.571 0 1 CFAF C[C@@H](O)c1ncc(-c2nc3c(Cl)ccnc3[nH]2)s1 587020878 CAGSWXQVNIULPC-RXMQYKEDSA-N 280.740 2.788 0 1 CFAF Cc1cc2c(cc1F)[C@@H](c1cn3c(n1)CCCC3)NCC2 962376667 QCTONVPYUABXLS-KRWDZBQOSA-N 285.366 2.902 0 1 CFAF c1ccc(C2=Nc3nnnn3[C@H](c3cccs3)C2)cc1 13123907 JPMRBHCICDBWQW-LBPRGKRZSA-N 281.344 2.849 0 1 CFAF COc1ccc(CN(C)c2nc(C)nc3c2CCC3)cc1 1857641446 VEGZYRFIVAJVII-UHFFFAOYSA-N 283.375 2.919 0 1 CFAF CCCc1c(OCCCC(=O)O)ccc(C(C)=O)c1O 27761875 TZJQUAPAYQHQLO-UHFFFAOYSA-N 280.320 2.791 0 1 CFAF O=c1c(NCCc2ccccc2)c(-c2ccccc2)c1=O 6749125 IEGVHHIFHVJEFM-UHFFFAOYSA-N 277.323 2.604 0 3 CFAF O=c1[nH]c2ccc(F)cc2n1-c1nc2cccc(F)c2o1 26650148 IMMPJABTWMVMPJ-UHFFFAOYSA-N 287.225 2.738 0 1 CFAF O=C(OC1C[C@H]2CC[C@H](C1)N2)c1cnc2ccccc2c1 101634860 FHSVLLCILJZHDD-ZIAGYGMSSA-N 282.343 2.675 0 1 CFAF NC(=O)c1cc2ccccc2o/c1=N/c1ccccc1 101419426 KXQXSADVPNMWEB-FBMGVBCBSA-N 264.284 2.764 0 1 CFAF COc1cc(C=Cc2ccc(OC)c(O)c2)oc(=O)c1 2356497453 OCZUPEYJZNWTBK-UHFFFAOYSA-N 274.272 2.533 0 1 CFAF CN1CCN2C[C@@H](c3ccc(N)cc3)c3ccccc3[C@@H]2C1 25965924 MQYSOFADODEXLT-OALUTQOASA-N 293.414 2.703 0 1 CFAF COC(=O)C(CC(C)C)=C(C(=O)OC)c1ccc(O)cc1 2356729342 ADNALORXBBMMON-UHFFFAOYSA-N 292.331 2.538 0 1 CFAF Cc1nc2ncnn2c2c1CCN2C1CCCCCC1 28006678 OCZAOAMWNFRMJR-UHFFFAOYSA-N 271.368 2.518 0 1 CFAF CC(C)C[C@H]1NC(=O)N(OCc2cccc(Cl)c2)C1=O 1911571802 YTIVYDOOWUHOGJ-GFCCVEGCSA-N 296.754 2.738 0 1 CFAF OCCCCNc1cncc(Oc2cccc(F)c2)n1 82068691 HSCLNVSQSGDCDA-UHFFFAOYSA-N 277.299 2.592 0 1 CFAF c1cc2cc(N3CCN4CCC3CC4)ccc2cn1 653703917 CFXFBDMNFXFJEZ-UHFFFAOYSA-N 253.349 2.519 0 1 CFAF Oc1nc(O)c2ccc(C3CCCCCC3)nc2n1 587562197 RPCBWEUOCRJHJN-UHFFFAOYSA-N 259.309 2.874 0 1 CFAF CN(C)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587508397 VNSHWQVXIDLRNV-QGZVFWFLSA-N 273.376 2.851 0 1 CFAF CC(=O)Nc1cccc(Cc2nc3ccc(C)nc3[nH]2)c1 587242054 GKVAEIHWLMOPLJ-UHFFFAOYSA-N 280.331 2.816 0 1 CFAF NC1CC(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)C1 587255548 QFMUHECEUNAEBM-UHFFFAOYSA-N 271.151 2.545 0 1 CFAF Cc1cc(Br)c2[nH]c([C@H](N)[C@@H](C)F)nc2c1 587126095 VTMAGHAXPSFZLJ-HZGVNTEJSA-N 286.148 2.992 0 1 CFAF COc1nccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c12 586902323 KLGWLYUNJYTYHR-DGCLKSJQSA-N 281.315 2.536 0 1 CFAF COc1ccc(-c2ccc3[nH]c(CN)cc3c2)cn1 1857604411 AOHLPETZFAZNDO-UHFFFAOYSA-N 253.305 2.697 0 1 CFAF CCC(=O)Nc1n[nH]c2ncc(-c3ccccc3)cc12 13489637 MJZQCHSSWCBKHZ-UHFFFAOYSA-N 266.304 2.973 0 1 CFAF C[C@@H](Oc1ccccc1-c1ccccc1O)C1=NCCN1 13585579 ACFBDYFNLOKRTR-GFCCVEGCSA-N 282.343 2.828 0 1 CFAF CC(=O)OC[C@](C)(O)[C@H]1/C=C/[C@](C)(O)CC/C=C(/C)CC1 15255009 RTFVWCRRSNVOBR-USWWTLLESA-N 296.407 2.744 0 1 CFAF endogenous,in-man O=C(O)c1ccccc1-c1cc2ccc(O)cc2oc1=O 169309736 IOVXRUBDGIPGPF-UHFFFAOYSA-N 282.251 2.864 0 1 CFAF C/C1=C\CC(=O)[C@H](C)C[C@H]2OC(=O)[C@H](C)[C@@H]2CC1 169647965 KLZWSNKEPLKAOS-GPPZHFKYSA-N 250.338 2.890 0 1 CFAF Cn1c2c(ccc1=O)[C@H](NCCc1ccccc1)CCC2 3778590 UUEOIKHPDJSEIS-MRXNPFEDSA-N 282.387 2.595 0 1 CFAF CC1(C)O[C@@]2(C3CCCC3)C[C@H]3CC[C@@H](CO)[C@@](N)(C2)[C@H]31 2356372298 BHZOVCLUZDPBDV-JGLPAQRISA-N 293.451 2.850 0 1 CFAF CO[C@H](C)CN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@@H]2C 100796792 OYOSCGNGSBDVQJ-XLQHLMKVSA-N 289.419 2.951 0 1 CFAF CCC=CC[C@H](O)C=CC=C[C@@H]1CC[C@H](O)[C@H](C)N1C 2356486454 SSXVPIUBXLMMTO-YVSFHVDLSA-N 279.424 2.660 0 1 CFAF CC=C(C)C(=O)Oc1cc(C)ccc1[C@@](C)(CO)OC 2356632740 QKESIZAEBRXOLV-MRXNPFEDSA-N 278.348 2.721 0 1 CFAF CO[C@]1(C)Cc2ccc3c(c2CO1)O[C@@H](C(C)C)C3=O 2356719280 UBHRGEKXMCFPAP-HOCLYGCPSA-N 276.332 2.722 0 1 CFAF CC(C)=CCC[C@]1(C(=O)O)CC(=O)c2cc(O)ccc2O1 2356828571 IIDSTQJQOPFISF-MRXNPFEDSA-N 290.315 2.927 0 1 CFAF O=C(O)[C@@]1(CCCc2cccc(C(F)(F)F)c2)CO1 39343007 LIVPKBASMBBPGB-GFCCVEGCSA-N 274.238 2.882 0 1 CFAF CCOC(=O)c1nss/c1=N\c1ccccc1 40862858 WLXSTQWTBRADHP-BENRWUELSA-N 266.347 2.614 0 1 CFAF C/C=C/c1ccc(OC(=O)[C@@H](N)C(C)C)c(OC)c1 238761037 XNEUDXJVFMPTJF-GJBLVYBDSA-N 263.337 2.617 0 1 CFAF CNC(=O)[C@@H]1CCCc2c(-c3ccc(Cl)cc3)n[nH]c21 299866795 PKANRCPDIYUWAI-GFCCVEGCSA-N 289.766 2.896 0 1 CFAF C[C@H](O)c1ncc(-c2nc3ccnc(Cl)c3[nH]2)s1 587021879 LVPKOUWLEKDVMD-YFKPBYRVSA-N 280.740 2.788 0 1 CFAF O=C1C[C@@H](c2cnc[nH]2)Oc2c1ccc1c2CCCC1 587524049 JANYDTSOJLZFKH-HNNXBMFYSA-N 268.316 2.995 0 1 CFAF COc1cc2c3c(c1)O[C@H](CC1CCOCC1)[C@@H](C2)C3=O 587454007 QSOHTHDCLZCBDK-ZIAGYGMSSA-N 288.343 2.628 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cn1nc(C)cc1C)O2 587391943 PJYBXGKHUAPJEX-QGZVFWFLSA-N 299.374 2.815 0 1 CFAF Cc1cc2c(cc1F)[C@@]1(CCc3cc(CN)ccc31)NCC2 962090120 IXQAHPHMIRJEKY-IBGZPJMESA-N 296.389 2.928 0 1 CFAF Cn1c(C(=O)Nc2ccccc2)cc2ncsc21 1772614663 FJRJJWCRERQMEH-UHFFFAOYSA-N 257.318 2.887 0 1 CFAF C[C@@H](Oc1ccccc1-c1cccnc1)C1=NCCN1 13585554 AFWQDDUMQAQVSC-GFCCVEGCSA-N 267.332 2.518 0 1 CFAF Cc1c(O)cc(O)c(C(=O)CCc2ccccc2)c1O 14652538 NZHVJQHIGVGIBI-UHFFFAOYSA-N 272.300 2.927 0 1 CFAF COc1ccc2c(c1O)O[C@H]1c3ccc(O)cc3OC[C@H]21 14820609 JAAWOQQDCOFLRV-ABAIWWIYSA-N 286.283 2.716 0 1 CFAF CCOC(=O)c1c[nH]c2ncnc(-c3ccccc3)c12 206766654 LIODERMWZLOSSA-UHFFFAOYSA-N 267.288 2.802 0 1 CFAF O=C(O)Cc1cccc2c1Oc1ccccc1C(=O)C2 27555365 YWNJYWGTVDICLY-UHFFFAOYSA-N 268.268 2.845 0 1 CFAF O=C(O)Cc1cccc2c1Oc1ccccc1[S@]2=O 27550516 RSONUDRQZUIMJP-IBGZPJMESA-N 274.297 2.586 0 1 CFAF CCC(CC)C(=O)Nc1cc(C(=O)O)ccc1NC(C)=O 2047891 USKXJFHTBQWXCS-UHFFFAOYSA-N 292.335 2.718 0 1 CFAF in-vivo COC(=O)[C@@H](c1ccc2ccccc2c1)[C@H]1CCCN1 29481938 NHOGTKAKJAXBLQ-CVEARBPZSA-N 269.344 2.848 0 1 CFAF CCOc1cc(OC)ccc1-c1nc2cc[nH]cc-2n1 100964663 NXMZBMXYMIXENB-UHFFFAOYSA-N 269.304 2.984 0 1 CFAF Cc1cc(=O)n2[nH]c(C)c(-c3ccc(Cl)cc3)c2n1 103907547 KSIQRPQGLOUZIY-UHFFFAOYSA-N 273.723 2.960 0 3 CFAF CCN1CCN2Cc3ccccc3-n3cccc3[C@@H]2C1 27523101 USPIWAACHJFJKD-KRWDZBQOSA-N 267.376 2.670 0 1 CFAF COc1ccc([C@H]2COc3cc(O)cc(O)c3C2)cc1 64559089 KAZJDGJRAHFSOL-LLVKDONJSA-N 272.300 2.825 0 1 CFAF CC1=C(C)C(=O)N(CCCCc2ccccc2)C1=O 71296264 DAVPCYGRMQHTCF-UHFFFAOYSA-N 257.333 2.715 0 1 CFAF O=C(Nc1ccc2c(c1)COC2=O)NC1CCCCC1 73224066 LBQZKWLRJBHISP-UHFFFAOYSA-N 274.320 2.811 0 1 CFAF COc1ccc(/C=C/C=C2/SC(=O)NC2=O)cc1 72172178 MWIKWAKSEYVBNS-TTWWKFCBSA-N 261.302 2.575 0 1 CFAF O=c1cnnc2n1-c1ccc(Oc3ccccc3)cc1CC2 40897821 CZUXVFIDEOOEDV-UHFFFAOYSA-N 291.310 2.518 0 1 CFAF C/C1=C/CC[C@@H](C)[C@@H](C)OC(=O)CC[C@](C)(O)/C=C\[C@H]1O 83924147 YFBAYNVMPAOPKZ-SQHQXHAQSA-N 296.407 2.743 0 1 CFAF in-vitro COC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@@H]1N2C 140066050 QUSLQENMLDRCTO-LJISPDSOSA-N 277.339 2.565 0 1 CFAF O[C@H]1CC[C@H](Nc2ncc3ccc(C4CC4)nc3n2)CC1 473113438 HDODMRCSZYUGPO-JOCQHMNTSA-N 284.363 2.618 0 1 CFAF CCC(=O)Oc1ccc(/C=C/COC(C)=O)cc1OC 473106455 XHPYKXGTJFAPJR-AATRIKPKSA-N 278.304 2.587 0 1 CFAF O=C1OCc2cc(-c3noc(-c4ccc(O)cc4)n3)ccc21 473150001 KXQJHWHCTLIOCT-UHFFFAOYSA-N 294.266 2.780 0 1 CFAF O=C(COc1cc2ccccc2oc1=O)Nc1ccccc1 653787808 ZZJOJOMZFFBWIV-UHFFFAOYSA-N 295.294 2.811 0 1 CFAF Cc1cncc2nc([C@H](C)Sc3ncccn3)[nH]c12 586963193 FXOSYDDCSVQABG-VIFPVBQESA-N 271.349 2.910 0 1 CFAF COc1ccc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2n1 586885609 NAWUDULRBCHZSE-OUAUKWLOSA-N 283.331 2.605 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H](C(=O)O)C1)O2 587402712 BLCKSJFJTNXNAP-QLJPJBMISA-N 289.331 2.556 0 1 CFAF COC(=O)CCCc1cnc2cccc3c2c1CC3 587214190 NDYJOJBQKAHZPY-UHFFFAOYSA-N 255.317 2.829 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(O)nc1C)O2 587394748 ZXVKNXRAEBZDBD-KRWDZBQOSA-N 298.342 2.867 0 1 CFAF COc1cc2nc(Cc3ccc(=N)[nH]c3)[nH]c2cc1Cl 587254224 WSTWSBGBPLIUOV-UHFFFAOYSA-N 288.738 2.623 0 1 CFAF [O-][n+]1ccccc1SCc1nc2cncc(Cl)c2[nH]1 586968694 BWKRBKZIARERED-UHFFFAOYSA-N 292.751 2.537 0 1 CFAF COc1cncc(N)c1-c1nc2c(C)cc(C)cc2[nH]1 587253896 HFRYTHPRQDVAFU-UHFFFAOYSA-N 268.320 2.833 0 1 CFAF CC(C)CCc1cccc2occ(OCCO)c(=O)c12 1857643891 DETTTYWMGIAAOW-UHFFFAOYSA-N 276.332 2.753 0 1 CFAF NCCCC[C@H]1CN=C(N)N1CCCCC1CCCCC1 12726990 BRBXKPVDIHRAMX-INIZCTEOSA-N 294.487 2.865 0 3 CFAF O=C(/C=C/C=C\c1ccc2c(c1)OCO2)N1CCCC1 13537528 GQIJYUMTOUBHSH-SOSXVSKCSA-N 271.316 2.607 0 1 CFAF biogenic,in-vitro COC(=O)[C@H]1[C@@H](c2ccc(F)c(C)c2)C[C@@H]2CC[C@H]1N2C 13738426 JWQGRCSMNJKNOQ-XNISGKROSA-N 291.366 2.873 0 1 CFAF O=Nc1c(O)nc2c(F)c(Cl)c(F)cc2c1O 13757450 XPNBCSLTUFAWSU-UHFFFAOYSA-N 260.583 2.976 0 1 CFAF CN(C)c1nc(N)c2cc(NCc3ccccc3)ccc2n1 169341591 SAUMQXWPSJKQRN-UHFFFAOYSA-N 293.374 2.890 0 1 CFAF Cc1c(C(=O)NCc2ccco2)oc2c1-c1[nH]ncc1CC2 20900732 URTBZJJOSAGIRQ-UHFFFAOYSA-N 297.314 2.600 0 1 CFAF CCc1nn(C)c(-c2nnc(SC)s2)c1Cl 1010524 KSHSBEYOVQRNIY-UHFFFAOYSA-N 274.802 2.876 0 1 CFAF Cc1noc([C@@H]2CNCC[C@@H]2c2ccc(Cl)cc2)n1 26941291 MHDRABCQAWNSIK-CHWSQXEVSA-N 277.755 2.892 0 1 CFAF O=C(NCCCCCn1cncn1)c1ccc(Cl)cc1 27562761 ZNSPXIMDNLDSEH-UHFFFAOYSA-N 292.770 2.532 0 1 CFAF Cc1ccc([S@](=O)c2ccccc2CN(C)C)c(N)c1 28569726 BXVHYBOSHLZFER-FQEVSTJZSA-N 288.416 2.806 0 1 CFAF CC(=O)O[C@@H]1[C@@H]2[C@H](C(C)C)CC[C@H](C)[C@@]2(O)CC[C@]1(C)O 2356596297 FNTLZZCGECJXCR-KLYDWQLOSA-N 298.423 2.512 0 1 CFAF CO[C@@]1(C)Cc2ccc3c(=O)c(C)c(C)oc3c2CO1 38285650 DAPPTUOQTOLWOO-MRXNPFEDSA-N 274.316 2.845 0 1 CFAF Cc1ccc(N2C(=O)[C@@H](N)[C@H]2/C=C/c2ccccc2)cc1 72177824 KRVBWKLPHHPOMI-FPRCLYBRSA-N 278.355 2.751 0 1 CFAF COc1cccc(Nc2nc(Cl)nc3c2ncn3C)c1 40943247 VFUQRMBJSIBFNP-UHFFFAOYSA-N 289.726 2.769 0 1 CFAF Oc1cccc([C@@H]2NC(=S)Nc3cc(F)ccc32)c1 87722306 YFCQKEDOZFMWBS-ZDUSSCGKSA-N 274.320 2.921 0 1 CFAF c1c[nH]c(-c2nnc(CN3CCc4ccsc4C3)o2)c1 95604481 FZBJDTHEORENKK-UHFFFAOYSA-N 286.360 2.685 0 1 CFAF CN1CCc2cc(O)c(CO)cc2[C@H](c2ccccc2)C1 299829488 JZGXUWOYCFNOGI-KRWDZBQOSA-N 283.371 2.504 0 1 CFAF N=c1cc[nH]cc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 587250253 YYBSPIJKKIGTKI-UHFFFAOYSA-N 280.118 2.739 0 1 CFAF C[C@H]1C(=O)CC[C@H]1Cc1nc2ccnc(Cl)c2[nH]1 587961162 DJSGKXGLMVYBIC-SFYZADRCSA-N 263.728 2.769 0 1 CFAF FC(F)c1c(-c2nc3ccccc3[nH]2)cnc2ncnn12 587128017 FLLXMXSJNAAVFA-UHFFFAOYSA-N 286.245 2.605 0 1 CFAF N[C@H](Cc1c(-c2ccccc2)[nH]c2cccc(F)c12)C(=O)O 587636352 XQKIUOFAKWMTGV-CYBMUJFWSA-N 298.317 2.928 0 1 CFAF O=C(Cc1cc2c3c(cccc3n1)CC2)Nc1cccnc1 587211981 AGUAIFSHOFABGT-UHFFFAOYSA-N 289.338 2.910 0 1 CFAF CCOC(=O)c1ccc2nc([C@](C)(O)C(C)C)[nH]c2c1 586886820 GVCLDEAVZKUVKW-OAHLLOKOSA-N 276.336 2.603 0 1 CFAF COc1cc(C)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587393726 KRCJJRSBEHRODW-OAHLLOKOSA-N 298.342 2.996 0 1 CFAF N=c1[nH]ccc2[nH]c(-c3ccc(OC(F)F)cc3)nc12 587131080 WNTMBAZFSFBVJX-UHFFFAOYSA-N 276.246 2.639 0 1 CFAF Cc1cc(C)c(OCCCN2CCC(O)CC2)c(C)c1 32123202 GLODEDLQTXOCLZ-UHFFFAOYSA-N 277.408 2.837 0 1 CFAF O=c1c2ccccc2sn1NCc1ccccc1 1857562750 WCFGJULPEWYMOV-UHFFFAOYSA-N 256.330 2.807 0 1 CFAF Oc1nc(NCCc2ccccc2)c2ccccc2n1 1772617378 NVKLUFJMINDNPB-UHFFFAOYSA-N 265.316 2.990 0 1 CFAF O=c1cc(CCc2ccc(O)cc2)oc2cc(O)ccc12 12343963 KOAJQOJOHHPMFY-UHFFFAOYSA-N 282.295 2.989 0 1 CFAF COc1cc2[nH]c3c(c2cc1-c1cnco1)CC(=O)CC3 12354220 WHABKDSYEZDJDV-UHFFFAOYSA-N 282.299 2.889 0 1 CFAF COc1cc2oc(=O)ccc2c2c1C=CC(C)(C)O2 13311315 WTBVBNPZXAQTHI-UHFFFAOYSA-N 258.273 2.986 0 1 CFAF biogenic,in-vitro O=[S@@](Cc1ncccc1Cl)c1nc2cscc2[nH]1 13448627 MPPYJIOIACXFSV-GOSISDBHSA-N 297.792 2.981 0 1 CFAF Cc1n[nH]c(-c2ccccc2Nc2ncnc3[nH]ccc23)n1 16052801 OKGCSZUKOGMZAL-UHFFFAOYSA-N 291.318 2.795 0 1 CFAF in-vivo C[C@@H]1CCCc2c(-c3cccc(O)c3)nc(=N)[nH]c21 1857575702 JDCXNNSDFFPWPI-SECBINFHSA-N 255.321 2.702 0 1 CFAF CCCN1C[C@H]2OC[C@@H]1C[C@@H]2c1ccccc1OC 1857650638 NIAFCBBNMUXTCI-JGGQBBKZSA-N 261.365 2.662 0 1 CFAF O[C@H]1c2cnccc2C[C@@H]2c3[nH]c4ccccc4c3CCN12 2356402430 GYDDEXWBTPFKBJ-AEFFLSMTSA-N 291.354 2.709 0 1 CFAF CCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)cn1C 1638626 YIZQWBHGZYECIA-UHFFFAOYSA-N 289.331 2.886 0 1 CFAF O=C1CCCC(=O)C1C(=O)c1ccccc1C(F)(F)F 100855625 WZESJOSMFYMQSR-UHFFFAOYSA-N 284.233 2.826 0 1 CFAF O=C1CCCC(=O)C1C(=O)c1ccccc1Br 100855606 XECQPEVQAQFNOX-UHFFFAOYSA-N 295.132 2.570 0 1 CFAF in-vivo Cc1ccc(C(=O)N[C@H]2CCC[C@H]3CN(C)CC[C@@H]23)cc1 26187354 XSTDZAMTGIEXQR-BBWFWOEESA-N 286.419 2.845 0 1 CFAF Cc1[nH]c2nc(N)nc(O)c2c1Sc1cccc(F)c1 28521742 CABWYQQVHCAJAV-UHFFFAOYSA-N 290.323 2.844 0 1 CFAF O=C(NCCCc1ccccc1)C1CCC(CO)CC1 66113958 LNBPMSGDNBMNPE-UHFFFAOYSA-N 275.392 2.534 0 1 CFAF CCOc1cccc(-c2cc(NCCOC)ncn2)c1 82161932 QCBZTEDTRBKAIL-UHFFFAOYSA-N 273.336 2.601 0 1 CFAF Cn1ncc2cc(-c3nc4ccc(F)nc4o3)ccc21 95562381 SSBNWYWLOAHQKX-UHFFFAOYSA-N 268.251 2.916 0 1 CFAF COc1c(O)cc2c3c1-c1ccc(O)cc1C[C@@H]3NCC2 238731346 QAAIWYNFNWDEAF-ZDUSSCGKSA-N 283.327 2.516 0 1 CFAF Cc1cc(Nc2ccc(S(N)(=O)=O)cc2)cc(C)c1F 1174237992 HEOXKRJDPVGJRE-UHFFFAOYSA-N 294.351 2.834 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H]1CCCN(C)C1)O2 587395204 LSWRWYRRWANDSX-SJKOYZFVSA-N 288.391 2.643 0 1 CFAF Cc1ccc(F)c(-c2ccc3c(O)nc(O)nc3n2)c1F 587368124 IMWYYEYPXUWOIL-UHFFFAOYSA-N 289.241 2.690 0 1 CFAF Cn1nc(-c2nc3cc4ccccc4cc3[nH]2)c(F)c1O 587155374 KQAKNVMIYLTQRH-UHFFFAOYSA-N 282.278 2.961 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCCC(=O)O)O2 587408572 PONXCYZIGKOXSJ-OAHLLOKOSA-N 277.320 2.556 0 1 CFAF COc1ccc2nc(-c3ccccc3/C=C/C(=O)O)[nH]c2n1 586881595 XNNHRTFKOCXHEU-RMKNXTFCSA-N 295.298 2.731 0 1 CFAF CCOC1=C[C@@]2(CC1)CC(=O)c1cc(C)cc(N)c1O2 587400594 RCBFTCVUWLGVIO-INIZCTEOSA-N 273.332 2.995 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](COCC)CC2=O 587484043 XHLNCOKTZPHLMG-SNVBAGLBSA-N 264.321 2.715 0 1 CFAF N=C(N)c1ccc(NC(=O)c2ccc(Cl)cc2O)cc1 13444405 VMPSDLOBQDSFBO-UHFFFAOYSA-N 289.722 2.582 0 1 CFAF CC[C@H]1C(=S)Nc2ccc(F)cc2N1C(=O)OC 13474539 GRSBVXRJIXQUBY-VIFPVBQESA-N 268.313 2.930 0 1 CFAF COc1c(O)ccc(C(=O)CCc2ccccc2)c1O 14652609 ITPFPXSYJTYULR-UHFFFAOYSA-N 272.300 2.922 0 1 CFAF COc1ccc(-c2ccc3[nH]c(=O)ccc3c2)cn1 26178785 QHFFCVBMDJFGDX-UHFFFAOYSA-N 252.273 2.599 0 1 CFAF COC(=O)C1=C(c2ccc3ccccc3c2)[C@@H]2CC[C@@H]1N2 101097011 VMBQININAKGPQP-GJZGRUSLSA-N 279.339 2.901 0 1 CFAF CC(=O)N1[C@H]2CC[C@H]1[C@H](c1ccc(Cl)nc1)C2 100022987 PNXFGWLSNKMJSP-SRVKXCTJSA-N 250.729 2.602 0 1 CFAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2 100741756 PRQICMQRAXJOCP-CRWXNKLISA-N 279.767 2.737 0 1 CFAF COc1ccc(-c2cccc(=O)cc2)c(OC)c1OC 27524867 ATCMDBYICGJOIW-UHFFFAOYSA-N 272.300 2.740 0 1 CFAF O=C(Nc1ccccc1O)c1cc2cc(O)ccc2[nH]1 27548510 SKWMMCZGKSMVPR-UHFFFAOYSA-N 268.272 2.831 0 1 CFAF O=c1c2c(c3cccnc3n1-c1cccc(Cl)c1)OCC2 28762487 WVOZXUDXDLHJLT-UHFFFAOYSA-N 298.729 2.974 0 1 CFAF CC(C)C(=O)N1CCC(CCCC(=O)c2ncco2)CC1 29126133 QMHUPJANSWIGJK-UHFFFAOYSA-N 292.379 2.922 0 1 CFAF c1cc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c[nH]1 28640364 PGKHHJWFDIGZCO-MRXNPFEDSA-N 295.390 2.968 0 1 CFAF CC(C)=C1C[C@@H]2[C@H](CC[C@]2(C)O)C(C)(C)OC1=O 2356583282 PJLSRZWITOHTEG-ZOWXZIJZSA-N 252.354 2.826 0 1 CFAF Clc1ccc(Cc2nc(CCc3c[nH]cn3)n[nH]2)cc1 27898293 FAJSDCZMAYETNB-UHFFFAOYSA-N 287.754 2.557 0 1 CFAF C=Cc1ccc([C@H]2CCN(C)C[C@@H]2C(=O)OC)cc1 36270628 YMHAJNFBGPQDLD-CABCVRRESA-N 259.349 2.538 0 1 CFAF CNC(=O)NC(=O)[C@H](CC1CCCC1)c1ccccc1 38841168 BSKWDMIUUDRESB-CQSZACIVSA-N 274.364 2.806 0 1 CFAF COc1ccc2c3c1O[C@@H]1CC=C[C@@H]4[C@H](C2)N(C)CC[C@]341 34744926 CYNZTGLNKBWNHM-OSDKZWGASA-N 283.371 2.530 0 1 CFAF COc1ccnc(CCc2nc3nc(C)cc(C)c3[nH]2)c1 38458342 WTIYHTZINRBDAQ-UHFFFAOYSA-N 282.347 2.764 0 1 CFAF COc1ccc(/C=C(\C(N)=O)c2ccc(OC)cc2)cc1 214358756 KGTJKCQYDQJXRV-WJDWOHSUSA-N 283.327 2.730 0 1 CFAF Cc1ccc(C2=N[C@H](C(=O)OCc3ccccc3)CO2)cc1 49048996 QOYKRWCWXDDOGU-INIZCTEOSA-N 295.338 2.884 0 1 CFAF CNc1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 196410407 DXAMPXVBOTXBTA-UHFFFAOYSA-N 277.345 2.804 0 1 CFAF O=C(c1ccc(O)cc1)n1cc(O)c2ccccc21 141065438 LOSQQHAJDMRYQO-UHFFFAOYSA-N 253.257 2.741 0 1 CFAF CC1=C(/C(C)=C/CC(=O)O)[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 238756991 LNBKWSRIIRUARI-ZFMIWEEYSA-N 264.321 2.695 0 1 CFAF C[C@H]1Oc2ccc(CNCc3ccccc3)cc2NC1=O 96274131 QYEIRRZFGJNFFY-GFCCVEGCSA-N 282.343 2.696 0 1 CFAF OCC[C@@H]1Cc2ccccc2[C@H](CCN2CCCCC2)O1 653830176 YCXIGBCWPBHMGX-AEFFLSMTSA-N 289.419 2.927 0 1 CFAF Clc1ncc2nc(-c3occ4c3CCC4)nc-2[nH]1 586905411 NXDARBBJDWMKPE-UHFFFAOYSA-N 260.684 2.707 0 1 CFAF O=C1O/C(=C/c2nc3cccnc3[nH]2)c2ccccc21 586908111 YVPCOSBWEAAOQB-XYOKQWHBSA-N 263.256 2.626 0 1 CFAF Cc1ccc2[nH]c(-c3ccc(N(C)C)cn3)nc2c1 587194563 JTPKROPWGMSFND-UHFFFAOYSA-N 252.321 2.999 0 1 CFAF Oc1cccc([C@H](O)c2nc3ccc(F)c(F)c3[nH]2)c1 586888116 BGIUUOIJUFIACR-ZDUSSCGKSA-N 276.242 2.628 0 1 CFAF N[C@@H](c1nc2ccc(F)c(Br)c2[nH]1)C1CC1 587255706 OAUYKKUGUOIUAB-SECBINFHSA-N 284.132 2.874 0 1 CFAF Cc1cc(F)c2[nH]c(-c3cccc(N)c3C(=O)O)nc2c1 587248201 ICNCTJLWNDZQLU-UHFFFAOYSA-N 285.278 2.958 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(C[C@@H]1CCOC1)[C@@H](C2)C3=O 587454548 UHGNEQXSWYNJDC-SIMVJXQJSA-N 288.343 2.628 0 1 CFAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(CNC)N1 962952727 VPMLEWWBJLIOKR-MEDUHNTESA-N 257.381 2.527 0 1 CFAF CC1=CC[C@]2(C[C@@H]1O)[C@H](C(C)C)CC[C@H]2C(=O)O 1857543197 ZIOMQRRFPWLXDN-ABHRYQDASA-N 252.354 2.841 0 1 CFAF CCn1[nH]c(C)c2c(C(F)(F)C(F)(F)F)cc(=O)nc1-2 137197840 VUWUNPIXLNOYNF-UHFFFAOYSA-N 295.211 2.659 0 1 CFAF CCc1cc(-c2n[nH]c3ccnc(NC(C)C)c23)nn1C 149440833 NPKKRDSWQYPSJS-UHFFFAOYSA-N 284.367 2.741 0 1 CFAF CN(C(=S)NCCc1ccccc1)c1nccs1 13744889 SZLHGPJAYQWUEP-UHFFFAOYSA-N 277.418 2.697 0 1 CFAF in-vivo C(=C/c1nc2ccccc2n2nnnc12)\c1ccccc1 40914920 AXROJZCKVYBEOG-ZHACJKMWSA-N 273.299 2.843 0 1 CFAF Cc1c(O)c(=O)ccn1CCc1c[nH]c2ccccc12 1663485 PDRMLQUZIPZYNJ-UHFFFAOYSA-N 268.316 2.586 0 1 CFAF c1ccc2c3nc[nH]c(N4CCSCC4)c-3nc2c1 102744712 WOXFGGOJJDWFQL-UHFFFAOYSA-N 270.361 2.616 0 1 CFAF COc1ccc([C@H]2CCC(=O)N2)cc1OC1CCCC1 27552570 YMBCMWAFWNXALP-CYBMUJFWSA-N 275.348 2.968 0 1 CFAF Cc1ccc(S(=O)(=O)N2CC=C(Cl)CC2)cc1 28704313 UIKZITZMMGQCGS-UHFFFAOYSA-N 271.769 2.512 0 1 CFAF O=C(O)c1cccc2cc(Cn3ccnc3)ccc12 29396563 RPSNDJLORFZZDU-UHFFFAOYSA-N 252.273 2.783 0 1 CFAF N=C(N)Nc1ccc(NC(=S)Nc2ccccc2)cc1 29133580 DZHZLABJOJZXGN-UHFFFAOYSA-N 285.376 2.801 0 1 CFAF CO[C@](C)(C=C[C@@H](O)C(C)C)C1CCC(C)(NC=O)CC1 2356677626 GWYOMVLIZRMWIS-MNAZLIDISA-N 297.439 2.660 0 1 CFAF COc1cc(C=Cc2ccccc2)oc(=O)c1OC 2356761343 ABRZDKKKCLXJFO-UHFFFAOYSA-N 258.273 2.827 0 1 CFAF CNC(=O)N(C)[C@@H]1c2ccccc2Oc2cccnc21 28006982 TYXNHAOSQFVBGX-CQSZACIVSA-N 269.304 2.548 0 1 CFAF COC(=O)C1=CC[C@@H]2c3[nH]c4ccccc4c3CCN2C1 31841820 KPCVECZIWABMFF-OAHLLOKOSA-N 282.343 2.570 0 1 CFAF COc1ccc(Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1 45366670 DNLZVBOWVXKCLE-UHFFFAOYSA-N 282.299 2.665 0 1 CFAF CCNC(=S)N1NC2=C(CCCC2)[C@H]1c1ccco1 45366416 QGPMLMREOAIHHL-ZDUSSCGKSA-N 277.393 2.863 0 1 CFAF Fc1ccc2nc(-c3cnc4[nH]ccc4c3)oc2n1 95560293 QOYCEXUUGUZATQ-UHFFFAOYSA-N 254.224 2.905 0 1 CFAF C/C=C(\C(=O)OCC)[C@@H](O)c1ccccc1Cl 299839549 SLJQEDCPKMZFCM-KNVNGTOESA-N 254.713 2.883 0 1 CFAF Nc1cc2nc(-c3cnc(Cl)s3)[nH]c2cc1N 587023960 XTLCZNHJSOMPNM-UHFFFAOYSA-N 265.729 2.504 0 1 CFAF NC(=O)Nc1cccc(-c2nc3c(Cl)ccnc3[nH]2)c1 587242016 LLPMFBJUJSWREU-UHFFFAOYSA-N 287.710 2.769 0 1 CFAF CC(=O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604589 XEJLHQVVXHUNIN-PBHICJAKSA-N 298.294 2.702 0 1 CFAF Oc1nc(O)c2ccc(-c3cc(Cl)cs3)nc2n1 587563567 KDFGQCCKXGELIM-UHFFFAOYSA-N 279.708 2.818 0 1 CFAF CNC(=O)[C@H]1C[C@@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 587235921 SGPJYAFQHLAUSG-WDSKDSINSA-N 284.146 2.719 0 1 CFAF CCOC(=O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525167 SQQDXIIBZROXII-KRWDZBQOSA-N 288.343 2.852 0 1 CFAF Nc1ccnc2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3)nc12 587161090 JTUABJYZYREMCV-MNOVXSKESA-N 268.295 2.950 0 1 CFAF Cc1cc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)nn1C 587875772 MJPLSCWQMZMAQV-UHFFFAOYSA-N 298.277 2.525 0 1 CFAF CCOc1ccccc1OCc1nc2ccnc(O)c2[nH]1 587780205 NXYFZQCUCSOWGY-UHFFFAOYSA-N 285.303 2.641 0 1 CFAF O=S1(=O)CCC(c2cc3c4c(cccc4n2)CC3)CC1 587216776 LSZMENIVVOETJL-UHFFFAOYSA-N 287.384 2.626 0 1 CFAF Cc1cnc2[nH]c(CCc3ccc(C)c(N)c3)nc2c1 587250129 HZYWMAMPNKBOJQ-UHFFFAOYSA-N 266.348 2.942 0 1 CFAF C[C@H](O)[C@@]1(C)c2ccsc2CCN1Cc1ccco1 962711726 USYSSLVYBLLJJI-NHYWBVRUSA-N 277.389 2.995 0 1 CFAF c1ccc(-c2cccc3c2[C@H](c2cnn[nH]2)NCC3)cc1 962670216 QUQPWFXPYZVJMS-KRWDZBQOSA-N 276.343 2.707 0 1 CFAF Cc1cnc([C@H]2NCCc3c2sc(C)c3C)cn1 963014037 STFPFPBNNSDIMT-CYBMUJFWSA-N 259.378 2.698 0 1 CFAF Cc1ccnc2c1CCN[C@@H]2c1scnc1Cl 963066376 HDWVPZOQNZEIGN-JTQLQIEISA-N 265.769 2.735 0 1 CFAF COc1ccc2cc(-c3ccc(Cl)nn3)c(=O)oc2c1 1857641924 WFDDLQJKGFOSDH-UHFFFAOYSA-N 288.690 2.912 0 1 CFAF Cc1cccc(Cl)c1OCCCCN[C@@H](C)CO 1857767314 BQOZJCJRRLBQGI-LBPRGKRZSA-N 271.788 2.778 0 1 CFAF O=c1[nH]c2ccccc2c2nn(-c3ccccc3)cc12 13648684 MLKWAMMFYQAITL-UHFFFAOYSA-N 261.284 2.867 0 1 CFAF C[C@](O)(C(=O)Nc1ccc(Cl)cc1)C(F)(F)F 13649208 IVKLWZJCTHOJHZ-VIFPVBQESA-N 267.634 2.592 0 1 CFAF COc1cccc2c1C[C@H]1CCN(CC3CC3)[C@@H]1C2 13826586 ZZPRPPYBWAPLEI-GDBMZVCRSA-N 257.377 2.894 0 1 CFAF CN(C)C[C@H]1COC(c2ccccc2)(c2ccccc2)O1 13858559 JQJMHGSPMGHLFS-KRWDZBQOSA-N 283.371 2.865 0 1 CFAF CC1(C)CCC[C@]2(C)C3=C(CC[C@H]12)C(=O)O[C@@H]3O 14449537 XTQKCVAXPOCYKT-DGFSRKRXSA-N 250.338 2.785 0 1 CFAF CN1Cc2ccccc2[C@H](c2ccccc2)N=C1N 13600243 AGRMPVPJASGFST-HNNXBMFYSA-N 251.333 2.536 0 1 CFAF OCCCCn1nnc(-c2ccc(-c3ccccc3)cc2)n1 13744452 LBYCISNWPWLBTD-UHFFFAOYSA-N 294.358 2.780 0 1 CFAF Clc1cc(-c2noc(-c3cccnc3)n2)ccn1 116135012 CGNJPGOXIIUFRC-UHFFFAOYSA-N 258.668 2.847 0 1 CFAF CCOC(=O)C[C@@]12CCCN[C@@]1(C)CCc1ccccc12 3594080 ZOJSCGFUDNORFO-ZWKOTPCHSA-N 287.403 2.966 0 1 CFAF Cc1cccc(NC(=O)OCC2=CCN(C)CC2)c1 28758417 QZVDWIYCJSSDJP-UHFFFAOYSA-N 260.337 2.805 0 1 CFAF Cc1[nH]nc2c1c(=O)[nH]c1cc3c(cc12)CCCC3 28956993 GNIXVDKFOGJUIJ-UHFFFAOYSA-N 253.305 2.592 0 1 CFAF CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(C(=O)O)O2 28876775 CUHJERIEOYEEOS-MRXNPFEDSA-N 292.331 2.705 0 1 CFAF Clc1ccc(-n2nncc2-c2ccccn2)cc1 26170137 IXUNKXPGKJTYCV-UHFFFAOYSA-N 256.696 2.983 0 1 CFAF CC(C)C[C@@H](N)c1csc(Nc2ncccn2)n1 61906875 NECKQPIYWLEZAA-SECBINFHSA-N 263.370 2.723 0 3 CFAF CN(C)CC[C@@H]1CN(C)C(=S)c2ccc(Cl)cc2O1 26289812 NXYRMFXTUHUHCP-LLVKDONJSA-N 298.839 2.660 0 1 CFAF COC(C)(C)C=CC[C@](C)(O)[C@@H]1CC[C@](C)(O)[C@@H]1C 2356842774 MXWAVHJWKPMOSZ-VDERGJSUSA-N 270.413 2.906 0 1 CFAF O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc2occc2c1 35857793 TYXXCFWYWQLXHB-QGZVFWFLSA-N 298.342 2.854 0 1 CFAF Cc1c(CO)c(CO)c2n1[C@H](c1ccccc1)SC2 95593746 YZIMIQPVZGYIAY-HNNXBMFYSA-N 275.373 2.575 0 1 CFAF COc1cc(O)ccc1-c1nc2cc(CO)ccc2o1 473098132 FMKKXSLFSSVDCS-UHFFFAOYSA-N 271.272 2.701 0 1 CFAF COc1cc2ncnc(Nc3ccccn3)c2cc1OC 653784898 OQEHZZZRUXJSKE-UHFFFAOYSA-N 282.303 2.786 0 1 CFAF Cc1ccnc2[nH]c(Cc3cc(F)cc4c3OCOC4)nc12 587171004 HTCCVBZCAAAKKU-UHFFFAOYSA-N 299.305 2.863 0 1 CFAF COc1ccc2nc(/C=C\c3ccc(N)cc3)[nH]c2n1 587251317 CJHFBXHNKLFINS-YWEYNIOJSA-N 266.304 2.719 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1CCSC1)O2 587415633 VZUNSOAAVXRVJI-ZANVPECISA-N 263.362 2.664 0 1 CFAF COC(=O)c1ccc2nc([C@@H]3CC=CC[C@H]3C)[nH]c2n1 587967853 TZAQBVSFNIZHFL-NXEZZACHSA-N 271.320 2.814 0 1 CFAF CCOC(=O)[C@@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1 587399184 IWEGJWNQNWFTDW-INIZCTEOSA-N 291.347 2.500 0 1 CFAF Cc1cc(Cl)cc2c(N)c(-c3nc[nH]c3N)[nH]c12 587626984 ZYIUDAWDYOODQS-UHFFFAOYSA-N 261.716 2.684 0 1 CFAF Cc1cc2nc(-c3c(N)cccc3C(=O)O)[nH]c2cc1F 587248382 ONFMDFBFRYKGPN-UHFFFAOYSA-N 285.278 2.958 0 1 CFAF O=C(O)c1ccc2nc(Cc3csc4nccn34)[nH]c2c1 587041462 ZHAYJFZJSUKNQF-UHFFFAOYSA-N 298.327 2.561 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(F)n1)O2 587388046 ZQJFAGRJGZQRAG-CYBMUJFWSA-N 272.279 2.818 0 1 CFAF NC1CC(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)C1 587255625 SZVHYBOTABZNLT-UHFFFAOYSA-N 285.269 2.741 0 1 CFAF COc1ccc(Nc2nc(C)cc(N(C)C)n2)cc1 9146828 ONIZJRZXSOPNMH-UHFFFAOYSA-N 258.325 2.603 0 1 CFAF C[C@@H]1C(=O)CC[C@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12 13143016 BXRGGUXPWTWACZ-BYHNYURESA-N 250.338 2.579 0 3 CFAF endogenous,in-man COc1cc(CO)c(-c2cccc3c2N(C)CC3)cc1OC 14583911 CMCYRDDBGMCBMM-UHFFFAOYSA-N 299.370 2.855 0 1 CFAF CN1C[C@H](c2cc3c(-c4ccccc4)n[nH]c3cn2)CC1=O 205250606 XUWDXPLCJLMHFD-GFCCVEGCSA-N 292.342 2.571 0 1 CFAF C[C@H]1[C@@H](O)CCC(C)(C)[C@@]12CC=C(C(=O)O)CC2 1857540765 ITRPDIHLZQSHRU-ITDIGPHOSA-N 252.354 2.985 0 1 CFAF Cc1c(C)c2c(c(C)c1O)S[C@H](CCCO)O2 6068912 NFFALUZFTIOAOV-SNVBAGLBSA-N 254.351 2.901 0 1 CFAF Nc1ccc(NC(=S)N[C@H]2CC3CCC2CC3)cn1 13600695 BOAWUEHSNPDTMJ-CBINBANVSA-N 276.409 2.529 0 1 CFAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)[C@H]3CC[C@@](C)(O3)[C@@H]21 2356420919 RNZCIODIVSAJQF-LGYCKPCFSA-N 250.338 2.532 0 1 CFAF CC=CC=CCCCC[C@H](O)C(=O)NCC(C)C 2356284393 ZFNHTPGNNDBTCK-AWEZNQCLSA-N 253.386 2.812 0 1 CFAF CCC[C@@H](O)CC(=O)CCc1ccc(OC)cc1 1911584020 CJHUINKOQJPXNP-CYBMUJFWSA-N 250.338 2.748 0 1 CFAF CCOc1cccc2c1O[C@@]1(C)C[C@H]2/C(=C(\C)O)C(=O)N1 104345199 RKRHDCUVGVUMHM-FVIVFAEASA-N 289.331 2.629 0 1 CFAF C=C1C=C(C)n2ncc(C(=O)Nc3ccccc3O)c2N1 102853660 RLJJHFBZZBETKS-UHFFFAOYSA-N 282.303 2.641 0 1 CFAF COC1=C[C@@H](O)C=C[C@@H]1CCCc1ccc(O)cc1 2356398507 TZHCDEGPZOHNRO-ZFWWWQNUSA-N 260.333 2.792 0 1 CFAF CC1(C)C[C@@H]1C(=O)N/C(=C\CCc1ccccc1)C(=O)O 26024237 UMKZUFFJOLQZPO-JFBXQDQPSA-N 287.359 2.750 0 1 CFAF C=CC(=O)O[C@H]1C(=O)N(SC)[C@@H]1c1ccccc1Cl 28816431 OUURAKDSQQEGEC-VXGBXAGGSA-N 297.763 2.599 0 1 CFAF COC(=O)C/C=C1\c2ccccc2OC[C@H](OC)[C@@H]1C 66129130 APVLMEMJLXYXSR-AZCASUJJSA-N 276.332 2.677 0 1 CFAF O=C1CN2Cc3c(-c4ccccc4)csc3NC2=N1 27210642 VVLKMCWSHDAOMK-UHFFFAOYSA-N 269.329 2.539 0 1 CFAF C[C@@H]1CC[C@@H]2[C@@H]1[C@H]([C@@H](C)C(=O)O)CCC[C@@]2(C)O 2356762199 HQEHOUBUOJUOIA-GPVWGEJLSA-N 254.370 2.921 0 1 CFAF Oc1ccc(C[C@@H]2CNCCN2CC2CCCCC2)cc1 61711170 ODTZNNLUNFYDMG-QGZVFWFLSA-N 288.435 2.789 0 3 CFAF CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)OC[C@@H](C)O 35898716 FLYJSXDJKBHQAU-LOWDOPEQSA-N 258.358 2.981 0 1 CFAF endogenous,in-man Cc1cnc(N2CCOCC2)nc1NC1CCC(C)CC1 82213016 XHGUIPDQEJXUHW-UHFFFAOYSA-N 290.411 2.612 0 1 CFAF COc1cnc(-c2ccccn2)nc1N1CCCCCC1 84668167 UECTUWMNQYIMKQ-UHFFFAOYSA-N 284.363 2.928 0 1 CFAF Cc1ccccc1C(C)(C)c1nc2c(N)ncnc2[nH]1 587954571 AIHOVSPKOKZFEP-UHFFFAOYSA-N 267.336 2.569 0 1 CFAF Cc1cc2c(O)nc(O)nc2nc1-c1cccc(F)c1 587368069 HMVXYHDGPGSOTK-UHFFFAOYSA-N 271.251 2.551 0 1 CFAF CCc1ccc2nc(Cc3cccnc3N)[nH]c2c1 587253650 LCMGODFRZOLAES-UHFFFAOYSA-N 252.321 2.693 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1c(C)noc1C)[C@@H](C2)C3=O 587436795 UAAYIYYCRKXWHX-MEDUHNTESA-N 285.299 2.789 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncc3ccccn13)O2 587393318 FZOFTQSLZXXTPD-HNNXBMFYSA-N 293.326 2.931 0 1 CFAF CC(C)(C)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651818 FDLOUFWZLQEOEM-UHFFFAOYSA-N 264.712 2.736 0 1 CFAF CCc1ccccc1NC(=O)c1nc2c(OC)cncc2[nH]1 587240447 FOPNDAFBTYTWLZ-UHFFFAOYSA-N 296.330 2.781 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)C[C@@H]3c1cccc(Cl)c1 587369242 WNNRKXOLEKTFFW-SECBINFHSA-N 299.717 2.777 0 1 CFAF Cc1ccc2nc(-c3cc(F)cc(F)c3O)[nH]c2n1 587134332 NVOYRRMHGVECTD-UHFFFAOYSA-N 261.231 2.917 0 1 CFAF Cc1c(F)ccc2nc([C@@H]3CC(=O)OC3(C)C)[nH]c12 586907608 IDXPRQSYFLLMPW-QMMMGPOBSA-N 262.284 2.820 0 1 CFAF CC(=O)Oc1ccc(-c2cnc(-c3c[nH]nc3C)o2)cc1 1772657729 DMUXTLIBRVLRJR-UHFFFAOYSA-N 283.287 2.965 0 1 CFAF CCN(CC)C(=O)/C(=C\[C@@H]1CCCN1)c1ccccc1 13529964 HOGSBAHGOUPFGD-WSTOHFRZSA-N 272.392 2.690 0 1 CFAF COc1ccc2c(c1)[C@](CN(C)C)(C1(O)CCCCC1)C2 13914237 UBIQMAFTTDZGEX-KRWDZBQOSA-N 289.419 2.746 0 1 CFAF COc1cccc2c3c(c(=O)[nH]c12)C(C)(C)[C@H](C)O3 14618000 MXTMEKGZEDTXFY-QMMMGPOBSA-N 259.305 2.595 0 1 CFAF CC(C)(O)c1ccc(C(=O)[C@@H]2CN3CCC2CC3)s1 350972 XQWPUBSBYKZVGN-LLVKDONJSA-N 279.405 2.500 0 1 CFAF CN1[C@H]2CC[C@@H]1CC(OC(=O)CCc1ccccc1)C2 2020456 DKIGFMGFYCZXBZ-XYPWUTKMSA-N 273.376 2.788 0 1 CFAF in-vitro CN1CC[C@@]2(CCCN(C(=O)Oc3ccccc3)C2)C1 3956272 PZXUCEVKCCWVRO-INIZCTEOSA-N 274.364 2.603 0 1 CFAF CCC1(CC)C[C@@H](COC(=O)c2ccccc2)OC1=O 103286483 WUKBACFJNLJLGE-ZDUSSCGKSA-N 276.332 2.965 0 1 CFAF Oc1c(-c2nc3cc[nH]cc-3n2)n[nH]c1-c1ccccc1 101080337 HDPLQIRBSFCDPP-UHFFFAOYSA-N 277.287 2.672 0 1 CFAF CCCN(CCC)[C@H]1CCc2c(ccc(CO)c2O)C1 26174542 FCWCWWBDTVEDKI-HNNXBMFYSA-N 277.408 2.864 0 1 CFAF CNN(c1nnc(-c2ccccc2C)s1)C(C)C 26376525 PGLOBXKLNOLFNK-UHFFFAOYSA-N 262.382 2.863 0 1 CFAF C=C=CCOc1ccc(C=CC(=O)OC)cc1OC 2356756473 IHEOIJMPDMHWKQ-UHFFFAOYSA-N 260.289 2.601 0 1 CFAF CCCNC(=O)Oc1ccc(C2=NCCS2)cc1 42988883 MPCMZCSRPYZTRZ-UHFFFAOYSA-N 264.350 2.678 0 1 CFAF O=C(Nc1ccc(F)nc1)C(=O)c1c[nH]c2ccccc12 45254075 BXEYTOFINFQAEZ-UHFFFAOYSA-N 283.262 2.523 0 1 CFAF COc1cccc(Cn2cnc3ncnc(Cl)c32)c1 45261317 NFPFNSQQRQIOMR-UHFFFAOYSA-N 274.711 2.537 0 1 CFAF CCOC(=O)[C@@H](C)[C@@H]1NCCc2c1[nH]c1ccccc21 95556934 MGNUTJXZFFVDDU-HZMBPMFUSA-N 272.348 2.554 0 1 CFAF N#CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 618017894 RLGHFOQFWCTIGB-UHFFFAOYSA-N 270.163 2.592 0 1 CFAF CCCc1c(O)ccc2c1O[C@]1(CCOC[C@@H]1F)CC2=O 587472596 RTWWWNAGUKWWAW-GOEBONIOSA-N 294.322 2.807 0 1 CFAF Fc1ccc2c(c1)-c1cc(n(-c3ccc4nccn4n3)n1)O2 587874900 FFRJXXXJOLPFKB-UHFFFAOYSA-N 293.261 2.827 0 1 CFAF CCCc1c(O)ccc2c1O[C@@]1(CCN[C@H](C)C1)CC2=O 587484781 NPMWQBDPKFHDGA-PIGZYNQJSA-N 289.375 2.821 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCn1cccn1)O2 587392640 UPAGNCSQOKLHRM-MRXNPFEDSA-N 285.347 2.588 0 1 CFAF CC(=O)c1ccc2nc(-c3cnc([C@@H](C)O)s3)[nH]c2c1 587022744 WRQLFASODHPMAO-MRVPVSSYSA-N 287.344 2.942 0 1 CFAF CCc1ccc2nc([C@H](N)Cc3cscn3)[nH]c2c1 587030058 ZLJORMRMMQKMTF-LLVKDONJSA-N 272.377 2.824 0 1 CFAF Cc1cncc2nc(C(F)(F)c3ccccn3)[nH]c12 587090550 RJYAZPSQRPYANJ-UHFFFAOYSA-N 260.247 2.801 0 1 CFAF O[C@H]1C[C@H](c2nc3cc(F)cnc3[nH]2)c2ccccc21 586903057 NFSYVGXYXNYTGZ-AAEUAGOBSA-N 269.279 2.666 0 1 CFAF CC1(C)c2nc3cccc4c3c(c2CC[C@@H]1O)CC4 587215075 ABVAXVMTWPLWAZ-AWEZNQCLSA-N 253.345 2.918 0 1 CFAF O=C(O)c1ccc2nc(-c3cc(F)cc(F)c3O)[nH]c2c1 587134670 UPLOJCXZBXNDMR-UHFFFAOYSA-N 290.225 2.912 0 1 CFAF CCC[C@@]1(C(=O)O)c2c(F)cccc2C[C@@H]2CCCN21 963110074 QIXBJHCXJGEWNQ-LRDDRELGSA-N 277.339 2.926 0 1 CFAF Cc1cc2c(cc1O)[C@H](C1CC3(CC3)C1)N[C@H](C(=O)O)C2 963487080 BKMONDARLNEIJP-ZFWWWQNUSA-N 287.359 2.531 0 1 CFAF CN(C)Cc1cc([C@]2(C)CCSC(=N)N2)c(F)cc1F 1772604068 COYGMPIGIAMZNG-AWEZNQCLSA-N 299.390 2.903 0 1 CFAF COC(C/C=C\[C@H](O)[C@H](C)OCc1ccccc1)OC 12477970 VQFCTNUGJJZSHM-AMSHZMHASA-N 280.364 2.518 0 3 CFAF CC(=O)O[C@@H](/C=C/c1ccccc1)C[C@@H]1CC=CC(=O)O1 13411160 TYMKVQRXYUDCIH-ISEXYEMMSA-N 286.327 2.893 0 1 CFAF CC[C@]1(c2cccc(O)c2)OC[C@H]([C@@H]2CCCCN2)O1 13453453 UYAARRWROFVOEO-XHSDSOJGSA-N 277.364 2.513 0 1 CFAF COC(=O)C1=C(c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C 13809585 ZECSPXOBAAGUES-GXTWGEPZSA-N 275.323 2.619 0 1 CFAF CCC[C@@H](O)CCCCCCC[C@H](O)CC(=O)O 15117381 AVKYODWULTZQPQ-OLZOCXBDSA-N 260.374 2.714 0 1 CFAF Cc1cccc(-c2cncc(C(=O)[C@H]3CCN(C)C3=O)c2)c1 205747430 QNCLOURKADZPQM-MRXNPFEDSA-N 294.354 2.718 0 1 CFAF CC1(C)O[C@@]2(C3CCCCC3)CC[C@H]1[C@@](N)(CCO)C2 2356353751 SKKFNEGRUYTVLA-OIISXLGYSA-N 281.440 2.994 0 1 CFAF CNC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@@H]1N2C 101265588 VVUBAWQWFHXQPO-XGUBFFRZSA-N 292.810 2.652 0 1 CFAF C[C@]12CO[C@]3(C(=O)NCCc4ccccc4)C[C@@H]1CC[C@@]23C 100629545 BCICVXOJSZMETA-WNHJNPCNSA-N 299.414 2.941 0 1 CFAF F[C@H]1CN(CC2CC2)C[C@H]1OCc1nc2ccccc2o1 2356302498 XAZKRTPGZSINHM-SWLSCSKDSA-N 290.338 2.777 0 1 CFAF COc1c(O)ccc(C=Cc2cc(O)cc(O)c2)c1O 2356515009 VXLRGWYITQYDOS-UHFFFAOYSA-N 274.272 2.688 0 1 CFAF CC1=CC[C@H](O)C(C)=C[C@@H]2OC(=O)[C@@H](C)[C@@H]2CC1 2356545899 RLHPCSSGTQNSJN-XUXIUFHCSA-N 250.338 2.602 0 1 CFAF O=C(C=Cc1ccc(O)cc1)Oc1ccc(O)cc1 2356696596 HBTCONOQWCUFLS-UHFFFAOYSA-N 256.257 2.717 0 1 CFAF CO[C@]1(C)Cc2ccc3c(c2CO1)O[C@H](C(C)C)C3=O 2356719281 UBHRGEKXMCFPAP-ZBFHGGJFSA-N 276.332 2.722 0 1 CFAF Cc1ccc(-c2cc3nc(-c4ccco4)nn3c(N)n2)cc1 28105658 GPXRQAVGHKUJPT-UHFFFAOYSA-N 291.314 2.942 0 1 CFAF COc1ccc2c3c(oc2c1)C(=O)Nc1cccc(C)[n+]1C3 45391417 KPWJSABRKROATH-UHFFFAOYSA-O 295.318 2.651 0 1 CFAF c1ccc(O[C@H](C2=NCCN2)c2ccccc2)cc1 40972332 OABROWXKGQFLDH-HNNXBMFYSA-N 252.317 2.808 0 1 CFAF CCO[P@](=O)(O)CC(C)(C)N(Cl)Cl 40834462 MMTOQBLVTZSXCR-UHFFFAOYSA-N 250.062 2.597 0 1 CFAF CCOc1cccc(-c2cc(N[C@@H](C)COC)ncn2)c1 82162412 MYSOFJHFEXCRKJ-LBPRGKRZSA-N 287.363 2.989 0 1 CFAF CC[C@@H]1[C@@H]2CCCCN3CC[C@@H]([C@@H]4[C@@H](C)C(=O)O[C@H]14)[C@@H]23 238747310 ROIHYOJMCBKEER-FFNDWZFNSA-N 277.408 2.695 0 1 CFAF CN(C)Cc1cccc2nc3c(nc12)-c1ccccc1C3=O 653713047 UYIOKHLCOYJSME-UHFFFAOYSA-N 289.338 2.903 0 1 CFAF Oc1ccc2nc(-c3cc(F)cc(F)c3O)[nH]c2c1 587134614 RDQOTSMMAGAYEL-UHFFFAOYSA-N 262.215 2.919 0 1 CFAF COc1c(F)cc(-c2nc3cnc(Cl)[nH]c-3n2)cc1F 587135307 YRLZXFTVYTXFSO-UHFFFAOYSA-N 296.664 2.912 0 1 CFAF CCN(CC)C(=O)Cc1cc2c3c(cccc3n1)CC2 587212646 KKBZFLQIYNRLQG-UHFFFAOYSA-N 268.360 2.744 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C)no1)O2 587394965 MEYLRMHFLKWVCN-OAHLLOKOSA-N 272.304 2.754 0 1 CFAF CCC[C@@]1(c2c(C)n[nH]c2C)NCCc2ccc(O)cc21 963350901 DVXDHQKQPANXQU-QGZVFWFLSA-N 285.391 2.922 0 1 CFAF NC(=O)Nc1nc(NCc2ccccc2)c2ccccc2n1 1772643240 JHYPOEYZLGFXQR-UHFFFAOYSA-N 293.330 2.733 0 1 CFAF CN(C)CCCNc1nccc2c1c1cc(O)ccc1n2C 5161534 AIRWWXZNIIRLEX-UHFFFAOYSA-N 298.390 2.796 0 1 CFAF CS(=O)(=O)Nc1ccncc1Sc1ccccc1 13586677 SQQJATJQZCRBEZ-UHFFFAOYSA-N 280.374 2.604 0 1 CFAF in-vivo CCC(=O)c1ccc2c(c1O)C(=O)c1c(O)cccc1C2 13606522 KGAHUIIBPUKUER-UHFFFAOYSA-N 282.295 2.826 0 1 CFAF in-vivo COC(=O)c1c(OC)cc2c(c1C)C=CC(C)(C)O2 14511334 SQXUBEFZJYZUNV-UHFFFAOYSA-N 262.305 2.974 0 1 CFAF biogenic,in-vitro Cc1ccc2ncnc(Nc3cccc(C(N)=O)c3)c2c1 14944573 MICFRXNRMMKOHU-UHFFFAOYSA-N 278.315 2.781 0 1 CFAF O=C(NC1CCCC1)c1cc(Oc2cccnc2)ccn1 167500443 QOJSWKJOCVKHSO-UHFFFAOYSA-N 283.331 2.941 0 1 CFAF COc1cccc2c1CCC[C@H]2CCCN1CCNCC1 29479711 UKIXOQAGPABIPX-HNNXBMFYSA-N 288.435 2.801 0 1 CFAF C[C@@H]1C(=O)O[C@H]2[C@@H]1CC[C@@H](C)[C@@H]1CCC(=O)[C@@]12C 2356449664 UAISWGZBKOGPML-QPWGVFISSA-N 250.338 2.579 0 1 CFAF 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OPWXEMFYURUFIN-FWHDEMJESA-N 296.292 2.952 0 1 CFAF O=C1C[C@@]23C[C@@]14CCCN1CC[C@H]([C@@H]2c2ccccc2N3)[C@@H]14 2356766112 KQOTZCMTYZMKDE-HWDJUHOGSA-N 294.398 2.782 0 1 CFAF CO[C@@H]1CCCCC[C@H](C)OC(=O)C=C[C@@H](O)CC1 2356801169 QLHJXXLYINWOCT-MELADBBJSA-N 270.369 2.595 0 1 CFAF CN(C)C=C(C(=O)Nc1ccc(F)c(F)c1)C(F)(F)F 2356868287 WZZAZOMHHQKEJW-UHFFFAOYSA-N 294.223 2.911 0 1 CFAF CCOC(=O)c1[nH]cc(C(=O)O[C@H]2C[C@H]3CC[C@@H]2C3)c1C 28817254 OADZOHBDSYHZTK-LOWVWBTDSA-N 291.347 2.845 0 1 CFAF Cc1ccc2nc([S@@](=O)c3cnc(N)s3)ccc2c1 26502466 HYCWQXPTKXXKHD-IBGZPJMESA-N 289.385 2.749 0 1 CFAF Cc1cccc2c1C(=O)c1cc(CC(=O)O)ccc1OC2 39207932 RYEWNNHLASLWIB-UHFFFAOYSA-N 282.295 2.746 0 1 CFAF Fc1cccc(-c2cncc(CNCC3CC3)n2)c1F 71340393 VRBSVCSTWKWOFR-UHFFFAOYSA-N 275.302 2.921 0 1 CFAF COC(=O)c1ccc2c3c(c(C(C)C)cc2c1)C(=O)NC3=O 45298385 YUQPIFCUCUBQQI-UHFFFAOYSA-N 297.310 2.633 0 1 CFAF CN1CCC[C@@](c2ccccc2)(N2CCCCC2)C1=O 71316403 GEOJTCOUSFGWHX-KRWDZBQOSA-N 272.392 2.620 0 1 CFAF CN(Cc1ccc(-c2ccccc2)cc1)C1CN(C#N)C1 1911585916 AKLYMSKSAPLCHJ-UHFFFAOYSA-N 277.371 2.951 0 1 CFAF CC(C)[C@@H](c1cc2c3c(c1)CCN3C(=O)CC2)n1ccnc1 95556394 QFVWNWUBYUMAPA-KRWDZBQOSA-N 295.386 2.964 0 1 CFAF CCCNc1ccc2ncc(-c3ccc(C(=O)O)cc3)n2n1 145708355 PFZZHTJWZSSQMY-UHFFFAOYSA-N 296.330 2.916 0 1 CFAF COc1cc2c(cc1OC)[C@@H](CCCCCO)N(C)CC2 96923152 HCMBPTBBRPSSEL-OAHLLOKOSA-N 293.407 2.786 0 1 CFAF CCN(Cc1nccs1)C(=O)COc1ccc(C)cc1 144523217 RHMPXSGEYPEQKB-UHFFFAOYSA-N 290.388 2.879 0 1 CFAF CN=c1sc2c(C)c(O)c3ccccc3c2n1C 377819945 RTFAFIVJQZHYQF-UHFFFAOYSA-N 258.346 2.938 0 1 CFAF C[C@H]1CCn2nc(COc3ccccc3)cc2C1=O 299837180 JLBLXDRTKGEWJG-NSHDSACASA-N 256.305 2.685 0 1 CFAF COc1ccc(-c2coc3cc(O)ccc3c2=O)cn1 299850615 CEPSSYOEOIRWPL-UHFFFAOYSA-N 269.256 2.569 0 1 CFAF Cc1ccc2nc(CCOc3ccc(C=O)cc3)[nH]c2n1 587566305 FUTAGESZDCFDJZ-UHFFFAOYSA-N 281.315 2.700 0 1 CFAF C[C@@H](c1nc2cccc(C(=O)O)c2[nH]1)n1cc(Cl)cn1 587082089 JWCHGDDQUGVYQW-ZETCQYMHSA-N 290.710 2.720 0 1 CFAF Cc1ccc2c(ccc3nc([C@@H]4CCOC4)[nH]c32)n1 586912454 SAVDSIFVLJKBBP-SNVBAGLBSA-N 253.305 2.923 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(C1CC1)O2 587387673 RNVBKDFGBFZSKG-DKRLNXSXSA-N 286.375 2.767 0 1 CFAF COC[C@]1(C2CCC2)CC(=O)c2cc(C)cc(N)c2O1 587399377 IOINWWGQFNMIOK-INIZCTEOSA-N 275.348 2.728 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1cccnc1F)[C@@H](C2)C3=O 587430147 YSYVBOAOVFCGDS-SJCJKPOMSA-N 299.301 2.892 0 1 CFAF Cc1cc2[nH]c(Cc3ccc(CC(=O)O)cc3)nc2c(C)n1 587962805 ZOHYJNAGNGSQMF-UHFFFAOYSA-N 295.342 2.793 0 1 CFAF C[C@H]1CCO[C@H](c2nc3ccc([C@H](N)N=O)cc3[nH]2)C1 586917138 MLKHGDWBKBLODO-AQUOVQTQSA-N 274.324 2.774 0 1 CFAF Oc1nc2cc3nc(C(F)(F)C(F)F)[nH]c3cc2[nH]1 587089239 MSXPBESFFMNYBG-UHFFFAOYSA-N 274.177 2.502 0 1 CFAF COc1cncc(N)c1-c1nc2cc(C)c(C)cc2[nH]1 587254918 YTFWUXFBBHUGRO-UHFFFAOYSA-N 268.320 2.833 0 1 CFAF CC(C)(N)[C@@]1(c2ccccc2)NCCc2ccc(O)cc21 963344135 ZCFZGMZNCPRLTD-SFHVURJKSA-N 282.387 2.519 0 1 CFAF CS[C@@H](C)C[C@@H]1c2ccsc2CCN1C(N)=O 962701251 AJXCJKGELACCFF-WCBMZHEXSA-N 270.423 2.868 0 1 CFAF CC[C@H](C)[C@]1(C(=O)O)NCCc2c1sc(C)c2C 963032678 UWVCXXZWKIGFJV-RTHLEPHNSA-N 267.394 2.837 0 1 CFAF Nc1ccc2c3c1[C@]1(CCC[C@H]4[C@@H]1C4(F)F)N(CC3)C2 962956604 LGEOMLQRJQEQOY-CQDKDKBSSA-N 276.330 2.901 0 1 CFAF O=C1CCc2cc(OCCCc3c[nH]cn3)ccc21 13814624 HUQNCTURGOMYGP-UHFFFAOYSA-N 256.305 2.550 0 1 CFAF CC(=O)Nc1nc2ncccn2c1-c1ccc(F)c(F)c1 203466095 MJOZCKJGMZJLKH-UHFFFAOYSA-N 288.257 2.633 0 3 CFAF Cc1ccc(-n2ncc(C(=O)O)c2C2CCNCC2)c(C)c1 6769784 ANJUAEYBSRYCSB-UHFFFAOYSA-N 299.374 2.654 0 1 CFAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1cccc(F)c1 2356300127 BBTJFAIHXNBDPP-DVOMOZLQSA-N 290.382 2.676 0 1 CFAF c1ccc(CN[C@H]2[C@@H]3[C@H]4C[C@@H]5[C@H]6[C@H](C[C@H]53)[C@@H]2[C@H]46)cc1 101182195 ZWCQZHOWEDKJBN-UQEJVPLQSA-N 251.373 2.923 0 1 CFAF CN1[C@H]2CC[C@@H]1CC(OC(=O)CCOc1ccccc1)C2 28112685 QFMHIOIUYLQOCA-MZBDJJRSSA-N 289.375 2.624 0 1 CFAF CCc1cc2c(=O)c(-c3ccon3)c(N)oc2cc1OC 103731021 ZEBJUTVOURFQCN-UHFFFAOYSA-N 286.287 2.601 0 3 CFAF CCO[C@@H]1C[C@@H]2C(C)(C)CCC[C@@]2(C)C2=C1C(=O)O[C@@H]2O 2356861659 ULNDEDWNCOHSHX-HAJMCDISSA-N 294.391 2.800 0 1 CFAF CCN1CC(=O)N(c2ccc3ccccc3c2)C1=S 27761824 CFEZFGNJDGXEEK-UHFFFAOYSA-N 270.357 2.793 0 1 CFAF O=C1O[C@@H](c2ccc(O)cc2)C(c2ccc(O)cc2)=C1O 45498201 CKNUMDUUOHUEKF-HNNXBMFYSA-N 284.267 2.665 0 1 CFAF O=C(NCCc1c[nH]c2ccc(O)cc12)c1ccc(O)cc1 42920272 ISSNDLXFBIARRB-UHFFFAOYSA-N 296.326 2.552 0 1 CFAF COc1cc2c3c(c1)O[C@]1(CCC[C@H](OC)C1)[C@@H](C2)C3=O 587444633 WQAXQGFYGPFECH-BNLOLNQZSA-N 288.343 2.770 0 1 CFAF Cc1cc2[nH]c(C[C@@H]3CCC(=O)[C@@H]3C)nc2c(C)n1 587963597 PAKWLMDPGIBGHE-KOLCDFICSA-N 257.337 2.732 0 1 CFAF OCc1ccc2nc(-c3cnc(Cl)s3)[nH]c2c1 587022876 CCKZJAZIKWIINS-UHFFFAOYSA-N 265.725 2.832 0 1 CFAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2c(N)ccnc2[nH]1 587928612 ABDOVTSPPPYLNO-PIGZYNQJSA-N 294.358 2.994 0 1 CFAF N=c1ccc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)c[nH]1 587253914 SLQZQMZENCRJSS-UHFFFAOYSA-N 294.145 2.663 0 1 CFAF FC(F)C(F)(F)c1nc2ccnc(Cl)c2[nH]1 587089267 NUIOEFVUSZGKCC-UHFFFAOYSA-N 253.586 2.968 0 1 CFAF COC[C@H](C)[C@@H]1c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962618117 CXTGBIDGANQHEL-XWCIJXRUSA-N 293.407 2.904 0 1 CFAF CC(=O)c1cn(C)c(=O)c2ccc(-c3nccs3)cc12 1857756652 MMSLUPSWQVHXJV-UHFFFAOYSA-N 284.340 2.865 0 1 CFAF Cc1ccc([C@H](O)c2cn(Cc3ccccc3)nn2)cc1 1772641449 HSXGQTSPOJUUSD-KRWDZBQOSA-N 279.343 2.717 0 1 CFAF COc1cc(O)c2c(c1)O[C@H]1c3ccc(O)cc3OC[C@@H]21 14820521 RUSDVGLVSNJFOG-ZBEGNZNMSA-N 286.283 2.716 0 1 CFAF Cc1ccc(-c2c(-c3nc[nH]c4nccc3-4)nnn2C)cc1 1857547482 MQUUPGZEOMEFRA-UHFFFAOYSA-N 290.330 2.680 0 1 CFAF Cc1cccc(N)c1Oc1ccccc1CC(=O)O 26389566 DNYFINNZCHJESI-UHFFFAOYSA-N 257.289 2.997 0 1 CFAF CCn1c(=O)ccc2c3c(ccc21)NC(C)(C)CC3=O 103234302 WVHJYMLYXXXSTL-UHFFFAOYSA-N 270.332 2.798 0 1 CFAF O=S(=O)(Nc1ccncc1Nc1ccccc1)C1CC1 103266639 OUBIEBXGDGVTFB-UHFFFAOYSA-N 289.360 2.729 0 1 CFAF COC(=O)c1cc(C)nc2c(-c3ccc(F)cc3)c(C)nn12 21527947 FPTGGFQHOCUWSX-UHFFFAOYSA-N 299.305 2.939 0 1 CFAF COC(C)(C)C=CC[C@](C)(O)[C@@H]1CC[C@@](C)(O)[C@H]1C 2356842775 MXWAVHJWKPMOSZ-XNISGKROSA-N 270.413 2.906 0 1 CFAF CC(=O)Cn1nnnc1Cc1ccc(-c2ccccc2)cc1 29043335 CMJCLKJQWKCDNI-UHFFFAOYSA-N 292.342 2.520 0 1 CFAF O=C(Cn1cc(-c2ccsc2)nn1)c1ccccc1 64448837 OGQBDWNBZFJKFQ-UHFFFAOYSA-N 269.329 2.890 0 1 CFAF O=C(O)c1[nH]nc2c1C[C@H](c1ccccc1F)CC2 43063530 IBIKXOKLTWYROG-MRVPVSSYSA-N 260.268 2.520 0 1 CFAF CCCCc1nc2nc(N(C)C(C)C)ccc2[nH]c1=O 82231465 RUAUUAGXHOOHFN-UHFFFAOYSA-N 274.368 2.505 0 1 CFAF Nc1nc2ccccc2cc1C(=O)NCc1cccs1 95601366 UMEZIIROQPHNOY-UHFFFAOYSA-N 283.356 2.809 0 3 CFAF Oc1ccc2c(c1)-c1c3c(cc4c1[C@H](C2)NCC4)OCO3 144716069 MAWRLMCDVKBYJB-ZDUSSCGKSA-N 281.311 2.531 0 1 CFAF Cc1ccc(/C=C/c2nc3c(O)ncnc3[nH]2)cc1F 587146887 ZSOFDAYTQHSDQB-SNAWJCMRSA-N 270.267 2.676 0 1 CFAF CCc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n[nH]1 587395350 BMOKHEIFVZHALF-AWEZNQCLSA-N 271.320 2.569 0 1 CFAF COc1cc2nc(-c3cnc(Cl)nc3)[nH]c2cc1C 587085806 ITNOFBGPQSPWCJ-UHFFFAOYSA-N 274.711 2.990 0 1 CFAF Cc1ccc2nc([C@H]3CC(=O)OC3(C)C)[nH]c2c1C 586909739 LUGJVOZQFVRCBK-SNVBAGLBSA-N 258.321 2.989 0 1 CFAF OCc1ccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2c1 587089924 JFKWVHXVOASQBH-SECBINFHSA-N 282.624 2.979 0 1 CFAF COc1cccc([C@@H](C)Cc2nc3cc(=N)[nH]cc3[nH]2)c1 587929539 BPVBDLATTPOLQY-JTQLQIEISA-N 282.347 2.725 0 1 CFAF Cc1c(F)ccc2nc(-c3nc(Cl)cnc3N)[nH]c12 587086023 CCWYXNLFZBZSQH-UHFFFAOYSA-N 277.690 2.703 0 1 CFAF COc1ccc(C=O)cc1-c1nc2cc3cn[nH]c3cc2[nH]1 587787769 YBSMEJLPJFTMFX-UHFFFAOYSA-N 292.298 2.927 0 1 CFAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccc(Cl)nc2[nH]1 587961121 DHFMMJDZEQQYLC-JGVFFNPUSA-N 263.728 2.769 0 1 CFAF CN1CCc2cnn(C)c2[C@]12C(C)(C)[C@@H]1CC[C@@]2(C)C1 963954414 JSGVQQCQUDPZHO-XOKHGSTOSA-N 273.424 2.950 0 1 CFAF O=C(C1CC1)N(CCO)c1nc2ccc(Cl)cc2s1 1857541217 GGNSCQDXLRMKCG-UHFFFAOYSA-N 296.779 2.685 0 1 CFAF CN[C@@H]1Cc2cc(O)c(F)cc2[C@H]1c1ccccc1 13642476 HCULCAWCVQAJAU-GDBMZVCRSA-N 257.308 2.807 0 1 CFAF CCCCn1c2ccc(OC)cc2c2c(O)oc(=O)nc21 169721503 PYWAYOTWZPPEGV-UHFFFAOYSA-N 288.303 2.657 0 1 CFAF CC(=O)N1O[C@@H](C)C[C@@H]1Nc1ccc(Br)cc1 1636392 VMOBFJZZRBPCOR-QPUJVOFHSA-N 299.168 2.759 0 1 CFAF O=C1O[C@H]([C@@H]2Cc3ccccc3C2=O)c2ccccc21 1646151 ZWKQKSLGBZLXER-ZBFHGGJFSA-N 264.280 2.953 0 1 CFAF CN(C)c1ncnc2ccc(-c3cccnc3)cc12 4258387 SLHDOZUBVHFHNN-UHFFFAOYSA-N 250.305 2.758 0 1 CFAF c1nc(N2CCC[C@@H]3CCCC[C@@H]32)c2nc[nH]c2n1 6753083 VEHOAXRWERIIOY-QWRGUYRKSA-N 257.341 2.512 0 1 CFAF CC(=O)[C@@]12C[C@H]3CCN(C(=O)N[C@@H]1c1ccccc1)[C@@]32C 102816507 AQFFNFBQPXGTIM-JHNDHUHGSA-N 284.359 2.511 0 1 CFAF CNC(=O)N(C)[C@@H]1c2ccc(C)cc2Oc2ncccc21 28009191 IUZAEIMZGGFFNF-CQSZACIVSA-N 283.331 2.856 0 1 CFAF CC(C)CCC1(CCC(C)C)C(=N)NC(=O)NC1=O 5293894 QQYDKMNPRRUKBX-UHFFFAOYSA-N 267.373 2.662 0 1 CFAF biogenic Cc1ccc([C@@H](C)CC[C@@H](O)C(C)(C)O)c(O)c1 38273019 KTAWETOFXZGHAI-SMDDNHRTSA-N 252.354 2.716 0 1 CFAF Cc1noc(C)c1-c1ccc2c(c1)[C@](O)(C1CC1)C(=O)N2 219533836 DKDZRQKXGMEJGQ-MRXNPFEDSA-N 284.315 2.508 0 1 CFAF Cc1ccnc(Nc2nc3c(s2)CCCc2n[nH]cc2-3)n1 72119962 MJLRIKDAKGLFPG-UHFFFAOYSA-N 298.375 2.864 0 1 CFAF NC(=O)N1CCC(F)(F)c2cc(-c3cccnc3)cnc21 221456471 JXHBBNCPTVFWQK-UHFFFAOYSA-N 290.273 2.524 0 1 CFAF COc1ccc2c(=O)cc(-c3ccc4c(c3)OCO4)[nH]c2c1 49072060 ACQMNBWCSKMSJL-UHFFFAOYSA-N 295.294 2.932 0 1 CFAF CCO[C@@]12CC3=CCC[C@H](C)[C@@]3(C)[C@H](O)C1=C(C)C(=O)O2 238742399 VOXRQHWTXHNOMY-LIQONPQNSA-N 292.375 2.720 0 1 CFAF CN1CC[C@@H]2[C@@H](CCC[C@H]2NC(=O)c2ccc(F)cc2)C1 253712482 ZXUXBBXHJDRZIY-NUEKZKHPSA-N 290.382 2.676 0 1 CFAF FC(F)C(F)(F)c1nc2cc3c(cc2[nH]1)OCO3 587088992 HMEDSAOIQJHTFU-UHFFFAOYSA-N 262.162 2.649 0 1 CFAF CCCc1c(O)ccc2c1O[C@@](CO)(C(C)C)CC2=O 587478393 ATDOWBCGEDAVGV-INIZCTEOSA-N 278.348 2.697 0 1 CFAF COc1c(F)ccc(F)c1-c1nc2c(Cl)ncnc2[nH]1 587132655 HNCVZMHNSXGIFX-UHFFFAOYSA-N 296.664 2.960 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1CCC(C)(C)O1)O2 587410976 HZEXBWJXHBMVOR-KGLIPLIRSA-N 275.348 2.869 0 1 CFAF Cc1ccc([C@@]2(C)NCCc3c2c(C(C)C)nn3C)cc1N 962918025 MNVQQBNECSEVJY-GOSISDBHSA-N 298.434 2.843 0 1 CFAF O=C(c1ccc(O)cc1O)c1c[nH]c2c(O)cccc12 1857539363 LFRSFZJEJLWWMA-UHFFFAOYSA-N 269.256 2.516 0 1 CFAF Cc1nn(-c2cc(Cl)cc(Cl)c2)c(=O)c2nocc12 1857746683 CSZKJNDLOIROKN-UHFFFAOYSA-N 296.113 2.989 0 1 CFAF COc1ccc2c(c1C=O)Oc1ccc(O)c(C=O)c1O2 13484726 CFUAWJRXWGQVGT-UHFFFAOYSA-N 286.239 2.924 0 1 CFAF COc1ccc2c(c1)c1c(n2C)CC[C@H]1CNC(=O)C1CC1 13777868 AOIKAWVKVUODOC-LBPRGKRZSA-N 298.386 2.743 0 1 CFAF CO[C@@H]1N(OC)c2ccccc2[C@@]12CN=C(SC)S2 14713576 KJSKSCBVIGFOKZ-AAEUAGOBSA-N 296.417 2.702 0 1 CFAF endogenous,in-man COc1ccccc1N1C(=O)CS[C@H]1c1ccncc1 169342650 DQPGYQOATZRVKF-HNNXBMFYSA-N 286.356 2.869 0 1 CFAF COc1ccc(-c2ccc3[nH]c(CN)cc(=O)c3c2)cc1F 1857604828 VESFMLHWGPRYMJ-UHFFFAOYSA-N 298.317 2.802 0 1 CFAF O[C@]1(c2ccc(-c3ccncc3)cc2)CN2CCC1CC2 13757123 PLLNWUDDSQLENO-SFHVURJKSA-N 280.371 2.662 0 1 CFAF COc1cc(-c2cccnc2)cc2c(C)cc(=O)[nH]c12 26496115 XYEMEANKAQNHKY-UHFFFAOYSA-N 266.300 2.907 0 1 CFAF CC1(C)C[C@]2(C)[C@@H]1[C@@H]1C[C@]1(C)[C@H](O)CC[C@@]2(C)O 2356424873 XLQPEBGTWDBJAW-FDXKKBNASA-N 252.398 2.971 0 1 CFAF CC(=O)[C@@]1(c2ccccc2)CC2(CCN(C)CC2)O[C@H]1C 6001634 JAUMSTFBWCGJBW-YJBOKZPZSA-N 287.403 2.787 0 1 CFAF CC(C)CN1CCC2(CC1)Cc1ccccc1C(=O)O2 26152085 OJHCPQNKMUFCAX-UHFFFAOYSA-N 273.376 2.890 0 1 CFAF CCC/N=c1/c(-c2ccc(C(C)C)cc2)c(O)c1=O 103535414 VYNMEJJWNMACAJ-VKAVYKQESA-N 257.333 2.729 0 1 CFAF CN1CCN2C[C@@H](c3ccc(O)cc3)c3ccccc3[C@@H]2C1 25966113 KNYDPQMSVNKMHO-OALUTQOASA-N 294.398 2.826 0 1 CFAF CCC[C@H](O)CC(=O)CCc1ccc(O)c(OCC)c1 1911582178 KVAGNQVSURDTBB-ZDUSSCGKSA-N 280.364 2.844 0 1 CFAF c1ccc2c(c1)ncn2-c1ccnc(Nc2ccncc2)n1 45230226 AAQXNIIKCCBYMH-UHFFFAOYSA-N 288.314 2.954 0 1 CFAF COc1ccc(C)c2sc(NC(=O)NC3CC3)nc12 84672517 FVXDAUGNDAHAJO-UHFFFAOYSA-N 277.349 2.897 0 1 CFAF COc1ccc(-c2c[nH]c3c2-n2cccc2C3=O)cc1O 40407173 ZGMPTJKNNNXAHF-UHFFFAOYSA-N 280.283 2.731 0 1 CFAF COc1cc2ncnc(Nc3ccncc3)c2cc1OC 95589344 HJBJRPSIVVAUEY-UHFFFAOYSA-N 282.303 2.786 0 1 CFAF CCN(CC)c1ccc2cc(C(=O)C[S@](C)=O)oc2c1 299861956 MFQWEXCBEPNHOT-FQEVSTJZSA-N 293.388 2.840 0 1 CFAF COc1ccc(-c2c[nH]nc2N)cc1-c1cccc(N)c1 653873001 RIRGJNXUDXCIIK-UHFFFAOYSA-N 280.331 2.917 0 1 CFAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(F)cc(C(=O)O)c2[nH]1 587962862 KMCWZNQJHOUJSB-YUMQZZPRSA-N 290.294 2.558 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(N)c1)[C@@H](C2)C3=O 587431572 HNADXXWACIVJCO-KSSFIOAISA-N 295.338 2.940 0 1 CFAF C[C@H](F)[C@@H](N)c1nc2c(Cl)c(Cl)cnc2[nH]1 587122511 DXSABZZVIGYDAX-BBIVZNJYSA-N 263.103 2.623 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(CCc4ncccc41)[C@@H](C2)C3=O 587437368 ZCVDJHPUHNKLPB-SCLBCKFNSA-N 293.322 2.679 0 1 CFAF Nc1c(F)c(F)cc(-c2nc3cccnc3[nH]2)c1F 587137044 QCADADMXVFZILB-UHFFFAOYSA-N 264.210 2.624 0 1 CFAF COc1cc2c3c(c1)O[C@@H](C1=COCCC1)[C@@H](C2)C3=O 587454004 QQYNQLSQPGXZHF-LRDDRELGSA-N 272.300 2.506 0 1 CFAF C=CC(=O)NC(C)(C)Cc1cc2c3c(cccc3n1)CC2 587214100 WGRUCJDCHZTVMU-UHFFFAOYSA-N 280.371 2.957 0 1 CFAF CN(C)[C@H]1CCc2nc3cccc4c3c(c2C1)CC4 587212416 IMQBYJLYLMFINK-LBPRGKRZSA-N 252.361 2.752 0 1 CFAF COc1nccc2nc(C3(c4ccccc4O)CC3)[nH]c12 586897187 SWHSMDFBCMYNDS-UHFFFAOYSA-N 281.315 2.752 0 1 CFAF Cc1c(/C=C/C(=O)Nc2ccccc2)c(C(=O)O)n(C)c1C 13778862 ZOCBMANIKIGIIW-MDZDMXLPSA-N 298.342 2.992 0 1 CFAF COc1cc(/C=C/c2cc(C)n[nH]2)cc(OC)c1O 13820013 BBHITBYRRFMRKX-SNAWJCMRSA-N 260.293 2.611 0 1 CFAF CCO[C@@]12CC3=CCC[C@H](C)[C@@]3(C)[C@@H](O)C1=C(C)C(=O)O2 15054543 VOXRQHWTXHNOMY-JWSRLSBWSA-N 292.375 2.720 0 1 CFAF biogenic,in-vitro CCC(=O)O[C@H]1C[C@H]2CC3(C[C@H]2C1)OCC(C)(C)CO3 169350690 ZZTVBZHIRGHCNR-CLLJXQQHSA-N 282.380 2.898 0 1 CFAF C[C@H](C(=O)O)c1ccc2c(c1)C(=O)c1ccccc1CO2 2002426 BUQVRUQZFSMMIL-JTQLQIEISA-N 282.295 2.998 0 1 CFAF O=C(O)Cc1ccc2c(c1)C(=O)Nc1ccccc1O2 26011920 UDYHSLGZHPEHCP-UHFFFAOYSA-N 269.256 2.672 0 1 CFAF Cn1cc(C(=O)c2ccccc2)c2ccccc2c1=O 1629217 INMHDEVGSSEIAL-UHFFFAOYSA-N 263.296 2.770 0 1 CFAF O=C1NN=C(c2ccc(-n3ccnc3)cc2)[C@H]2CCCC[C@@H]12 29210509 FXPSDQOKDIWBGU-LSDHHAIUSA-N 294.358 2.513 0 1 CFAF C/C1=C/C[C@@H](O)[C@@H](C)C[C@@H]2OC(=O)[C@@H](C)[C@@H]2CC1 100780325 LAOQYXNUSDEVJK-FRUOBOFYSA-N 252.354 2.681 0 1 CFAF endogenous,in-man COC(=O)[C@@H]1[C@@H](c2ccc(C)c(F)c2)C[C@@H]2CC[C@H]1N2 28521665 QDZIBQWKRRRXAL-CTHBEMJXSA-N 277.339 2.531 0 1 CFAF O=C1OC[C@H](CO)C=C1c1ccc(Cl)c(Cl)c1 64573427 OMQNBLFJEQUYJE-ZETCQYMHSA-N 273.115 2.542 0 1 CFAF CC(C)(C)c1coc([C@H]2COCCN2C2CCC2)n1 2356488201 CPRFHSZORHWCPY-GFCCVEGCSA-N 264.369 2.898 0 1 CFAF Cc1c(C(C)C)c(=O)on1C(=O)N1[C@@H](C)CC[C@@H]1C 26937280 HILDJZYHTSGOHC-UWVGGRQHSA-N 266.341 2.714 0 1 CFAF CC[C@H](C)NC(=O)C=CC=Cc1ccc2c(c1)OCO2 2356654532 AELCSTBSEIVBBX-LBPRGKRZSA-N 273.332 2.899 0 1 CFAF FC(F)(F)c1ccn2c(-c3ccccn3)cnc2n1 28569964 UBZQMNGVBPUKCE-UHFFFAOYSA-N 264.210 2.810 0 1 CFAF COc1ccc(F)cc1CC[C@@H]1CC[C@@H](CCN)O1 35875089 FOEJRTWJHDIANT-KGLIPLIRSA-N 267.344 2.663 0 1 CFAF in-vitro O=C1COc2cc(NCc3cccc(F)c3)ccc2N1 40893633 FPVNKQBKIKVXTA-UHFFFAOYSA-N 272.279 2.769 0 1 CFAF COc1cc(CCn2cccc2)cc(OC)c1OC 40836695 QBXWACGPTOQWOS-UHFFFAOYSA-N 261.321 2.757 0 1 CFAF CCCCOc1cccc([C@@H](F)CNCC(=O)N(C)C)c1 148921949 KSCUKCRDTBCWIF-HNNXBMFYSA-N 296.386 2.554 0 1 CFAF O=c1nc2ccccn2cc1-c1cc(-c2ccccc2)[nH]n1 96934917 NFJFJJLADCFCHO-UHFFFAOYSA-N 288.310 2.752 0 1 CFAF C[C@]1(CO)[C@H]2C[C@@H]3CN(C(=O)c4ccccc4)[C@H](C2)[C@]31C 254141603 CTNCSHKEEQKIDX-INSJMTBZSA-N 285.387 2.556 0 1 CFAF O=C(O)C1(Sc2ncnc3ccccc23)CCC1 653801649 VCCMVYAZLPVESS-UHFFFAOYSA-N 260.318 2.729 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)-c1ccccc1CCC3 587562259 UIQRFRQVPCYDQE-UHFFFAOYSA-N 279.299 2.592 0 1 CFAF Cc1cc(Br)c2[nH]c(C[C@H](C)O)nc2c1 586890781 OVANUMWBRSKJDC-ZETCQYMHSA-N 269.142 2.557 0 1 CFAF N[C@H](Cc1cscn1)c1nc2cc(F)c(F)c(F)c2[nH]1 587028938 BUZBVZZIJMCHGI-SSDOTTSWSA-N 298.293 2.679 0 1 CFAF COC(=O)C[C@H](C)Cc1nc2ccc(Cl)cc2[nH]1 587783440 RDLBBXRMHSICJE-MRVPVSSYSA-N 266.728 2.958 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)-c1ccc(Cl)cc1CC3 587368123 BQRZTOZEMXLOMU-UHFFFAOYSA-N 299.717 2.855 0 1 CFAF CCCc1c(O)ccc2c1O[C@@](C)(C(OC)OC)CC2=O 587477684 DWQDCWPOTMYDHW-MRXNPFEDSA-N 294.347 2.688 0 1 CFAF Fc1ncc([C@@H]2C[C@H]3CC[C@H]2N3)cc1-c1cccnc1 1772611057 YNZDJAQJOUFZIH-VNHYZAJKSA-N 269.323 2.891 0 1 CFAF Cc1c(O)ccc2oc(=O)c3c(c12)O[C@H](C)C3(C)C 15257727 SWHQTQFJVVJCQA-MRVPVSSYSA-N 260.289 2.866 0 1 CFAF CC(=CCC[C@H](C)C(=O)O)[C@@H]1CC[C@@](C)(O)[C@H](OC=O)C1 2356414619 LVQWRRKTHOPOBM-DSJMHWKBSA-N 298.379 2.526 0 1 CFAF CC1=CC[C@@]2(CO)CO[C@H](c3ccccc3O)[C@@H]1C2 2476707 XQPYFQDHBGUIBQ-FVQBIDKESA-N 260.333 2.799 0 1 CFAF C[C@H]1CCCN(c2nc3ccsc3c(=O)s2)C1 2601992 TXFLAQKJWVFTOH-QMMMGPOBSA-N 266.391 2.954 0 3 CFAF CCN(CC)c1[nH]cnc2c3cc(OC)ccc3nc1-2 104679294 CVGHJNVFSICLJN-UHFFFAOYSA-N 270.336 2.918 0 1 CFAF CC[C@H]1CN2CC[C@H]1C[C@H]2CNCc1ccc(OC)cc1 2356305759 DBVYPDVCRPZJLK-ULQDDVLXSA-N 288.435 2.905 0 1 CFAF CC(C)N1CC[C@@H]2COC(=O)N2c2cc(F)ccc2C1 2356495482 UBQNUYCYKMRRNF-CYBMUJFWSA-N 278.327 2.765 0 1 CFAF COC(=O)C[C@@H]1[C@@H]2CC[C@@H](C[C@H]1Cc1ccccc1)N2C 194896462 ANHMPRQCQIOCSZ-QZWWFDLISA-N 287.403 2.891 0 1 CFAF CN(C/C=C/c1ccccc1)Cc1ccc2no[n+]([O-])c2c1 49807900 FNCIXBHIFCAYCF-VMPITWQZSA-N 295.342 2.606 0 1 CFAF CCOC(=O)[C@@H]1Nc2ccccc2Cn2cccc21 96908756 FXERVFAJEAEPCP-CQSZACIVSA-N 256.305 2.566 0 1 CFAF COc1nccc2nc(-c3cc(F)cc(F)c3O)[nH]c12 587134991 ZFYJSXAJJQWJDJ-UHFFFAOYSA-N 277.230 2.617 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)Cc1c(Cl)cccc1C3 587368112 BLHRWPCUBYKPGB-UHFFFAOYSA-N 299.717 2.584 0 1 CFAF O[C@H]1CC[C@@H](c2nc3cc(F)c(F)cc3[nH]2)CC1 586899412 OMPRXTPEGKSWKR-OCAPTIKFSA-N 252.264 2.860 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)-c1cc(Cl)ccc1CC3 587368830 PKSATHXQZWEXLV-UHFFFAOYSA-N 299.717 2.855 0 1 CFAF Cc1ccc(C)c2[nH]c([C@H](O)C3CCOCC3)nc12 586914239 XXCNXRMAQXZKBW-CQSZACIVSA-N 260.337 2.640 0 1 CFAF Fc1cccc([C@H]2C[C@H]2c2nc3cnncc3[nH]2)c1F 587152354 MCSYBDQBGKKKMB-RKDXNWHRSA-N 272.258 2.902 0 1 CFAF COc1cc(C)c(-c2ccc3c(O)nc(O)nc3n2)cc1C 587559048 FCIQFDSRPYEQSZ-UHFFFAOYSA-N 297.314 2.728 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1occc1C(=O)O)O2 587404443 QJEDVABNLSWLLL-GFCCVEGCSA-N 287.271 2.575 0 1 CFAF OCc1cccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 586895023 LFHJTFSUCCFJGO-UHFFFAOYSA-N 296.326 2.884 0 1 CFAF Oc1nc2cc3nc(COc4ccc(F)cc4)[nH]c3cc2[nH]1 587169756 JUTJUYDNNVXHLY-UHFFFAOYSA-N 298.277 2.863 0 1 CFAF NC[C@]1(c2ccc(F)cc2)NCCc2cc(Cl)ccc21 963381349 VUAYWPWPXARRBH-MRXNPFEDSA-N 290.769 2.827 0 1 CFAF COc1cc(O)c(C(=O)c2ccccc2)c(OC)c1C 14814536 AYPULZBIRZUIIQ-UHFFFAOYSA-N 272.300 2.949 0 1 CFAF C[C@H]1[C@H](O)CCC(C)(C)[C@@]12CC=C(C(=O)O)CC2 1857542761 ITRPDIHLZQSHRU-JVLSTEMRSA-N 252.354 2.985 0 1 CFAF O=C(NCc1ccc(F)cc1)Nc1ncc([N+](=O)[O-])s1 231463421 DJLQNFFDIGNMTO-UHFFFAOYSA-N 296.283 2.512 0 1 CFAF CC(C)n1cnc2c(NCc3ccco3)ncnc21 13538246 DEPBEEZQRHODQY-UHFFFAOYSA-N 257.297 2.612 0 1 CFAF Cc1cc2c(c(C)c1[C@H](O)CO[N+](=O)[O-])CC(C)(C)C2 14516090 PUOMJMFPVFGPJF-CYBMUJFWSA-N 279.336 2.670 0 1 CFAF CC(C)[C@@]1(O)CC[C@@H](C)[C@@H]2CCC(C(=O)O)=C[C@@H]21 14918551 KVTLNGYYQZVFIT-HTUGSXCWSA-N 252.354 2.841 0 1 CFAF OC[C@@]1(c2ccc(Cl)c(Cl)c2)CCCNCC1 204907178 XUOKRSFCQZECDU-CYBMUJFWSA-N 274.191 2.997 0 1 CFAF COc1ccc([C@@H](O)c2[nH]c3ccccc3c2CCN)cc1 1857571053 HNJZXOUJNPAONX-GOSISDBHSA-N 296.370 2.759 0 1 CFAF C[C@@H]1CCCC[C@@H]1Nc1nc2ccccc2n2nnnc12 6752102 JLPJQNIJELYAMQ-MNOVXSKESA-N 282.351 2.663 0 1 CFAF CC(=O)[C@H](C)[C@@H](O)[C@@H](C)c1ccc(C)c(C=CCO)c1 2356441885 HNLMCZDKGJJNMG-GDZNZVCISA-N 276.376 2.690 0 1 CFAF CN1[C@H]2CC[C@H]1CC(N1CCN(c3ccccc3)C1=O)C2 100797954 BWPHGULCYNWJMW-GJZGRUSLSA-N 285.391 2.554 0 1 CFAF CCCNC1=C(c2ccc(Br)cc2)C(=O)OC1 66074044 VTUOFQCEZAEIEK-UHFFFAOYSA-N 296.164 2.717 0 1 CFAF CC1=CC[C@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1C(=O)O 2356497117 AYUMAVFCZFWXOW-IDTSFGKNSA-N 266.337 2.935 0 1 CFAF COc1ccc(Cn2cc(-c3ccc(O)cc3)nn2)cc1 64540204 OBLQLKXHIWSSPM-UHFFFAOYSA-N 281.315 2.708 0 1 CFAF O=C(/C=C/c1ccccc1)/N=c1/[nH]nc(-c2ccccc2)[nH]1 73163937 RNQXNPUGJDIXHR-VAWYXSNFSA-N 290.326 2.546 0 1 CFAF CN(Cc1ccccc1)Cc1cccc(CNC=O)c1 71418562 SUMMFLAJYHAVKB-UHFFFAOYSA-N 268.360 2.565 0 1 CFAF c1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)ccn1 223675207 OFHDAGWTOJRLIO-LLVKDONJSA-N 297.387 2.527 0 1 CFAF O=C(O)c1ncnc(-c2ccc(Cl)c(Cl)c2)c1O 299869667 VBMGLJRHQFZTOY-UHFFFAOYSA-N 285.086 2.854 0 1 CFAF CN1CCc2cc3oc(=O)[nH]c3cc2[C@H](c2ccccc2)C1 299834606 USQVNDTUQKYGMB-HNNXBMFYSA-N 294.354 2.741 0 1 CFAF C[C@]1(C(N)=S)CC(=O)c2ccc3c(c2O1)CCCC3 587532929 QIAOBOGWACBQNF-OAHLLOKOSA-N 275.373 2.575 0 1 CFAF CC(C)(C)c1cccc2nc(CC3OCCO3)[nH]c12 586907463 GOQFGNSGTTVPDO-UHFFFAOYSA-N 260.337 2.776 0 1 CFAF CN(C)c1ccc(-c2nc3nccc(Cl)c3[nH]2)nc1 587194189 AGENSCRBGCHKRB-UHFFFAOYSA-N 273.727 2.739 0 1 CFAF Cc1c(Br)cnc2[nH]c([C@H]3CC[C@@H](N)C3)nc12 587246147 FCDAEVKTYXRYKE-JGVFFNPUSA-N 295.184 2.624 0 1 CFAF CC[C@@H]1OCCC[C@H]1c1nc2ccc([C@H](N)N=O)cc2[nH]1 586907581 BCNFTLNQHPUUIT-DDTOSNHZSA-N 288.351 2.959 0 1 CFAF CCn1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 587392360 SXQPTOZVQSFDSS-AWEZNQCLSA-N 271.320 2.500 0 1 CFAF Nc1cc(F)c(-c2nc3cc(Cl)cnc3[nH]2)cc1N 587135837 GDDZPXBVZJCTFT-UHFFFAOYSA-N 277.690 2.582 0 1 CFAF COC(=O)c1cccc2[nH]c(-c3ccc(CO)cc3)nc12 586895688 UBKOPJSHASTMQW-UHFFFAOYSA-N 282.299 2.509 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1nccn1C(C)C)[C@@H](C2)C3=O 587430417 HVYNCLGHJHUEPT-LRDDRELGSA-N 298.342 2.961 0 1 CFAF COC(=O)CCCC[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587401436 YAVNNTNUYQYGNW-LLVKDONJSA-N 291.347 2.644 0 1 CFAF CN1C(=O)[C@H]2O[C@H](c3ccccc3)[C@@H]1[C@H]2c1ccccc1 13414899 QVGJMLNUOQHRAS-TWMKSMIVSA-N 279.339 2.751 0 1 CFAF endogenous,in-man CCOC(=O)[C@H](Cc1ccccc1)C(=O)c1ccco1 15780226 PYUKOVBHVIMAJY-CYBMUJFWSA-N 272.300 2.884 0 3 CFAF CC[C@@H](C)[C@H]1OC(=O)c2c(O)c(C)cc(C)c2[C@@H]1O 205954176 GFNHLBAMMYVPFE-IYCUSSIYSA-N 264.321 2.628 0 1 CFAF Cc1cc(O)c2c(c1)C[C@H]1C=C(O)C=C(O)[C@@H]1C2=O 2356455549 YHUOZCXVROYNPG-LKFCYVNXSA-N 258.273 2.569 0 1 CFAF Cc1ccn2c(CN(C)C)c(-c3ccc(O)cc3O)nc2c1 103214667 VAYRKWXGGPOOQS-UHFFFAOYSA-N 297.358 2.783 0 1 CFAF CS(=O)(=O)Nc1cc(Cl)cc2c3cc[nH]cc-3nc12 100958101 KOXXGGWDLJEGBA-UHFFFAOYSA-N 295.751 2.693 0 1 CFAF Nc1nccn2c(C3CCC3)nc(-c3ccc(O)cc3)c12 28885068 IFFYEOFEALNSHP-UHFFFAOYSA-N 280.331 2.952 0 1 CFAF Cc1cnc(-c2nc(-c3cccc4[nH]ccc34)no2)cn1 20255596 ROKIZTWZTHYHPQ-UHFFFAOYSA-N 277.287 2.983 0 1 CFAF O=C(O)C[C@@]12N[C@@](Cl)(Cc3ccccc31)c1ccccc12 27891844 CBSZYTKTSSEDCP-SJORKVTESA-N 299.757 2.956 0 1 CFAF COC(=O)c1occ2c1C(C)=C1C[C@@](C)(CO)C[C@H]1C2 2356585627 WUGZRDYLMJPRIL-HWPZZCPQSA-N 276.332 2.804 0 1 CFAF COc1cc([C@@H]2O[C@@]3(C)O[C@@]4(C)C[C@H]3[C@@H]2CO4)ccc1O 2356802957 WPHOQMWSFQDPPY-FQDAJMMCSA-N 292.331 2.587 0 1 CFAF O=C1C=C(Cl)[C@@](O)(c2ccccc2)N1Cc1ccccc1 224823777 PSAAJCUJOJAQJZ-KRWDZBQOSA-N 299.757 2.997 0 1 CFAF CCOC(=O)c1cc(COc2cccc3cccnc23)on1 45336395 AKBHHZLVIGEYAS-UHFFFAOYSA-N 298.298 2.979 0 1 CFAF COc1cc(O)c(C(=O)c2ccccc2F)c(OC)c1 49109827 ZVMJVOOHVFHMNW-UHFFFAOYSA-N 276.263 2.780 0 1 CFAF CCCN1CCCC[C@H](NC(=O)c2ccccc2C)C1=O 199262622 KKQBCKXGMUVRCN-HNNXBMFYSA-N 288.391 2.516 0 3 CFAF CC(C)CCNc1ccc(F)c([C@]2(C)COCC(N)=N2)c1 143107129 VGSIYGKAKNKCHH-INIZCTEOSA-N 293.386 2.886 0 1 CFAF CCC1=C[C@@](CC)(C[C@@H](CC)[C@@H](O)[C@@H](O)CC)OC1=O 238777372 BDLUQCFNXXOLMR-UZMCECQYSA-N 284.396 2.577 0 1 CFAF CC1=N[C@](C)(c2cccc(-c3cccnc3)c2)N=C1N 95575020 GGFQOAKBKNUHNP-INIZCTEOSA-N 264.332 2.753 0 1 CFAF CC(=O)Oc1cccc([C@@H]2CN3CCCC[C@H]3CO2)c1 299847065 SENYZNMJSULWOI-HOCLYGCPSA-N 275.348 2.538 0 1 CFAF NC(=O)[C@@H]1CCCc2c(-c3nc4ccccc4s3)n[nH]c21 299859436 FSMILAOZICPNNT-SECBINFHSA-N 298.371 2.592 0 1 CFAF COC(=O)C[C@H]1CCc2c1nc1cccc3c1c2CC3 587212718 CDLAIBFYMCWEAN-LLVKDONJSA-N 267.328 2.926 0 1 CFAF CC(C)[C@@](C)(O)c1nc2cc(Br)ncc2[nH]1 586885578 CDBVWJXVSPBBGR-LLVKDONJSA-N 284.157 2.584 0 1 CFAF Cc1c(F)cc(-c2nc3ccnc(O)c3[nH]2)cc1F 587132649 HEWXOTDLSQNVBC-UHFFFAOYSA-N 261.231 2.917 0 1 CFAF Nc1cc(F)c(-c2nc3cncc(Cl)c3[nH]2)cc1N 587136832 WYYAVUNGJJZSGJ-UHFFFAOYSA-N 277.690 2.582 0 1 CFAF Oc1c(F)cc(F)cc1-c1nc2c(Cl)ncnc2[nH]1 587134092 LLUXXJJTRMPDBK-UHFFFAOYSA-N 282.637 2.657 0 1 CFAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc[nH]c(=N)c2[nH]1 587930816 PWPRDIJAYNENNL-APPDUMDISA-N 294.358 2.824 0 1 CFAF FC(F)COc1cccc(-c2nc3ccncc3[nH]2)n1 587124397 OBUYIALNMMMORI-UHFFFAOYSA-N 276.246 2.664 0 1 CFAF C[C@@H](Cc1nc2cnc3ccccc3c2[nH]1)N(C)C 587191579 MNSGHLMNVQGPNE-JTQLQIEISA-N 254.337 2.604 0 1 CFAF COCC(=O)Cc1nc2ccc(C(C)(C)C)cc2[nH]1 587563100 LPDHCVSBFYAMGV-UHFFFAOYSA-N 260.337 2.618 0 1 CFAF Fc1cc2nc(COC(F)(F)F)[nH]c2cc1F 587125333 RSVBCBKAMVZFSV-UHFFFAOYSA-N 252.142 2.878 0 1 CFAF Cc1cnc2[nH]c(-c3cc(C(F)(F)F)nn3C)nc2c1 587116742 COCXSDOIQOEQKQ-UHFFFAOYSA-N 281.241 2.686 0 1 CFAF COc1cc2[nH]c(-c3oc4c(c3C)[C@H](O)CCC4)nc2cn1 586903298 IMVDSZYEMHNXKQ-LLVKDONJSA-N 299.330 2.905 0 1 CFAF COc1ncc(F)cc1-c1nc2nccc(Cl)c2[nH]1 587176606 XMGQWRHYYHFAED-UHFFFAOYSA-N 278.674 2.821 0 1 CFAF NC(=O)c1cccc2nc(-c3ccc(O)cc3Cl)[nH]c12 587056163 ZLQVIYJCIQKPRU-UHFFFAOYSA-N 287.706 2.688 0 1 CFAF COc1cncc2[nH]c(-c3ccc(Br)o3)nc12 587007430 XOHQHMWUIBCVIL-UHFFFAOYSA-N 294.108 2.989 0 1 CFAF O=C(O)C[C@H]1Cc2nc3cccc4c3c(c2C1)CC4 587215895 WKXLKHHHVSARKR-SECBINFHSA-N 253.301 2.523 0 1 CFAF O=C(O)Cc1ccc(Cc2nc3ccccc3[nH]2)cc1 587961235 KORSLKNZWPCMFH-UHFFFAOYSA-N 266.300 2.781 0 1 CFAF C[C@H](F)[C@H](N)c1nc2cc(Cl)nc(Cl)c2[nH]1 587122881 GXELYZKCVGUTKO-DZSWIPIPSA-N 263.103 2.623 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ncc(C)s1)[C@@H](C2)C3=O 587453145 UYLFNGPOJWSTNW-HZMBPMFUSA-N 287.340 2.949 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](c1cn(C)cn1)CC2=O 587472090 XVQUCOKXZWPFBM-HNNXBMFYSA-N 286.331 2.785 0 1 CFAF N#CN1CC[C@@H](Nc2ncc(-c3ccccc3)s2)C1 1857597632 NGGCAOXWXCYHOJ-GFCCVEGCSA-N 270.361 2.777 0 1 CFAF CCCOCc1cn(-c2ccc(Cl)cc2)nn1 1857629464 VKWZUKVOAICUOR-UHFFFAOYSA-N 251.717 2.847 0 1 CFAF COC(=O)/C=C/[C@@H]1[C@@H]2[C@@]1(C)[C@@H](C)CC[C@]21OCCS1 5833878 KEMPVPODOJBOPZ-JSBRNLNOSA-N 282.405 2.858 0 1 CFAF COC(C/C=C\[C@@H](O)[C@@H](C)OCc1ccccc1)OC 12477942 VQFCTNUGJJZSHM-XCEBJIORSA-N 280.364 2.518 0 3 CFAF CCOC1=N/C(=C(\C)Cl)c2ccccc2[C@H](C(=O)O)N1 13739637 IMVHJSFNICKILG-JATZPVMKSA-N 294.738 2.735 0 3 CFAF O[C@](c1ccccc1)(c1ccc(F)cc1)c1cncnc1 28768549 SJIBRANLJCPUBV-QGZVFWFLSA-N 280.302 2.900 0 1 CFAF C[C@H](SC(=S)N(C)Cc1cccs1)C(=O)O 530346 CREXPIAIZFTJSP-ZETCQYMHSA-N 275.420 2.671 0 3 CFAF c1ccc2c(N3CCOCC3)nc(-c3ccoc3)nc2c1 4239380 UJUDVTFDRDPLOW-UHFFFAOYSA-N 281.315 2.726 0 1 CFAF COc1ccc(C2=NNC[C@H]2c2ccccc2)c(OC)c1 103213109 FXYXNBWKAUGOJS-HNNXBMFYSA-N 282.343 2.795 0 1 CFAF CC(C)Sc1ccc2c(c1)[C@@H](O)[C@@H](N)CCC2 26649832 LEXUCCXFMRYCES-UONOGXRCSA-N 251.395 2.884 0 1 CFAF Cc1cc(C)c(C(=O)OC2CCN(C)CC2)cc1C 29324115 LGBUHJHHOFLUAN-UHFFFAOYSA-N 261.365 2.863 0 1 CFAF Cc1c(C(C)C)c(=O)on1C(=O)N1CCc2ccccc21 39139571 GPARFESYECHAGS-UHFFFAOYSA-N 286.331 2.904 0 1 CFAF CCOC(=O)c1cn2c3c(cccc3c1=O)OC[C@@H]2CC 1911574029 SAPDOEGDCIZRSD-JTQLQIEISA-N 287.315 2.522 0 1 CFAF Cc1cc2c(N)nc(N)nc2cc1-c1ccccc1 72112560 RHPGXKNMHAITAC-UHFFFAOYSA-N 250.305 2.770 0 1 CFAF CC[C@@H](C)Oc1ccc2nc(N)nc(N)c2c1Cl 45193810 IAQKYTVDDSJROV-ZCFIWIBFSA-N 266.732 2.625 0 1 CFAF C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)OCC4=C3C=C[C@]21C 40631710 NZWFKVWCAKLIHV-SIUPPRGNSA-N 286.371 2.913 0 1 CFAF Nc1ccc(-c2ccncc2)cc1NC(=O)C1CCOCC1 143899036 QOXDPHKBAHJSPC-UHFFFAOYSA-N 297.358 2.696 0 1 CFAF COc1cc2c(=O)c(O)c(-c3ccccc3)oc2cc1O 238787178 GLDIMQZMERRBTJ-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF COC(=O)C1=C(C)[C@@]23CC[C@@H](C)[C@@H]2CC[C@@]3(C)[C@H]1O 238769403 DZFYCBVMBWCTAG-PVKPLURLSA-N 264.365 2.683 0 1 CFAF O=C1Nc2ccccc2C[C@@]12CCCN2Cc1ccccn1 299849857 FZDHCWCDHGGYDP-SFHVURJKSA-N 293.370 2.611 0 1 CFAF Cn1c2c(c(=O)c3ccccc31)-c1ccccc1C2=O 473151002 OBNFYWGSQNSOJI-UHFFFAOYSA-N 261.280 2.750 0 1 CFAF COc1cc2c(c3c1OC(C)(C)CC3=O)C[C@@H](C)OC2=O 653857012 KWFWITMTZVXDQD-MRVPVSSYSA-N 290.315 2.540 0 1 CFAF O=C(CCc1ccccc1)c1nc2ccncc2[nH]1 587954294 NNEPTAHGZWEABT-UHFFFAOYSA-N 251.289 2.773 0 1 CFAF COc1cccc(C)c1-c1nc2ccc(C(=N)N)cc2[nH]1 587787113 QEVKKCYDSADKRG-UHFFFAOYSA-N 280.331 2.831 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]ccc1=N)CC2=O 587473484 VZYWXWFTVSMNLR-INIZCTEOSA-N 298.342 2.859 0 1 CFAF Cc1ncsc1CCc1nc2ccc(CO)cc2[nH]1 587028644 YEOOGQMEXIQKBU-UHFFFAOYSA-N 273.361 2.605 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1cncn1C(C)C)[C@@H](C2)C3=O 587432585 WYEAYPWLTHPIJG-SJCJKPOMSA-N 298.342 2.961 0 1 CFAF O=C1C[C@]2(CCC[C@H]2O)Oc2c1ccc1c2CCCC1 587529789 DMSGIMNNLSVWGL-WBVHZDCISA-N 272.344 2.814 0 1 CFAF O[C@H]1CC[C@@H](c2nc3c(Br)ccnc3[nH]2)CC1 586898479 IJNLRFCGAVSZJP-OCAPTIKFSA-N 296.168 2.739 0 1 CFAF Cc1ccc2nc([C@@H](C)Sc3ncccn3)[nH]c2n1 586962971 CZWKFVFTUCLLCG-SECBINFHSA-N 271.349 2.910 0 1 CFAF FC(F)(F)[C@@](F)(Cl)c1nc2nc(Cl)c[nH]c-2n1 587090815 YITQMHVVGNJIKQ-ZCFIWIBFSA-N 289.019 2.881 0 1 CFAF Cc1nonc1[C@@]1(C)c2c(F)cccc2C[C@H]2CCCN21 963086675 BTCWRXSKPFYBTO-MLGOLLRUSA-N 287.338 2.801 0 1 CFAF O=c1cc(-c2ccc3c(c2)OCO3)oc2cc(O)cc(O)c12 13334826 LHUUGUDSYBWEPF-UHFFFAOYSA-N 298.250 2.600 0 1 CFAF C[C@H](Oc1ccccc1-c1ccc(O)cc1)C1=NCCN1 13585588 LFMHROBTZOFVNB-LBPRGKRZSA-N 282.343 2.828 0 1 CFAF CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCCN(C)C1 14969308 HGPOZORNFWQRHW-INIZCTEOSA-N 297.345 2.782 0 1 CFAF COCCN1CCC[C@@]2(C)[C@]3(C)CCC[C@]12OC(=O)C3 169352655 YXPRHPMSVDJBSO-OWCLPIDISA-N 281.396 2.568 0 1 CFAF O=c1cc(Oc2cccc(O)c2)oc2cc(O)cc(O)c12 200361035 GOFKYYQWJNZNHQ-UHFFFAOYSA-N 286.239 2.702 0 1 CFAF CN(C)CCc1c[nH]c2ccc(C3=CCN(C)CC3)cc12 23516 RQTZMTMTBWAQAI-UHFFFAOYSA-N 283.419 2.991 0 1 CFAF O=c1[nH]c2cc(Cl)ccc2c(O)c(-c2ccco2)c1=O 26834877 BASHRDUEQGBANC-UHFFFAOYSA-N 289.674 2.507 0 1 CFAF N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2ccccc12 113276127 WLHVIKYUGAMKMS-UHFFFAOYSA-N 278.267 2.906 0 1 CFAF N#Cc1ccc(C(=O)Nc2ccc([C@@H]3CCNC3)cc2)cc1 117719306 LZUKBOSABJKGCG-MRXNPFEDSA-N 291.354 2.887 0 1 CFAF CCC=CC[C@H](O)C=CC=C[C@@H]1CC[C@@H](O)[C@H](C)N1C 2356486452 SSXVPIUBXLMMTO-VVLHAWIVSA-N 279.424 2.660 0 1 CFAF O=C1Oc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]12 2356748831 WNGYYRCTIGAIQX-ZFWWWQNUSA-N 266.252 2.538 0 1 CFAF Cc1ccc([C@H](c2ccns2)N2CCN(C)CC2)cc1 28256220 PXQCDMNYOWOQJK-MRXNPFEDSA-N 287.432 2.788 0 1 CFAF CC(C)c1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21 36270519 XZWBTHWEZHVQCP-LBPRGKRZSA-N 298.308 2.929 0 1 CFAF CCSC(=O)CCc1cc(OC)c(OC)c(OC)c1 73138907 LRPNHQQKWGNQJV-UHFFFAOYSA-N 284.377 2.925 0 1 CFAF COc1cccc(Cn2nncc2Cc2ccccc2)c1 73137843 NNSXLYGBTQHGDZ-UHFFFAOYSA-N 279.343 2.926 0 1 CFAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1[C@H](O)C[C@@H]2O 238753531 QVQMPLATUBCZMQ-MCEUPANISA-N 288.387 2.580 0 1 CFAF OCC[C@@]12CCCN3CC[C@@]4(c5ccccc5N[C@H]4CC1)[C@H]32 238747896 XSMCTYIPFHFOEM-MANSERQUSA-N 298.430 2.749 0 1 CFAF CC(C)(C)c1ccc2nc([C@H](O)C3CCOCC3)[nH]c2n1 586917706 UQQLPPMDGCOEKG-CYBMUJFWSA-N 289.379 2.715 0 1 CFAF CCc1oc2ccccc2c1-c1nc2c(N)ncnc2[nH]1 586903657 MHQCTRCYOYCZQX-UHFFFAOYSA-N 279.303 2.911 0 1 CFAF COCC[C@@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440902 IKZSESHKSBEGJE-DYVFJYSZSA-N 290.359 2.874 0 1 CFAF COc1c(-c2ccccn2)[nH]c2c(C(=O)O)cccc12 587639387 UKMHZSZIMXEQLW-UHFFFAOYSA-N 268.272 2.937 0 1 CFAF Oc1cccc2c1OCC(c1nc3c(O)cccc3[nH]1)=C2 586908202 MGSDMWZCKISNOK-UHFFFAOYSA-N 280.283 2.907 0 1 CFAF Cc1ccc2nc([C@H]3NCCc4ccc(O)cc43)[nH]c2c1 963350745 DGYJOQAODQUMDP-INIZCTEOSA-N 279.343 2.812 0 1 CFAF CCOC(=O)C1=C(C)OC(=O)C[C@H]1c1ccccc1 169658136 QARIBIJPTFRIBS-LBPRGKRZSA-N 260.289 2.554 0 1 CFAF 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587246823 OUTLKOJLERJIPM-NJGYIYPDSA-N 257.671 2.699 0 1 CFAF Cc1ccc2c(c1)CC[C@]21NCCc2nc3ccccn3c21 962992865 ZFISACRHYSTINE-IBGZPJMESA-N 289.382 2.978 0 1 CFAF C[C@H]1c2c[nH]c3cccc(c23)S[C@@H]1c1nnn[nH]1 13649073 HBBWLDWCRPSAKO-KGFZYKRKSA-N 257.322 2.632 0 1 CFAF COc1ccc([C@H]2CCN(C=O)C2)cc1OC1CCCC1 13741083 UBWPPPJBQAHXLM-AWEZNQCLSA-N 289.375 2.962 0 1 CFAF O=C(O)CC[N+]1=CCC(c2ccccc2)(c2ccccc2)O1 17216541 FLGBTDXHTZDCSQ-UHFFFAOYSA-O 296.346 2.824 0 1 CFAF Cc1nn(C)c2nc3cccc(NCCCN(C)C)c3cc12 169330800 LQVZCVJZKWCRRC-UHFFFAOYSA-N 297.406 2.794 0 1 CFAF Fc1ncccc1CN[C@H]1[C@H]2Cc3ccccc3[C@H]21 1857538311 DNMIAIGQEGAQII-ZNMIVQPWSA-N 254.308 2.649 0 1 CFAF C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cc(Cl)cc(Cl)c1 56992353 DLXDOKNGJXKCNQ-ISVAXAHUSA-N 290.190 2.925 0 1 CFAF FC(F)(F)c1ccc2c(c1)C[C@@]1(CC2)CN=CN1 27329781 LFCQTNNCIIEJOC-LBPRGKRZSA-N 254.255 2.564 0 1 CFAF OC12C[C@@H]3CC(C[C@H](C3)C1)N2CCc1ccc(F)cc1 101437593 GPUFACMHGXJOBZ-JCAIJIATSA-N 275.367 2.951 0 1 CFAF Oc1cccc([C@]23C=C[C@H](O)C[C@H]2CN(CC2CC2)CC3)c1 27628553 JUBSDBJDLKODFS-YTQUADARSA-N 299.414 2.683 0 1 CFAF CC(C)[C@H](O)[C@H](O)Oc1c2c(cc3ccoc13)C=CCO2 2356565490 YHXKSZIXAVCDGH-BLLLJJGKSA-N 290.315 2.553 0 1 CFAF CC1=CCC(=O)[C@H](C)C[C@@H]2OC(=O)[C@@H](C)[C@@H]2CC1 2356618250 KLZWSNKEPLKAOS-UHXUPSOCSA-N 250.338 2.890 0 1 CFAF Fc1ccccc1-c1nc(CNc2cc[nH]n2)co1 72102351 QMBPUQKWERSPMR-UHFFFAOYSA-N 258.256 2.816 0 1 CFAF COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1F 40957096 VOSYPTXKTNWRPD-UHFFFAOYSA-N 292.314 2.704 0 1 CFAF CC1(C)CC(=O)N(Nc2ccc(Br)cc2)C1=O 40933903 CQEMVQFIVPQFTC-UHFFFAOYSA-N 297.152 2.561 0 1 CFAF CCOc1ccc(-c2cc(NCCCOC)ncn2)cc1 82161742 NVBOYFDVXNCDQT-UHFFFAOYSA-N 287.363 2.991 0 1 CFAF O=C(O)c1nc2ccc3ccccc3n2c1Br 40465083 BYICYNKWHXJRRS-UHFFFAOYSA-N 291.104 2.948 0 1 CFAF C[C@@H](O)Cc1nc2cc(Cl)cc(Br)c2[nH]1 586890861 PBLKEROPSFLSMH-RXMQYKEDSA-N 289.560 2.902 0 1 CFAF CC(=O)NC1(c2nc3c(C)ccnc3[nH]2)CCC(C)CC1 587234906 YOBWYTZAYPBBNQ-UHFFFAOYSA-N 286.379 2.808 0 1 CFAF Cc1c(-c2cc3c4c(cccc4n2)CC3)cnc2ncnn12 587213039 XIMNHPQFHYKKGJ-UHFFFAOYSA-N 287.326 2.747 0 1 CFAF CC(C)[C@H](N)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587259481 SFTQUDBLABPZQB-ZDUSSCGKSA-N 273.315 2.544 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nc(C)nc1C)O2 587394731 ZPILRUHMQRYIER-OAHLLOKOSA-N 297.358 2.999 0 1 CFAF O=C(O)c1ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 586905015 XEGPUGRXWNAXAF-SWLSCSKDSA-N 294.310 2.830 0 1 CFAF CC(C)[C@H](N)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587259534 USXCGLRRPREOAK-QMMMGPOBSA-N 261.222 2.775 0 1 CFAF CCCC1(c2nc3c(C(=O)OC)ccnc3[nH]2)CCC1 586877655 JJPJHWZJGGNHLJ-UHFFFAOYSA-N 273.336 2.966 0 1 CFAF CC(=O)c1ccccc1[C@@H]1NCCc2ccc(O)cc21 963343853 XNJAHCXCKSIBSU-KRWDZBQOSA-N 267.328 2.830 0 1 CFAF C[C@]1([C@H]2CCCS2)c2ccsc2CCN1C(N)=O 962708011 JJOBQQRBDSXYHL-DGCLKSJQSA-N 282.434 2.796 0 1 CFAF Cn1cc([C@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)cn1 963099286 HBXIRJMKDLARSH-WMLDXEAASA-N 285.366 2.843 0 1 CFAF Cc1cccc2c(=O)n(-c3ccc(F)cc3F)cnc12 1857534255 DGSRXPVSFDOYMB-UHFFFAOYSA-N 272.254 2.972 0 1 CFAF NCCn1c(-c2ccccc2)nc2cc(Cl)ccc2c1=O 1772630766 QOWAEYZXMPTATE-UHFFFAOYSA-N 299.761 2.676 0 1 CFAF COc1ccccc1CNC(=O)c1ccc2ccncc2n1 5929219 LGMCZTWUUWCXME-UHFFFAOYSA-N 293.326 2.568 0 1 CFAF COc1cccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c1 14806589 RRBWQNNVMSQYDT-AWEZNQCLSA-N 286.283 2.813 0 1 CFAF CCN(CC)c1cc(NC(=O)c2cccc(F)c2)ncn1 169303960 ZGMMFIVBWLMADB-UHFFFAOYSA-N 288.326 2.714 0 1 CFAF Cc1nc2cnccc2n1-c1ccc(C(=O)NC2CC2)s1 169701612 NDMSDOWEGXHJMB-UHFFFAOYSA-N 298.371 2.683 0 1 CFAF COC(=O)c1c(O)ccc2c1[C@@H]1COc3ccccc3[C@@H]1O2 6482612 HUEIDPMALRFMJO-QFYYESIMSA-N 298.294 2.789 0 1 CFAF C[C@@H](C(=O)OC1C[C@H]2CC[C@H](C1)N2C)c1ccccc1 102998923 ABQUDUAAINLKTQ-BPLDGKMQSA-N 273.376 2.959 0 1 CFAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1cccs1)O2 101501480 BFJBGRWXGVSGLZ-MIZYBKAJSA-N 252.335 2.572 0 1 CFAF CC1(C)CC(C)(C)c2c1nnc(-c1ccccc1)[n+]2[O-] 27553050 YSZDGRORBSOGTH-UHFFFAOYSA-N 269.348 2.736 0 1 CFAF NC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3)cc2)N1 144741864 OKBUYONUIPCSBT-SJORKVTESA-N 296.370 2.544 0 1 CFAF N=C(N)Nc1nnc(-c2ccc(C(F)(F)F)cc2)s1 27998520 BKMCCTKXAZFEEK-UHFFFAOYSA-N 287.270 2.529 0 1 CFAF CC1(C)CC([C@H](N)C(=O)N2CC[C@@H]3C[C@@H]32)CC(C)(C)C1 28824953 RVJLKDVCEAWMIO-XBFCOCLRSA-N 278.440 2.787 0 1 CFAF NC[C@@H]1CC[C@@H](CCc2c(F)c(F)c(F)c(F)c2F)O1 34639699 IBMMANZZPBFJNC-BQBZGAKWSA-N 295.251 2.821 0 1 CFAF CC(C)NC(=O)/C=C1\CCc2c(F)cc(F)cc21 27406539 NXJQHWRBWAXVLU-WEVVVXLNSA-N 251.276 2.819 0 1 CFAF CC(=O)O[C@@H]1C=C(C)C[C@H](O)[C@H](O)C(C)=CC[C@@H]1C(C)C 2356584532 GWHDNXVDPMZMEC-YYIAUSFCSA-N 296.407 2.599 0 1 CFAF O[C@@]1(Cc2ccccc2Cl)c2ccccc2C2=NCCN21 34821380 FIYKXALWENHXFV-KRWDZBQOSA-N 298.773 2.804 0 1 CFAF Fc1cccc(-c2cncc(CNC3CC3)n2)c1F 71333493 IGUYCJAGPGUVLQ-UHFFFAOYSA-N 261.275 2.674 0 1 CFAF O=C(O)c1cc2ccn(Cc3ccc(F)cc3)c2cn1 45319190 XHJOZDWPZWBQGH-UHFFFAOYSA-N 270.263 2.922 0 1 CFAF CN(C)c1ccc(-n2cnc3c(Cl)ncnc32)cc1 82156855 VSSMBOZIZXXYPX-UHFFFAOYSA-N 273.727 2.535 0 1 CFAF C/C1=C/CC(=O)[C@H](C)C[C@@H]2OC(=O)[C@H](C)[C@H]2CC1 257465009 KLZWSNKEPLKAOS-AEARZTJRSA-N 250.338 2.890 0 1 CFAF endogenous,in-man CCC[C@@H](C)NC(=O)c1nc(-c2ccccc2)cnc1N 473096857 AWACAZHHYUFNHD-LLVKDONJSA-N 284.363 2.644 0 1 CFAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(=N)[nH]cc2[nH]1 587196398 UIRYWMCZIFPNSQ-JTQLQIEISA-N 281.363 2.588 0 1 CFAF O=C(O)/C=C\c1ccccc1-c1nc2cc(F)cnc2[nH]1 586878140 AFPJBFKLLFDGKS-WAYWQWQTSA-N 283.262 2.862 0 1 CFAF N=c1cc2nc(COC/C=C\c3ccccc3)[nH]c2c[nH]1 587781896 YQMJBLTZJGQERR-DAXSKMNVSA-N 280.331 2.600 0 1 CFAF C=C1NC(=O)NC=C1c1cc2c3c(cccc3n1)CC2 587212203 QFHRXRCITMPQHL-UHFFFAOYSA-N 263.300 2.501 0 1 CFAF N=c1[nH]ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586893877 ZBHSDAVBMVKLRJ-ZSYFIWHWSA-N 268.364 2.838 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2CCO[C@H]2C12CCC2 587406291 AVTHOZPKRYSNIK-BJOOFOGMSA-N 299.370 2.870 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3ccc(N)cc31)O2 587388904 HSPXWHSSMIJTFT-SFHVURJKSA-N 294.354 2.966 0 1 CFAF COc1cccc(C)c1-c1nc2ccnc(O)c2[nH]1 587786069 GWMRWKAAGWTSHT-UHFFFAOYSA-N 255.277 2.648 0 1 CFAF Oc1nncc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 587153024 UWGKJEHITVGLAA-YUMQZZPRSA-N 288.257 2.608 0 1 CFAF Cc1ccc([C@@]2(C)NCCc3c2c(C(C)C)nn3C)nc1 962915727 BDSLYNXLJLEIIL-QGZVFWFLSA-N 284.407 2.656 0 1 CFAF CC(C)Cn1cnc2c(=O)oc3ccc(O)cc3c21 1857557007 IFYFUZRTALWZSP-UHFFFAOYSA-N 258.277 2.504 0 1 CFAF C[C@@H]1SC(c2ccccc2)=N[C@@H]1Cc1cnc[nH]1 1857647123 OFXSSUCHCSBXFS-GXFFZTMASA-N 257.362 2.903 0 1 CFAF CNCCN(C)Cc1ccc(-c2ccc(OC)cc2)o1 1772605399 BYSYMORJEBVJDW-UHFFFAOYSA-N 274.364 2.606 0 1 CFAF CC(=O)NCCCCc1cccc2c1SCCO2 13781780 XKXULLHNGPBJHC-UHFFFAOYSA-N 265.378 2.630 0 1 CFAF CCC[C@@H](/C=C/C(=O)OC(C)(C)C)NC(=O)C(F)(F)F 206037190 WFYOMTCQMRIQLB-FLOXNTQESA-N 295.301 2.732 0 3 CFAF NC(=O)c1sc2nccc(Oc3ccccc3)c2c1N 1857606176 NUUZPRIRYGGDHX-UHFFFAOYSA-N 285.328 2.770 0 1 CFAF O[C@H]1C[C@H]2[C@@H](c3ccccc3)Nc3ccccc3[C@H]2[C@H]1O 1857639211 CCZMPQIPXPIFID-DEORAPPZSA-N 281.355 2.679 0 1 CFAF 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CC[C@H](N)Cc1cc(OC)c(Br)cc1OC 13585280 QQPRORAZQWLMTQ-VIFPVBQESA-N 288.185 2.746 0 1 CFAF C[C@H](Oc1ccccc1-c1ccccn1)C1=NCCN1 13585552 WRRWKIRSGSSXLV-LBPRGKRZSA-N 267.332 2.518 0 1 CFAF Oc1nc2ccccc2c2cc(-c3ccccn3)nn12 13757050 YUDPHONPFGCUGC-UHFFFAOYSA-N 262.272 2.650 0 1 CFAF in-vivo CCc1noc2ccc(N=c3[nH][nH]c4ncccc34)cc12 1857578068 JNDYYKZWKURPCA-UHFFFAOYSA-N 279.303 2.827 0 1 CFAF C#Cc1ccc(C(=O)Nc2ccc([C@H]3CCNC3)cc2)cc1 117718296 YGLXTJSLKBZUKF-KRWDZBQOSA-N 290.366 2.997 0 1 CFAF O=c1oc2ccccc2n1-c1nc2ccccc2o1 484869 BIVWRABDRBWXLJ-UHFFFAOYSA-N 252.229 2.725 0 1 CFAF CCN1CCN2Cc3ccccc3-n3cccc3[C@H]2C1 58507695 USPIWAACHJFJKD-QGZVFWFLSA-N 267.376 2.670 0 1 CFAF CCCCNC1=C(c2cccc(Cl)c2)C(=O)OC1 66073978 XNWRDVDZJXZOKV-UHFFFAOYSA-N 265.740 2.998 0 1 CFAF CC(C)=CCC[C@]1(C)[C@@H]2C=C(C(=O)O)C[C@H](O)[C@H]21 2356625233 FDIVBBVUHYDHDS-UKTARXLSSA-N 250.338 2.761 0 1 CFAF CC(C)CC(=O)C[C@@](C)(O)[C@@H]1CC=C(C(=O)O)CC1 2356718465 XEODLVZRFHRTCH-IUODEOHRSA-N 268.353 2.554 0 1 CFAF CCn1cc(-c2ccc(O)cc2)c(=O)c2c(O)cc(O)cc21 40833757 RYJGJABSXBBEQV-UHFFFAOYSA-N 297.310 2.805 0 1 CFAF N[C@H]1CCc2cccc(-c3ccccc3)c2CC1=O 43195662 OCPQVXLDVBEGMQ-INIZCTEOSA-N 251.329 2.739 0 1 CFAF O=C(O)CC[C@@H](O)c1ccc(OCc2ccco2)cc1 40833792 MKRCUANBIIPMSD-CQSZACIVSA-N 276.288 2.757 0 1 CFAF CCCc1c(O)ccc2c1O[C@](C)([C@@H]1CCCN1)CC2=O 587487562 WFOPXVVLIYIWCZ-RDJZCZTQSA-N 289.375 2.821 0 1 CFAF COCOC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587522914 JBXKHGQDJVJUHL-GFCCVEGCSA-N 276.332 2.520 0 1 CFAF C[C@H]1CCO[C@H](c2nc3ccc(CCO)cc3[nH]2)C1 586916744 CZTVNUPZPZGRJD-HZMBPMFUSA-N 260.337 2.585 0 1 CFAF COc1cccc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c12 587148996 CDKSTVVNFGDLOG-ZDUSSCGKSA-N 289.285 2.898 0 1 CFAF COc1cc2nc(C3=COCC3)[nH]c2cc1Cl 586913195 ODDPAYASYLQFLD-UHFFFAOYSA-N 250.685 2.986 0 1 CFAF CC(C)(C)[C@H]1CCc2cc3c(O)nc(O)nc3nc2CC1 587562071 OYEJPWBNIPENDU-JTQLQIEISA-N 287.363 2.977 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](CCOCOC)CC2=O 587476469 CQNXQZHHYPHGOT-NSHDSACASA-N 294.347 2.689 0 1 CFAF COc1cc2nc(-c3cc(F)c(OC)c(F)c3)[nH]c2cn1 587134286 FEUJOWQOGRJFTB-UHFFFAOYSA-N 291.257 2.920 0 1 CFAF O=C(O)/C=C/C=C/c1nc2c(cnc3ccccc32)[nH]1 587967028 FZEUYGTVTIXCLU-FCXRPNKRSA-N 265.272 2.765 0 1 CFAF N[C@H](c1nc2cccc(O)c2[nH]1)c1ccc(F)cc1F 587149070 CPHGEQZMMGEABD-LBPRGKRZSA-N 275.258 2.595 0 1 CFAF CN1CCc2cnn(C)c2[C@]1(C)C(F)(F)c1ccccc1 963955603 QTCNECIESFFULN-OAHLLOKOSA-N 291.345 2.915 0 1 CFAF N=C(N)N1CCC(C=C2C3CC4CC(C3)CC2C4)CC1 1772640741 WKIFZWLFLOALTN-UHFFFAOYSA-N 273.424 2.974 0 1 CFAF CCO[C@@]12CC[C@@H]3C[C@@H]4CC[C@@](OCC)(O1)[C@H]4[C@H]32 5538388 SORQIKMJIKCAHH-FYYZZUKCSA-N 252.354 2.938 0 1 CFAF COC(=O)CCC[C@@H]1C(=S)N(C)c2ccccc21 13832587 ZPVGVRHNQYXYDD-NSHDSACASA-N 263.362 2.891 0 1 CFAF NCc1cccc2c(-c3cccc(C(N)=S)c3)c[nH]c12 1857575423 AROOVPVEYNAEBD-UHFFFAOYSA-N 281.384 2.928 0 1 CFAF COc1cc(C)c(C[C@@]2(CO)C(=O)CC[C@@H]2C)c(OC)c1 2356324361 QNUWWXUBTHSGPY-SJCJKPOMSA-N 292.375 2.532 0 1 CFAF Cc1nc2cnc(Oc3ccccc3)nc2n(C2CC2)c1=O 4238841 GWMROFDRWNHFFY-UHFFFAOYSA-N 294.314 2.622 0 1 CFAF C/C=C/C(=O)Oc1ccc2c3c(cccc13)C(=O)O2 103285740 OPHQRRYEVJSGFL-DUXPYHPUSA-N 254.241 2.854 0 1 CFAF CC(C)C[C@H](N)[P@](=O)(O)C(=O)Nc1ccccc1 28702396 UCLZFXIUMLGFDV-LLVKDONJSA-N 270.269 2.820 0 1 CFAF C[C@@H](C(=O)O)c1ccc(C[C@H]2CCC[C@@H]2O)cc1F 64447914 SNSNKHOGRIQHBJ-UDZFHETQSA-N 266.312 2.717 0 1 CFAF C[C@@H]1CC[C@@H]2[C@H](C=C[C@@H]3CO[C@](C)(O)C(=O)[C@@]32C)C1 2356629772 PRGXUBLCBUSLOT-PKJRCAFQSA-N 264.365 2.539 0 1 CFAF COCCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C 38681228 DZDGGJQZRLCVQI-JCURWCKSSA-N 275.392 2.563 0 1 CFAF CCC(C)(C)NC[C@@H](O)c1ccc(OC(=O)N(C)C)cc1 1911570357 AKYZVWXPRFBCBE-CQSZACIVSA-N 294.395 2.559 0 1 CFAF Cc1ccc(C2=NN[C@@]3(C2)C(=O)Nc2ccc(F)cc23)cc1 84633937 GSXNAWDOLGYTOC-QGZVFWFLSA-N 295.317 2.679 0 1 CFAF O=C(OC[C@@H]1CCCN2CCCC[C@@H]12)c1cccnc1 195487153 MSQYOYUITDERLP-GJZGRUSLSA-N 274.364 2.503 0 1 CFAF CC(=O)O[C@]1(C)CCC[C@]2(C)CC[C@@H](C(C)(C)O)[C@H](O)[C@H]21 238759471 YUMLFEDZZCOBGJ-AEKWLRTRSA-N 298.423 2.656 0 1 CFAF O=C(O)c1ccccc1Cc1nnc(O)c2ccccc12 473114389 NJXSQLMTGGBGPI-UHFFFAOYSA-N 280.283 2.624 0 1 CFAF Cc1ccc(C2=C(c3ccnc(F)c3)C(=O)OC2)cc1 299838012 PXVTYXSWOMYZJE-UHFFFAOYSA-N 269.275 2.997 0 1 CFAF CCOC(=O)/C(=C/N(C)C)c1cc2c3c(cccc3n1)CC2 587212090 BRMIDMHDGUJFBT-SDNWHVSQSA-N 296.370 2.799 0 1 CFAF c1ccc([C@@H]2C[C@H]2Cc2nc3cncnc3[nH]2)cc1 587959985 JOUUVKQLPGBNGG-RYUDHWBXSA-N 250.305 2.699 0 1 CFAF COc1nccc2nc(-c3cc(=N)[nH]c4ccccc34)[nH]c12 587254076 PVIQDJRDQXWQQY-UHFFFAOYSA-N 291.314 2.594 0 1 CFAF COc1ccc(C=O)c(-c2nc3ncc(C)cc3[nH]2)c1OC 587798864 WYUWWOZBCGPGAC-UHFFFAOYSA-N 297.314 2.763 0 1 CFAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(OC)C1 587476067 CKAGUXFKAFWQNO-UHFFFAOYSA-N 276.332 2.858 0 1 CFAF O=C(O)c1cccc(-c2cccc(-n3c(O)ccc3O)c2)n1 587937069 HMNFUXFTDVHVKS-UHFFFAOYSA-N 296.282 2.649 0 1 CFAF CNc1cc(Cl)ccc1-c1nc2cnncc2[nH]1 587066157 GLAXTRAIPKFTDX-UHFFFAOYSA-N 259.700 2.715 0 1 CFAF CN(C)c1ccc(-c2nc3cc(F)c(F)cc3[nH]2)nc1 587194192 AHWODFVETLSPFA-UHFFFAOYSA-N 274.274 2.969 0 1 CFAF COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)nc1 587393000 ANTAVIFHIWNWHF-KRWDZBQOSA-N 298.342 2.861 0 1 CFAF COCC1(COC)CC(=O)c2ccc3c(c2O1)CCCC3 587520826 GDDXSYQVJLPZPA-UHFFFAOYSA-N 290.359 2.562 0 1 CFAF CO[C@@]1(C)C[C@@]2(NCCc3ccc(O)cc32)C1(C)C 963329671 QOCDOFGFMVMTPO-HOTGVXAUSA-N 261.365 2.568 0 1 CFAF c1csc(-c2ccccc2NCC2=NCCN2)c1 13438343 WOEAXPAQYOXTOS-UHFFFAOYSA-N 257.362 2.829 0 1 CFAF O=Nc1c(O)[nH]c2cc(Cl)c(Cl)cc2c1=O 13757444 WCNOWXRSBULRSP-UHFFFAOYSA-N 259.048 2.938 0 1 CFAF O=C(O)C(F)(Oc1cccc(-c2ccccc2)c1)C(=O)O 13836407 GTPOZSFGPYTZLV-UHFFFAOYSA-N 290.246 2.567 0 1 CFAF COc1cccc(-c2coc3cc(O)cc(O)c3c2=O)c1 14811736 VOCQAKWBOKDJIA-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF CCOc1nc2cnccc2n(Cc2ccc(C)cc2)c1=O 15774273 IHWCLGBBEGRWKM-UHFFFAOYSA-N 295.342 2.547 0 1 CFAF CC1=C[C@@H]2OC(=O)[C@H](C)[C@H]2C[C@H](O)C(C)=CCC1 2356515252 IEWXWMUMAOWZMT-MQYQWHSLSA-N 250.338 2.602 0 1 CFAF O[C@](c1ccncc1)(c1ccc(Cl)cc1)c1cc[nH]n1 6849512 FWLWXCQBGAVNQZ-HNNXBMFYSA-N 285.734 2.742 0 1 CFAF Cc1cc(OC(=O)/C=C/c2ccccc2F)cc(=O)o1 103278566 BIUXVAGZUODUDJ-VOTSOKGWSA-N 274.247 2.706 0 1 CFAF O=C1[C@H]2CCCC[C@@H]2C(=O)N1Nc1ccccc1Cl 101505377 GCXXLGNMQQUHTE-UWVGGRQHSA-N 278.739 2.842 0 1 CFAF COc1ccc(Cl)c(NC(=O)[C@](C)(O)C(F)(F)F)c1 26377460 NDGPOWPTGXJLKB-JTQLQIEISA-N 297.660 2.600 0 1 CFAF O=C1O[C@H]([C@H](O)c2ccccc2)C(O)=C1c1ccccc1 103098798 PWQJRZHJZLRVSD-GDBMZVCRSA-N 282.295 2.615 0 1 CFAF Cc1ccccc1[C@H](c1c(C)noc1C)N1CCN(C)CC1 28251011 VJXUVINVZBVODX-GOSISDBHSA-N 299.418 2.937 0 1 CFAF COC(=O)C/C=C1\c2ccccc2C[C@@H](OC)[C@@H]1C 102814067 MTUFSMLKZVHUGN-UHZMKECTSA-N 260.333 2.840 0 1 CFAF c1ccc(-c2ncnc3c2ncn3C2CCOCC2)cc1 28770384 RCCUHVPXWXLXRM-UHFFFAOYSA-N 280.331 2.845 0 1 CFAF CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccc(C)cc1C 40865716 BCZUZJIUZQQTDT-RBUKOAKNSA-N 297.398 2.930 0 1 CFAF COc1ccc(CCc2cc(O)cc(O)c2)c(OC)c1 85648747 KHRNSVGIPGSFLY-UHFFFAOYSA-N 274.316 2.900 0 1 CFAF biogenic,in-vitro Cc1ccccc1-c1c(O)c2ccccc2n(O)c1=O 299823601 RHKHCCZDLJWEET-UHFFFAOYSA-N 267.284 2.920 0 1 CFAF OCc1ccc2nc(COc3ccc(F)cc3)[nH]c2c1 587168286 DYJNAMDWYAWFAM-UHFFFAOYSA-N 272.279 2.773 0 1 CFAF C[C@H]1CNCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527725 WDVDRXZIATZADT-SGTLLEGYSA-N 285.387 2.899 0 1 CFAF Fc1cnc2[nH]c(CCOCc3ccccc3)nc2c1 587566173 ZBCQTZSAJHLEIL-UHFFFAOYSA-N 271.295 2.856 0 1 CFAF Cc1ccnc2[nH]c(CCC(=O)c3ccc(N)cc3)nc12 587251366 FCEKCYBBHRRRFZ-UHFFFAOYSA-N 280.331 2.664 0 1 CFAF O[C@@H](c1nc2cc(Cl)cc(F)c2[nH]1)C1CCOCC1 586914058 SNJSXGKYFDNHCJ-GFCCVEGCSA-N 284.718 2.815 0 1 CFAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cncnc2[nH]1 587925979 DWZMTDACJAGLCR-NSHDSACASA-N 298.346 2.912 0 1 CFAF COC(=O)[C@H](F)c1nc2cccc3c2c(c1C)CC3 587210031 BGAARHJUDLMLRO-CYBMUJFWSA-N 259.280 2.825 0 1 CFAF COC[C@@]1(O)[C@@]2(C)[C@@H]3CCC[C@]2(C)[C@H](C3)[C@@]12CCC[C@@H]2O 2356357794 UUORLUZANDRGRZ-NYIQUJALSA-N 294.435 2.741 0 1 CFAF O=c1oc(COc2ccccc2)nc2ccccc12 103199005 RNHSRYWWLMTXNT-UHFFFAOYSA-N 253.257 2.767 0 1 CFAF C[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@@]2(CCN3C)CC1=O 100786283 GJEVWFOGJRBNKF-NEDOFYQNSA-N 285.387 2.505 0 1 CFAF CO[C@@H]1C=CCCC(C)=CCC(C)=CC(=O)O[C@@H](CO)C1 2356550231 QFQKOFIKPPGGPV-HZPDHXFCSA-N 294.391 2.928 0 1 CFAF COC(=O)c1sc2cc(-c3cccnc3)cnc2c1N 66262357 ZNBGYLAEBFSUED-UHFFFAOYSA-N 285.328 2.727 0 1 CFAF Cc1ccc(C)c(NC(=O)[C@@]2(C)CCN2C(=O)C(C)C)c1 61927007 UIFWKGHRGCSUDL-QGZVFWFLSA-N 288.391 2.889 0 3 CFAF COC(=O)c1cc(CCc2ccc(OC)cc2)sc1N 210612224 JKGNJURKKYVLKX-UHFFFAOYSA-N 291.372 2.911 0 1 CFAF CN(C)C(=O)c1sc(-c2ccc(Cl)cc2)nc1C=O 71317237 OBMCIGXQLBHKKF-UHFFFAOYSA-N 294.763 2.978 0 1 CFAF CC(C)CN1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)O 73165344 CODVNZWRCKMGAX-HNNXBMFYSA-N 272.348 2.635 0 1 CFAF COc1cc2c(cc1OC)-c1c(-c3cocn3)ncn1CC2 84619001 SVRMHFXMIQWERK-UHFFFAOYSA-N 297.314 2.778 0 1 CFAF O=C1O[C@@H](Cc2ccc(O)cc2)c2cccc(O)c21 238749117 IDEOLCKUILXURA-ZDUSSCGKSA-N 256.257 2.552 0 1 CFAF COc1cccc2cc(-c3nc4ncccc4[nH]3)c(=O)oc12 96906693 PAQGAXQQALYUAG-UHFFFAOYSA-N 293.282 2.740 0 1 CFAF O=c1nc(-c2ccc(Cl)cc2)[nH]c2cnccc12 474603499 CBMXNQVAODZGAC-UHFFFAOYSA-N 257.680 2.639 0 1 CFAF O=c1cc(CCc2ccccc2O)oc2cc(O)ccc12 474609752 UODFTADEADRVNG-UHFFFAOYSA-N 282.295 2.989 0 1 CFAF CC1=C(C(=O)OC(C)C)[C@H](c2cccs2)CC(=O)N1 653740633 IGVHNADHCSBLEY-JTQLQIEISA-N 279.361 2.577 0 1 CFAF FC(F)=C(C[C@@H]1CCCN1)c1nc2nc(Cl)c[nH]c-2n1 587088594 PPDGGQLHPGWODA-LURJTMIESA-N 299.712 2.708 0 1 CFAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cncnc2[nH]1 587925978 DWZMTDACJAGLCR-LLVKDONJSA-N 298.346 2.912 0 1 CFAF Cc1cc2c(O)nc(O)nc2nc1-c1ccc(F)cc1 587369846 QCHWGLIXOICEPK-UHFFFAOYSA-N 271.251 2.551 0 1 CFAF COc1cc(C)c(N)c(-c2nc3cc(C)cnc3[nH]2)c1 587250493 XFPOFDAAFQHBCP-UHFFFAOYSA-N 268.320 2.833 0 1 CFAF Cc1nc(C)c(Cc2nc3cccc(C(=O)O)c3[nH]2)s1 587011629 ISHJRKQYQHSQHK-UHFFFAOYSA-N 287.344 2.925 0 1 CFAF C/C(=C/c1nc2c[nH]c(=N)[nH]c-2n1)C1CCCCC1 587968134 PEHJQOBDLKXPTL-CLFYSBASSA-N 257.341 2.701 0 1 CFAF CCc1cc2c(O)nc(O)nc2nc1-c1ccc(OC)cc1 587559499 JLYMACHUQJQYJP-UHFFFAOYSA-N 297.314 2.674 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1nc(C)c(C)n1C)[C@@H](C2)C3=O 587429302 AWESVEPYQJGGFC-LRDDRELGSA-N 298.342 2.534 0 1 CFAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccn1 587394038 PUSPOLQXUKXKQB-CQSZACIVSA-N 284.315 2.687 0 1 CFAF FC(F)(F)CCc1ocnc1-c1nc2cnncc2[nH]1 587093277 ZKGDXEPWPCIMOC-UHFFFAOYSA-N 283.213 2.503 0 1 CFAF Cc1ncsc1CCc1nc2ccc(CCO)cc2[nH]1 587027720 HTXRJQHKFLCFSE-UHFFFAOYSA-N 287.388 2.648 0 1 CFAF Clc1cc2c3c(n1)C1(CC4(CSC4)C1)N(CC3)C2 963473792 TWURQCFGBIUIGK-UHFFFAOYSA-N 278.808 2.829 0 1 CFAF O=C1O[C@]2(CN3CCC2CC3)CN1c1cc2ccccc2o1 13642512 BWRNFHJHRXHEAD-QGZVFWFLSA-N 298.342 2.854 0 1 CFAF O=C(O)c1ccc(Cn2c(O)csc2=S)cc1 169690132 UWDBMFULIGXARI-UHFFFAOYSA-N 267.331 2.731 0 1 CFAF Cn1nccc1-c1cc(C(F)(F)F)cc2[nH]ncc12 204914826 VJZBRXPAQJXJPH-UHFFFAOYSA-N 266.226 2.982 0 1 CFAF COC(=O)[C@@]1(Cc2ccccc2)Cc2ccccc2C1=O 6003301 NJVFUUYNNGIIIU-SFHVURJKSA-N 280.323 2.828 0 1 CFAF CCOC(=O)c1[nH]cc(C(=O)O[C@@H]2C[C@H]3CC[C@@H]2C3)c1C 28817252 OADZOHBDSYHZTK-DMDPSCGWSA-N 291.347 2.845 0 1 CFAF Cc1nc(C(C)C)n2c(O)nnc(-c3ccccc3)c12 29462165 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273.376 2.698 0 3 CFAF C(=C/c1ccccc1)\COCc1nc2cncnc2[nH]1 587781606 XLWNILACDSEEJT-QPJJXVBHSA-N 266.304 2.583 0 1 CFAF O=C1C[C@@H](C2=COCCO2)Oc2c1ccc1c2CCCC1 587535415 JWYMGCKCHOGYBW-HNNXBMFYSA-N 286.327 2.787 0 1 CFAF Oc1nccc2nc(-c3ncccc3C(F)(F)F)[nH]c12 587109494 WFDLAMYUMDSUMT-UHFFFAOYSA-N 280.209 2.744 0 1 CFAF O=C([C@@H]1CCCO1)n1nc2cc1Oc1ccc(F)cc1-2 587875955 WGRIJRQLQDSJKN-LBPRGKRZSA-N 274.251 2.614 0 1 CFAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(F)cc(F)c2[nH]1 587960660 AADWHNIDBSQYIM-JGVFFNPUSA-N 264.275 2.999 0 1 CFAF COc1cc2[nH]c(-c3ccc(CO)cc3)nc2cc1F 586895381 GECXIFXAKMGOSN-UHFFFAOYSA-N 272.279 2.870 0 1 CFAF COc1ccc2nc(C[C@H]3CCc4occc4C3=O)[nH]c2n1 586906344 BUCWAXQYKXTQIX-SECBINFHSA-N 297.314 2.547 0 1 CFAF c1ccc2c(c1)CC[C@@]21C[C@@H]1c1nc2cncnc2[nH]1 586885387 BHVNQZSUZRVDSN-MLGOLLRUSA-N 262.316 2.724 0 1 CFAF CO[C@]1(C)C[C@]2(NCCc3ccc(O)cc32)C1(C)C 963329672 QOCDOFGFMVMTPO-HZPDHXFCSA-N 261.365 2.568 0 1 CFAF CCCC[C@]1(CCCC(=O)O)c2c(cnn2C)CCN1C 963955729 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CNZMWQSPPLYPPG-HOTGVXAUSA-N 274.364 2.571 0 1 CFAF Cc1ccnc2[nH]c(-c3cnc(-c4cnn(C)c4)s3)nc12 587020956 DOAYQPTYXOQMII-UHFFFAOYSA-N 296.359 2.790 0 1 CFAF N=c1ccc(Cc2nc3cccc(Cl)c3[nH]2)c[nH]1 587253640 MVCZKNLRLQTPTM-UHFFFAOYSA-N 258.712 2.615 0 1 CFAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C)C[C@@H]1C 587477411 RAFXVKZAMPIDMA-GTNSWQLSSA-N 289.375 2.630 0 1 CFAF COc1cncc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c12 586907067 JPTHFRJJZTWQJI-VIFPVBQESA-N 297.314 2.547 0 1 CFAF Oc1nc(O)c2ccc(-c3cc(Cl)ccc3F)nc2n1 587368462 QIFYCGPTUUIOTO-UHFFFAOYSA-N 291.669 2.896 0 1 CFAF Cc1cncc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c12 586884367 HOEKBJUMDRWQHF-WOPDTQHZSA-N 267.332 2.905 0 1 CFAF CC1(C)COc2c(-c3nc4ncc[nH]c-4n3)cccc21 586912520 VEEWUNGNXXVPEZ-UHFFFAOYSA-N 266.304 2.642 0 1 CFAF CCCC[C@@H](CCO)Nc1nc(N)nc2ccc(C)cc12 205017819 WJYCDLNUVCJYRJ-LBPRGKRZSA-N 288.395 2.874 0 1 CFAF CSc1cc(-c2cccs2)nc(NCCN(C)C)n1 5957902 ZXZKWFJQWQFZQT-UHFFFAOYSA-N 294.449 2.901 0 1 CFAF CCc1c(C)[nH]c(=O)c(N)c1[C@@H](O)c1cc(C)cc(C)c1 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66259561 RMAYMVOWWDYRGB-UHFFFAOYSA-N 269.348 2.965 0 1 CFAF COc1cc(Br)cc2cc(C)c(=O)oc12 34986015 PLJYWBJREDUJSE-UHFFFAOYSA-N 269.094 2.873 0 1 CFAF Clc1ccc(Nc2ccc([C@@H]3CNCCO3)cn2)nc1 149974791 SNFXXLLFZJBHJN-LBPRGKRZSA-N 290.754 2.535 0 1 CFAF O=C(C1CCCC1)N1C[C@H]2CCN(c3cccnc3)C[C@@H]2C1 299842363 NKEQVUAWFRUYAF-HZPDHXFCSA-N 299.418 2.557 0 1 CFAF Nc1cc2nc(/C=C\c3ccsc3)[nH]c2cc1N 587025396 JUCPJORPZMPOPN-UPHRSURJSA-N 256.334 2.959 0 1 CFAF Cc1ccc(-c2nc(-c3nc4c(N)ncnc4[nH]3)cs2)o1 587015884 DGFCMZPDXQIOSS-UHFFFAOYSA-N 298.331 2.627 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1CCSC1)O2 587415630 VZUNSOAAVXRVJI-NOZJJQNGSA-N 263.362 2.664 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1coc(C)n1)O2 587393809 MYCYVDSCBVJLMX-OAHLLOKOSA-N 272.304 2.754 0 1 CFAF CCOC(=O)[C@H](C)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587398987 HDDQZFXGQXPTBY-MGPLVRAMSA-N 291.347 2.500 0 1 CFAF CS(=O)(=O)/C=C\c1nc2cc(Cl)c(Cl)cc2[nH]1 586923826 XEKFGIIXBGZXLS-IHWYPQMZSA-N 291.159 2.885 0 1 CFAF Cc1cc2nc([C@@H](O)c3cccc(O)c3)[nH]c2cc1C 586888023 AWPGQXIDJKUJPG-HNNXBMFYSA-N 268.316 2.967 0 1 CFAF O=C(c1ccc(O)cc1O)c1c[nH]c2cccc(O)c12 1857540024 NFYXFAXOBZYMCM-UHFFFAOYSA-N 269.256 2.516 0 1 CFAF c1ccc(Nc2nccc(-c3cnc4cccnn34)n2)cc1 14945901 DLRPDZROQWJZEB-UHFFFAOYSA-N 288.314 2.930 0 1 CFAF CCn1nc(C)c2c(=O)c3cc(Cl)ccc3n(O)c21 14959945 QWMWQHFIZWDDBV-UHFFFAOYSA-N 277.711 2.570 0 1 CFAF COc1ccc2c(c1)OC[C@@H](Cc1ccccc1O)C2=O 1857636997 GMLOZPLXLFASJM-GFCCVEGCSA-N 284.311 2.835 0 1 CFAF O=C1Oc2ccccc2[C@]2(O)[C@H]3CCCCC[C@@H]3[C@H]12 4114277 CONVEVQNXBXAGL-FNNPODNZSA-N 258.317 2.620 0 1 CFAF CC1=C[C@@H]2OC(=O)[C@H](C)[C@@H]2CC[C@@H](C)C(=O)CC1 2356311520 XGVLEFRYWCUHGZ-NMKXLXIOSA-N 250.338 2.890 0 1 CFAF COc1cccc(-c2cncnc2NCCc2cnc[nH]2)c1 4239469 ITGVOESUZRFQRF-UHFFFAOYSA-N 295.346 2.530 0 1 CFAF CNC(=S)C1=CC(C)(C)Oc2ccc(OC(C)=O)cc21 29398340 WKLUZAMDAITMKF-UHFFFAOYSA-N 291.372 2.713 0 1 CFAF COc1cc(C[C@H](O)c2ccoc2)cc(OC)c1OC 26392209 QTOGKYSPYZXMGH-LBPRGKRZSA-N 278.304 2.582 0 1 CFAF CC(C)NC(=O)c1onc(-c2ccc(F)cc2)c1[C@@H](C)O 2356290227 MEHMQUMPPOXSKX-SECBINFHSA-N 292.310 2.672 0 1 CFAF Fc1ccccc1Cn1cnc2c(NC3CC3)ncnc21 25970758 UJINCPDSOZYIHC-UHFFFAOYSA-N 283.310 2.588 0 1 CFAF O=c1c(-c2ccsc2)cnc2c(-c3cccnc3)c[nH]n12 136124620 ZSBKAFUECALFTP-UHFFFAOYSA-N 294.339 2.813 0 1 CFAF CCOc1ccc(-c2cc(N[C@H](C)COC)ncn2)cc1 82160635 UPDFPJYENJZGQI-GFCCVEGCSA-N 287.363 2.989 0 1 CFAF Cc1cc(=O)[nH]c2c1cc(C)c1oc(CO)c(C)c12 49792622 RMPRKPVVCHNVCU-UHFFFAOYSA-N 257.289 2.692 0 1 CFAF C[C@@H]1C(=O)C[C@H]2[C@@H]3CC[C@H](C(=O)O)[C@]12CC3(C)C 40380262 UFLSHMKXGZOAQP-QSJCVTFJSA-N 250.338 2.739 0 1 CFAF O=C(NCc1ccccc1)c1ccc2cccnc2c1O 40576189 BMYUTWKKELIBCE-UHFFFAOYSA-N 278.311 2.870 0 1 CFAF COC[C@@]12CNCC[C@]1(c1ccc(F)c(Cl)c1)C2 96900897 SAIAWHLAJVOTCR-ZIAGYGMSSA-N 269.747 2.747 0 1 CFAF O=C1O/C(=C\c2nc3ccc(CO)cc3[nH]2)c2ccccc21 586907124 SKBNXMILRPESSZ-NVNXTCNLSA-N 292.294 2.724 0 1 CFAF COC[C@@]1(C2CCC2)CC(=O)c2cc(C)cc(N)c2O1 587399384 IOINWWGQFNMIOK-MRXNPFEDSA-N 275.348 2.728 0 1 CFAF N=c1[nH]ccc2nc(COC/C=C\c3ccccc3)[nH]c12 587781393 UUPXRIUQFOHCIM-DAXSKMNVSA-N 280.331 2.600 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](c1cc[nH]n1)CC2=O 587485610 PRCLWFLAMGNMLU-CQSZACIVSA-N 272.304 2.774 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc[nH]c1)O2 587396790 PHFGUYJXFJURIG-OAHLLOKOSA-N 256.305 2.786 0 1 CFAF CC(C)(C)[C@@H]1CCCc2cc3c(O)nc(O)nc3nc21 587562076 PBTXNLNEKLFWCR-SNVBAGLBSA-N 273.336 2.902 0 1 CFAF COc1cc2nc([C@H]3CCOC3)[nH]c2cc1Cl 586911298 GNCZVOSKFVDJQD-ZETCQYMHSA-N 252.701 2.729 0 1 CFAF Cc1sc2c(c1C)CCN[C@]2(C)C1=CNCCC1 963023074 LBOHNMCWNDFWTA-OAHLLOKOSA-N 262.422 2.993 0 1 CFAF N=c1[nH]cc(-c2c[nH]c3cc(Br)ccc23)[nH]1 1857536314 NYRXIOAGWHQLON-UHFFFAOYSA-N 277.125 2.733 0 1 CFAF CC[C@H]1NC(=O)C(O)=C1c1ccc(C(F)(F)F)cc1 1857767076 MEWUBBVLLZWOLW-SECBINFHSA-N 271.238 2.883 0 1 CFAF Cc1ccc(-c2nc(C(=O)n3cccn3)co2)cc1 1772657705 BGMFWNPIICEPMS-UHFFFAOYSA-N 253.261 2.535 0 1 CFAF C[C@]12C[C@H](O)[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O 13152274 IGSYRIQHXYIOHU-OIDVLUPKSA-N 286.371 2.788 0 1 CFAF C[C@@H](N)C(=O)OCC(C)(C)c1ccc(Cl)cc1 13777622 LGRDMLGTOXSFFH-SECBINFHSA-N 255.745 2.508 0 1 CFAF CC[C@@H](C)C(=O)[C@H](C)c1oc(=O)c(C)c(O)c1C 14594137 IJPRHCNTDLDONG-SFYZADRCSA-N 252.310 2.681 0 1 CFAF CC[C@]1(C)SC(NC2C(C)(C)C2(C)C)=NC1=O 14978732 WDCSIJCNNMQBAJ-ZDUSSCGKSA-N 254.399 2.809 0 1 CFAF NCc1cc(=O)c2cc(OCc3ccccc3)ccc2o1 1857612364 UPFDJTZWKLGIOO-UHFFFAOYSA-N 281.311 2.831 0 1 CFAF COc1cc(C[C@@H](C)N)c(OC)cc1CC(C)C 27748108 ZLESHKOTWSWEGW-LLVKDONJSA-N 251.370 2.792 0 1 CFAF O=C(O)C(=O)CC(=O)c1cccc(Cc2ccccc2)c1 28224774 HKIPZTAZTLJESD-UHFFFAOYSA-N 282.295 2.504 0 1 CFAF COC(=O)c1c(O)ccc2c1[C@H]1COc3ccccc3[C@H]1O2 6482615 HUEIDPMALRFMJO-QLJPJBMISA-N 298.294 2.789 0 1 CFAF CC(C)NC(=O)c1c(-c2ccccc2)noc1[C@@H](C)O 2356303585 YNHJXQUUFJJDOA-SNVBAGLBSA-N 274.320 2.533 0 1 CFAF Cc1nc2c(O)n(-c3ccccc3)c3ncccc3c-2n1 101486228 SBWRHDMTNQEJJX-UHFFFAOYSA-N 276.299 2.934 0 1 CFAF O=C(COc1ccc2[nH]c(=O)ccc2c1)Nc1ccccc1 28867823 IGSQCKZMQRQQHS-UHFFFAOYSA-N 294.310 2.546 0 1 CFAF Fc1ccc(-c2ccccc2N2CCNCC2)cc1 59688471 NGAGGIDLKHWCSB-UHFFFAOYSA-N 256.324 2.902 0 1 CFAF COc1ccc(-c2cccc(C(=O)CC(=O)C(=O)O)c2)cc1 28455975 NTSYJUZCHNZNPX-UHFFFAOYSA-N 298.294 2.589 0 1 CFAF COc1cc2c3c(c1OC)-c1ccccc1C(=O)[C@@H]3NCC2 2356498738 HCSTWHOCFCLOMD-MRXNPFEDSA-N 295.338 2.754 0 1 CFAF COc1ccc(C/N=c2\ssnc2Cl)cc1 66157074 XTWFUEVCJXGVCY-BENRWUELSA-N 272.782 2.968 0 1 CFAF CC(=O)O[C@@H]1C[C@H](C)[C@H]2[C@@H]1[C@@](C)(O)C[C@@H]1[C@H](C(C)C)[C@@H]12 2356689937 GHRGLJQMRODXCV-MGNYDLCGSA-N 280.408 2.863 0 1 CFAF Cc1cc(Nc2ccc(Cl)cc2)n2nc(O)nc2n1 73314880 KCQGFCPOBQJHHL-UHFFFAOYSA-N 275.699 2.535 0 1 CFAF CC(=O)c1c(O)c2c(c(C(C)=O)c1O)OC(C)(C)CC2 66080174 QTPDSKDFUIDNIL-UHFFFAOYSA-N 278.304 2.607 0 1 CFAF O=C(CCCCOc1ccccc1)N[C@H]1CC[C@H](O)CC1 1911577083 WTLOEKALPQSRQP-SHTZXODSSA-N 291.391 2.655 0 1 CFAF CC1=CC2=NC(=S)NC(=O)[C@H]2[C@@H](c2ccccc2)C1 45286121 ODEPXFGQOIVDAS-YPMHNXCESA-N 270.357 2.592 0 1 CFAF O=S(=O)(c1ccccc1Cl)n1ccc2ncccc21 43019347 SZQOWCOARHTJLI-UHFFFAOYSA-N 292.747 2.927 0 1 CFAF C[Si](C)(C)c1ccc(-c2ccc(C(=O)O)cn2)cc1 197176907 CXYVHTUYCXXSSV-UHFFFAOYSA-N 271.392 2.992 0 1 CFAF COC(=O)C[C@H](C)Cc1nc2cc(F)cc(F)c2[nH]1 587783899 BLLRACAMBLZDSB-SSDOTTSWSA-N 268.263 2.583 0 1 CFAF COc1cc2c3c(c1)O[C@H]([C@H]1OCCC1(C)C)[C@@H](C2)C3=O 587452594 FOHAANILTQTMPB-KNXALSJPSA-N 288.343 2.626 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C[C@H]1CCOC1)O2 587408000 GGXIQTYJDPZVPP-BZNIZROVSA-N 275.348 2.728 0 1 CFAF O=C1CCC[C@H](c2nc3ccc(C(=O)O)cc3[nH]2)CC1 586883572 CAUMLUJWMMAOPU-VIFPVBQESA-N 272.304 2.878 0 1 CFAF Nc1cc2nc(C3(c4ccccc4O)CC3)[nH]c2cc1N 586896600 FUXONPSHZMPEGB-UHFFFAOYSA-N 280.331 2.513 0 1 CFAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2c(N)ccnc2[nH]1 587196550 VMUVAHDUWQWPGR-JTQLQIEISA-N 281.363 2.758 0 1 CFAF Cc1ccc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2n1 587150047 JHEXPWUNDHBXFM-LBPRGKRZSA-N 274.274 2.593 0 1 CFAF Cc1cc2nc([C@@H]3CC(=O)OC3(C)C)[nH]c2cc1C 586906439 DEOYSEVWLBGJHU-JTQLQIEISA-N 258.321 2.989 0 1 CFAF Cc1ccnc2[nH]c(CCn3ccc(C(F)(F)F)n3)nc12 587118592 OVAQSFGSSIBTFR-UHFFFAOYSA-N 295.268 2.724 0 1 CFAF Oc1nncc2nc(Cc3ccccc3C(F)(F)F)[nH]c12 587106373 ANQRINBIFOAAFH-UHFFFAOYSA-N 294.236 2.668 0 1 CFAF COc1cncc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c12 587969985 WRJRPQCBUOXQAL-UVAGUKSRSA-N 297.358 2.613 0 1 CFAF Cc1cccc2c1C(=O)N1CCC(Br)=C1N2 957560892 FOZFKPCBKAWVNP-UHFFFAOYSA-N 279.137 2.830 0 1 CFAF Cc1ccnc2c1CCN[C@@]2(C)CCC(C)(C)C(=O)O 963068137 JXXCJBXKMYGBGC-INIZCTEOSA-N 276.380 2.642 0 1 CFAF COC(=O)c1cn(C/C=C(\C)CCC=C(C)C)nn1 1857774900 RPCNHOFRPNYGQT-XYOKQWHBSA-N 263.341 2.757 0 1 CFAF Cc1c(CC(N)=O)c2c(O)cccc2n1Cc1ccccc1 13445723 ZTYYSJCGMURZQJ-UHFFFAOYSA-N 294.354 2.731 0 1 CFAF C[C@@H](Oc1ccccc1-c1ccc(O)cc1)C1=NCCN1 13585586 LFMHROBTZOFVNB-GFCCVEGCSA-N 282.343 2.828 0 1 CFAF C[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccco3)oc2c1 168854675 ONMHFWXBCYQUHR-VIFPVBQESA-N 295.298 2.948 0 1 CFAF Cc1ccccc1Nc1c2c(nc3nncn13)CCC2 6742939 BVSHBNNWEAPIQT-UHFFFAOYSA-N 265.320 2.665 0 1 CFAF CNC1=Cc2ccccc2N(C(N)=O)c2ccccc21 103230862 MYVHERNIABGMAP-UHFFFAOYSA-N 265.316 2.934 0 1 CFAF COc1ccc(C2=NO[C@H](c3ccncc3)C2)c(OC)c1 103275827 MNHDIKULWQFZNP-HNNXBMFYSA-N 284.315 2.965 0 1 CFAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]4[C@H]2[C@](C)(O)CN34)cc1 100846493 QDNMERQLRWGGDY-OVYGPGRDSA-N 257.377 2.696 0 1 CFAF O=C1NCc2c1[nH]c1ccc(OCc3ccccc3)cc21 28820160 TWQGYMKFOGRXHZ-UHFFFAOYSA-N 278.311 2.990 0 1 CFAF C[C@]12CO[C@]3(C(=O)Nc4nccs4)C[C@H]1CC[C@@]23C 100489039 BTWJITAQMDZBHX-HYNSBDGHSA-N 278.377 2.677 0 1 CFAF CCC1=C2[C@@H]3C=C(C)C[C@@]2(NC1)c1ccc(O)nc1C3 29318008 LWKCOSFHDJDLBU-SJKOYZFVSA-N 268.360 2.815 0 1 CFAF CCCCN(CC)C(=O)[C@]1(c2ccccc2)C[C@H]1CN 29127619 XAFDYZFDMXIOPG-RDJZCZTQSA-N 274.408 2.552 0 1 CFAF CCCCCC[C@@H]([C@H](C)O)n1cnc(C(=O)OCC)c1N 28219148 CFAYCGHJRJDIKW-RYUDHWBXSA-N 297.399 2.534 0 1 CFAF CC(=O)N[C@@H](CC(=O)c1ccco1)c1ccccc1 72113397 YDHDJBRZQPSOFX-ZDUSSCGKSA-N 257.289 2.730 0 1 CFAF CCN(CC)[C@H](C)C(=O)Nc1nsc2ccccc12 40406175 PDKDLWOIDHJPCP-SNVBAGLBSA-N 277.393 2.965 0 1 CFAF CCN(CC)C1=NCCN=C(c2ccc(C)cc2)C1 40576306 GDSFLJNSXJAURX-UHFFFAOYSA-N 257.381 2.928 0 1 CFAF C[C@H](CCOC(=O)N(C)c1ccccc1)N(C)C 40935626 JFQBNMTYAMIENF-GFCCVEGCSA-N 250.342 2.600 0 1 CFAF NS(=O)(=O)c1ccc(SCCc2ccccc2)cc1 95590921 BIDLYFNXVUUEMA-UHFFFAOYSA-N 293.413 2.669 0 1 CFAF COC(=O)[C@]12CC[C@@H](C)[C@@]1(C)Cc1occc1C2=O 238759759 IRBVJXQACAWUON-DFKRKDTASA-N 262.305 2.614 0 1 CFAF O=c1ccc2nc(C(F)(F)F)nn(-c3ccccc3)c-2c1 653865273 AEDFKBPHAFWPTR-UHFFFAOYSA-N 291.232 2.751 0 1 CFAF COC(=O)C(F)(F)c1[nH]c2cccc(F)c2c1C 587633409 CQPFEFNWHXBOEN-UHFFFAOYSA-N 257.211 2.880 0 1 CFAF Cc1ccc(CCc2nc3cccc(O)c3[nH]2)cc1N 587250590 MKPYWLDWUKOVFY-UHFFFAOYSA-N 267.332 2.944 0 1 CFAF CSc1ccc2nc(Cc3ccc(=N)[nH]c3)[nH]c2c1 587254133 GTRZLQLIZFDWSQ-UHFFFAOYSA-N 270.361 2.683 0 1 CFAF CCCc1c(O)ccc2c1O[C@](CC)(CC(=O)O)CC2=O 587491000 TVSBQQLOWKGHJW-INIZCTEOSA-N 292.331 2.933 0 1 CFAF C[C@H](CCC(=O)O)Cc1nc2cc(Cl)cnc2[nH]1 587960644 LGSIXHWUWBFWML-SSDOTTSWSA-N 267.716 2.655 0 1 CFAF Cc1nc(C)c([C@]2(C)NCCc3nc4ccccn4c32)s1 962989468 QHFVCXZGWFTHQO-MRXNPFEDSA-N 298.415 2.817 0 1 CFAF CCn1cncc1-c1c[nH]c2ccc(C(=O)OC)cc12 1857596011 JBKOPAJOLXKSND-UHFFFAOYSA-N 269.304 2.838 0 1 CFAF Cc1cc(-c2ccccc2)cc(C)[n+]1-c1ncc[nH]1 13472112 LFKPBADCAYDDJX-UHFFFAOYSA-N 250.325 2.970 0 1 CFAF Cc1c(C(=O)OC(C)(C)C)c[nH]c1C(=O)OCC1CC1 13533493 RNYUEBGTTJOIMB-UHFFFAOYSA-N 279.336 2.845 0 1 CFAF CC(C)(C)NC(=O)[C@H]1Cc2c(sc3ccccc23)CN1 13833810 PRHOLQYOKNQWTF-GFCCVEGCSA-N 288.416 2.830 0 1 CFAF COC(=O)[C@H]1[C@@H](c2cccc(F)c2)C[C@H]2CC[C@@H]1N2C 169343379 KBWLRHKLMPNABK-KBXIAJHMSA-N 277.339 2.565 0 1 CFAF Cn1cccc1[C@@H]1C[C@H]2Cc3cc(F)ccc3N1O2 169551106 OJENLMDKYXOLSD-DOMZBBRYSA-N 258.296 2.972 0 1 CFAF N=c1cc(-c2ccc3ccn(Cc4ccccn4)c3c2)[nH][nH]1 1857611686 QCOOOKJAGFXTOZ-UHFFFAOYSA-N 289.342 2.887 0 1 CFAF COc1ccc2ccc3c(c2c1)[C@H](CNC(N)=S)CC3 1857768974 HWMXBPNNULQCOI-LBPRGKRZSA-N 286.400 2.711 0 1 CFAF Fc1ccc2nc(-c3ccnnc3)n(C3CC3)c2c1 1250831079 UEYHDTZWMYAJCW-UHFFFAOYSA-N 254.268 2.967 0 1 CFAF COC(=O)[C@@]1(Cc2ccccc2)Cc2ccccc2[C@@H]1O 1646175 OAABOBLLGUGNRU-WMZOPIPTSA-N 282.339 2.678 0 1 CFAF COc1ccc2c(c1)C(=O)[C@H](CN1CCCCC1)CC2 2000027 WOQNPZDMMKKFPR-AWEZNQCLSA-N 273.376 2.926 0 1 CFAF Oc1nc(-c2ccncc2)nc2c(C3CCCC3)[nH]nc12 27648991 VTHOMICNUZUSOY-UHFFFAOYSA-N 281.319 2.778 0 1 CFAF CNc1c(C(=O)OC)c(C)nc2c1c1ccccc1n2C 29561295 QHPYGVSSHORSBD-UHFFFAOYSA-N 283.331 2.863 0 1 CFAF C[C@@H](CC1CCCCC1)OC(=O)[C@@H](C)N(C)C#N 28469570 NITPHAADQHSKKD-NWDGAFQWSA-N 252.358 2.690 0 1 CFAF COc1ccc2ccc(C(=N)N)cc2c1[C@@H]1CCOC1 26829207 ADSBUUURIYITQD-GFCCVEGCSA-N 270.332 2.636 0 1 CFAF NC1=N[C@@H](CCOc2ccc(Cc3ccccc3)cc2)CO1 117261718 PNAXAUPCAUQVLF-INIZCTEOSA-N 296.370 2.760 0 1 CFAF NCc1ccccc1C1(O)CCN(Cc2ccccc2)CC1 28817188 RPBRGKBDJGSAFB-UHFFFAOYSA-N 296.414 2.629 0 1 CFAF in-vivo CC1=C2C[C@H]3[C@](C)(O)CCC[C@]3(C)C[C@@H]2OC1=O 216169805 MRZXHHLSYHIZNO-CTHBEMJXSA-N 250.338 2.580 0 1 CFAF Cc1ccc(-n2nc3cc(C)oc(=O)c3c2C)cc1 73258732 RSISXOGVDYGNHQ-UHFFFAOYSA-N 254.289 2.904 0 1 CFAF CCCCN1CC[C@]2(C1)O[C@@H](OC)Cc1ccccc12 84730026 WXYGKEYRLBEHNW-IAGOWNOFSA-N 275.392 2.933 0 1 CFAF O=C(Nc1ncco1)NC1C2CC3CC(C2)CC1C3 96271167 HDLORCWTSSWFJF-UHFFFAOYSA-N 261.325 2.621 0 1 CFAF CCO/C=C(\C)[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587400227 PEVTWNLRRDQZBA-PLWJUESGSA-N 261.321 2.851 0 1 CFAF C[C@@H](Cc1nc2cccc(Br)c2[nH]1)N(C)C 587191623 NQRLFNVHTMKUCO-QMMMGPOBSA-N 282.185 2.818 0 1 CFAF O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)ccc1O 587946294 VPACEXLGKHBPSW-SNVBAGLBSA-N 284.218 2.522 0 1 CFAF COc1cc2c3c(c1)O[C@]1(CCCC[C@@H]1OC)[C@@H](C2)C3=O 587441360 GIJQMZVFQXNQGD-RVSPLBMKSA-N 288.343 2.770 0 1 CFAF C[C@H]1C(=O)CC[C@H]1Cc1nc2ccc(F)c(F)c2[nH]1 587962513 JZZAGCHHYHEKFZ-SFYZADRCSA-N 264.275 2.999 0 1 CFAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cnncc2[nH]1 587194745 AOCGPINRVYYMGQ-SNVBAGLBSA-N 267.336 2.571 0 1 CFAF CCNC(=O)n1nc(-c2cccc(F)c2)cc1OCC 587871181 CKECMWQHIPHSGS-UHFFFAOYSA-N 277.299 2.666 0 1 CFAF COC(=O)C[C@H](C)Cc1nc2c(C)cnc(Cl)c2[nH]1 587783608 WQOSYCXRAYFILS-SSDOTTSWSA-N 281.743 2.661 0 1 CFAF Oc1nc(O)c2ccc(-c3coc4ccccc34)nc2n1 587561824 WLOXQXXINKOOPO-UHFFFAOYSA-N 279.255 2.849 0 1 CFAF N[C@@H](c1nc2cc(Cl)c(F)c(F)c2[nH]1)C1CC1 587256018 WYQXUPJWDFNXRB-SECBINFHSA-N 257.671 2.904 0 1 CFAF CCCC(=O)Oc1ccc2[nH]cc(CCN(C)C)c2c1 169315425 APHDUILOHLMJGM-UHFFFAOYSA-N 274.364 2.978 0 1 CFAF O=C(NCc1ccccc1)c1cc(Cl)c(O)cc1O 1857766200 QASRKFNNLZSOOL-UHFFFAOYSA-N 277.707 2.681 0 1 CFAF COc1cc2c(cc1O)[C@H]1COc3cc(O)ccc3[C@H]1O2 14820550 FPPWIEZFMZZUPL-BDJLRTHQSA-N 286.283 2.716 0 1 CFAF endogenous,in-man COc1ccc2nc(-c3ccccc3)c(=O)[nH]c2c1 17256789 MEZKKDLCWHEHDC-UHFFFAOYSA-N 252.273 2.599 0 1 CFAF CC[C@H](O)CNC(=O)/C=C/c1cccc(C(F)(F)F)c1 2009140 WUZSPEXDOAPEGT-SYTKJHMZSA-N 287.281 2.606 0 1 CFAF Cc1nc2c(C)cccn2c(=O)c1NC(=O)c1cccs1 8803635 CGGJKFKXOHNDJU-UHFFFAOYSA-N 299.355 2.625 0 3 CFAF O=C1C[C@H]2CCC[C@](S(=O)(=O)c3ccccc3)(C1)C2 100800350 CKCDTTSVFVFNKN-IUODEOHRSA-N 278.373 2.752 0 1 CFAF c1ccc(N2c3ccccc3C[C@@H]2C2=NCCN2)cc1 28016699 KJJIMWHJDMEMPM-MRXNPFEDSA-N 263.344 2.751 0 1 CFAF O=C(NN1CCCCC1)Oc1ccc(Cl)cc1 29414803 XSMSBOQKEHISJT-UHFFFAOYSA-N 254.717 2.829 0 1 CFAF CN(c1ncnc2c1ncn2Cc1ccccc1F)C1CC1 25968686 XERNMXSOTDVXIC-UHFFFAOYSA-N 297.337 2.612 0 1 CFAF CC[C@@H]1NCCN2C(=O)c3c(cccc3C(F)(F)F)[C@H]12 28604486 IAQXADIYISFYCJ-CMPLNLGQSA-N 284.281 2.584 0 1 CFAF COc1cc2c(cc1C=CC(=O)O)C=CC(C)(C)O2 2356598251 KFKMQYCHFDVMKG-UHFFFAOYSA-N 260.289 2.977 0 1 CFAF CC1=CCC(=O)[C@H](C)CC[C@H]2[C@H](C)C(=O)O[C@@H]2C1 2356625540 PQRMUWWEXAQGMS-OWTLIXCDSA-N 250.338 2.890 0 1 CFAF COc1cc([C@@H]2O[C@@]3(C)O[C@@]4(C)C[C@H]3[C@H]2CO4)ccc1O 2356802956 WPHOQMWSFQDPPY-DKDKVSGOSA-N 292.331 2.587 0 1 CFAF CC[C@@H](C)C(=O)C(=O)NCCc1c[nH]c2cc(F)ccc12 28766405 UOTAYQKJPDZBFO-SNVBAGLBSA-N 290.338 2.581 0 1 CFAF Cn1cc(-c2ccc3ncc(-c4cccs4)n3n2)cn1 223803087 NLDBRPSBWKLECG-UHFFFAOYSA-N 281.344 2.858 0 1 CFAF Cc1ccc(-n2c(S)nnc2-c2csc(N)n2)cc1 96282316 FWVYOIGVPSHPBB-UHFFFAOYSA-N 289.389 2.570 0 1 CFAF COc1ccccc1/C=C/C[C@]1(O)CCC(=O)C[C@@H]1OC 238783371 DIAHBGYCNSEZBL-DGDBIBOCSA-N 290.359 2.598 0 1 CFAF COc1cc2nc(=S)n(C)c(O)c2cc1-c1cnco1 253636927 DHTTZZLFVWIDDN-UHFFFAOYSA-N 289.316 2.672 0 1 CFAF Cc1ccc(F)c(-c2ccc3c(O)nc(O)nc3n2)c1 587367958 DBJJJARPOKEFJO-UHFFFAOYSA-N 271.251 2.551 0 1 CFAF CCCc1c(O)ccc2c1O[C@]1(CCCN(C)C1)CC2=O 587477500 YGFCLNRYCOHQJX-QGZVFWFLSA-N 289.375 2.774 0 1 CFAF CCOc1cc(-c2cccc(F)c2)nn1Cc1cccnn1 587872540 ZWHLTYMXTDDFTM-UHFFFAOYSA-N 298.321 2.926 0 1 CFAF COc1nccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c12 586902328 KLGWLYUNJYTYHR-YPMHNXCESA-N 281.315 2.536 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3nccn13)O2 587393494 HXOHFISXKHTNEU-HNNXBMFYSA-N 293.326 2.931 0 1 CFAF Nc1ccc(F)c(Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1 587140883 HXDVTQRBLVBZQF-HNNXBMFYSA-N 299.309 2.599 0 1 CFAF Nc1ccc(F)c(Cc2nc3cccc(O)c3[nH]2)c1 587141270 PGBNEGVUDNIHFB-UHFFFAOYSA-N 257.268 2.581 0 1 CFAF O=C(O)c1ccc2c(c1)NC1=CCCCCCN1C2=O 957743276 SRXPOTMMYLXURJ-UHFFFAOYSA-N 272.304 2.668 0 1 CFAF CC[C@H]1CC[C@H](n2c(O)nc3ccc(N)cc3c2=O)CC1 1857609386 FWALOTNMHVJBSB-UMSPYCQHSA-N 287.363 2.826 0 1 CFAF c1ccc([C@@]23OC[C@@H](Cn4c2nc2ccccc24)O3)cc1 1862 LCXASZQUGJCXBG-DYVFJYSZSA-N 278.311 2.666 0 1 CFAF in-man c1ccc(N2CCN([C@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 100422786 MVECBLIDFXQFDF-INMHGKMJSA-N 256.393 2.997 0 1 CFAF CCc1ccc([C@@H]2C[C@@H]3CC[C@H](N3)[C@@H]2C(=O)OC)cc1 100779647 VQVUZWDWIQWSQU-YHUYYLMFSA-N 273.376 2.646 0 1 CFAF Cn1c2c(c3ccccc31)C(=O)[C@H](CNc1ncc[nH]1)CC2 27736513 YEZCYJKJRTTXHY-NSHDSACASA-N 294.358 2.759 0 1 CFAF Nc1nc2nc(SCc3ccccc3)nc(N)c2s1 28568766 FDNXRODGTKLOEH-UHFFFAOYSA-N 289.389 2.543 0 1 CFAF CC=C(C[C@](O)(CC)CCCC)[C@@H](O)CC(=O)OCC 2356538816 RKEPFFPHCGFVOF-HOCLYGCPSA-N 286.412 2.968 0 1 CFAF C[C@H]1C(=O)OCc2c(O)cc3c(c21)CCC(C)(C)O3 2356643302 OHHXIVFDCOMBOF-MRVPVSSYSA-N 262.305 2.656 0 1 CFAF N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2cc(O)ccc12 118573538 IYYNOCSHBIFSSF-UHFFFAOYSA-N 294.266 2.612 0 1 CFAF O=C1NC(=O)[C@@H](Cc2ccc(OCC3CCC3)cc2)S1 26567921 ZYEZPBNIRKMUEA-CYBMUJFWSA-N 291.372 2.760 0 1 CFAF C[C@@]12CCC[C@@](C)(O)[C@@H]1Cc1c(O)ccc(O)c1C2 29042006 SIHKZQDGUPOURP-OWCLPIDISA-N 262.349 2.754 0 1 CFAF COc1c2c(c(C)c3c(C)coc13)[C@H](CO)[C@H](O)C=C2 1911575383 XIIXIHVDIWZFMK-VXGBXAGGSA-N 274.316 2.522 0 1 CFAF CCC[C@H]1N[C@H](C(=O)OC)Cc2c1[nH]c1ccccc21 135902473 OTLPIVLPOZNBIP-KGLIPLIRSA-N 272.348 2.696 0 1 CFAF CCOC(=O)c1cc2cc(-c3cncn3C)ccc2[nH]1 82158424 FOLNSFQIWULSJC-UHFFFAOYSA-N 269.304 2.745 0 1 CFAF in-vitro COc1ccc(N(C)c2nc(CO)nc3ccccc23)cc1 40950569 MPNMBCIEBIXDIT-UHFFFAOYSA-N 295.342 2.899 0 1 CFAF Oc1nc(O)c2c(-c3ccc4c(c3)CCCC4)ccnc2n1 299838856 OJSVFKRUPDQTPZ-UHFFFAOYSA-N 293.326 2.982 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1OCCC1(C)C)O2 587412800 PBXGRXDIKWQNGT-DZGCQCFKSA-N 275.348 2.726 0 1 CFAF CC[C@@H]1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O 587406194 QRTNRNBEWPJOIS-QLJPJBMISA-N 273.332 2.670 0 1 CFAF CCOC(=O)c1ccc2[nH]c(-c3ccc(CO)cc3)nc2c1 586895610 PNTFHLPQEYFLQK-UHFFFAOYSA-N 296.326 2.899 0 1 CFAF Fc1cnc2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2c1 587118454 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1857557705 YJDRZMWDCQFTOS-MWLCHTKSSA-N 264.321 2.700 0 1 CFAF Nc1cccc(Nc2nccc(-c3ccccn3)n2)c1 26645804 LRLLBOSQNXBUEJ-UHFFFAOYSA-N 263.304 2.864 0 1 CFAF CC(C)N(CCCCN)C(=O)c1c[nH]c2ccccc12 28825880 TZAKCUYIXLIAGA-UHFFFAOYSA-N 273.380 2.757 0 1 CFAF Cc1ccc(Nc2cnccc2NS(C)(=O)=O)cc1C 103266648 OQSNXVJQCQCAGM-UHFFFAOYSA-N 291.376 2.814 0 1 CFAF CC(C)OC(=O)/C=C\c1nnc(-c2cccc(F)c2)[nH]1 115892775 IACZPIXBMXRWEL-SREVYHEPSA-N 275.283 2.576 0 1 CFAF CCCCC=CC=CC=C[C@@H]1CC[C@H](O)[C@H](CO)N1C 2356593766 WARMWDVKZKPUTH-IKGGRYGDSA-N 279.424 2.661 0 1 CFAF COC(=O)C[C@H](CCCCCCC[C@H](C)O)OC(C)=O 2356615817 MSACOKMSHHWWRF-JSGCOSHPSA-N 288.384 2.593 0 1 CFAF C[C@@H](c1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O 28711741 RWIZCLOKALYHLB-HVQZGBDUSA-N 281.355 2.945 0 1 CFAF [O-][n+]1ccccc1SCc1nc2c(F)cccc2[nH]1 76762495 INHUPAQHAKZWLB-UHFFFAOYSA-N 275.308 2.628 0 1 CFAF COc1ccccc1Oc1nc2ccsc2c2nnnn12 84689644 VNALQYQKBWENGU-UHFFFAOYSA-N 299.315 2.535 0 1 CFAF CCC(=O)Nc1cc(C(=O)Nc2ccccn2)ccc1OC 84705706 NFQWZOWEHIJFSB-UHFFFAOYSA-N 299.330 2.691 0 1 CFAF CC(=O)O[C@@H]1CCC(C)(C)[C@@H]2CC=C3CO[C@H](O)[C@@H]3[C@]21C 238751341 UCGWXCHOMWPIBD-SOXILONMSA-N 294.391 2.656 0 1 CFAF COc1cccc(-c2cc(=O)[nH]c3cc4c(cc23)OCO4)c1 96915485 IIGAEGOCLNZDSF-UHFFFAOYSA-N 295.294 2.932 0 1 CFAF Cc1nc(O)c2nc(Nc3ccccc3)sc2n1 299860983 KFENOHKHYZVPCN-UHFFFAOYSA-N 258.306 2.844 0 1 CFAF CNc1ccccc1Cc1nnc(O)c2ccccc12 473114658 OHJUJFDDLFYMSK-UHFFFAOYSA-N 265.316 2.968 0 1 CFAF C[C@@H](Cc1ccc([Si](C)(C)C)cc1)CN1CCOCC1 653767617 HWEWNCNOTFQPRK-HNNXBMFYSA-N 291.511 2.743 0 1 CFAF Fc1ccc2c(c1)-c1cc(n(-c3ccncn3)n1)O2 587875571 RCAYVLLSVRQHQL-UHFFFAOYSA-N 254.224 2.574 0 1 CFAF Cc1cncc2nc(CCOc3ccc(C=O)cc3)[nH]c12 587566339 HVTNMHJSDNZPAO-UHFFFAOYSA-N 281.315 2.700 0 1 CFAF NC1CCC(c2nc3ccc(Cl)nc3[nH]2)CC1 587256386 HLFIABHHJBPHQF-UHFFFAOYSA-N 250.733 2.596 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](C1(C)COC1)CC2=O 587493119 RZLPPTZOSNJQLC-CQSZACIVSA-N 276.332 2.715 0 1 CFAF C[C@H](SCc1ccccc1)c1nc2c(N)ncnc2[nH]1 586961748 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SEBBCXCYEUCLQV-LBPRGKRZSA-N 298.294 2.865 0 1 CFAF COc1cc(CCc2cccc(O)c2)cc(OC)c1O 14505350 HJFGFCYQHBUEMB-UHFFFAOYSA-N 274.316 2.900 0 1 CFAF CC(=O)[C@H]1[C@@H](c2ccc(C)cc2)c2c(C)n[nH]c2C[C@@]1(C)O 17206035 PBWCMHJLIJHSOE-OKZBNKHCSA-N 298.386 2.671 0 1 CFAF O=c1[nH]nc(Cc2ccc(F)c(Cl)c2)c2ncccc12 167015282 IDSALYFXMODCLK-UHFFFAOYSA-N 289.697 2.701 0 1 CFAF CCCOC(=O)/C=C/c1coc2ccccc2c1=O 28821035 CBXXXLJWWRIKAK-BQYQJAHWSA-N 258.273 2.759 0 1 CFAF CO[C@H](C=C[C@H](C)C1CCC(C)(NC=O)CC1)C(C)(C)O 2356802172 RXOQPKMUWPJMLI-UJEKJILKSA-N 297.439 2.660 0 1 CFAF Oc1ccc(-c2ccc([C@@H](O)n3ccnc3)cc2)cc1 62224904 ZYNBWUOKYVUBFF-MRXNPFEDSA-N 266.300 2.795 0 1 CFAF Nc1nc(COC(=O)c2ccc(Cl)cc2)cs1 73198939 GNSIUUMVIQRUMU-UHFFFAOYSA-N 268.725 2.736 0 1 CFAF CCOc1cnn(-c2cccc(C)c2)c(=O)c1Cl 45349108 YMHQPVCIINSBRM-UHFFFAOYSA-N 264.712 2.593 0 1 CFAF C[C@H]1C[C@@H]2Cc3[nH]c(=O)ccc3[C@]3(C1)[C@H]2CCCN3C 238734185 SIQKNJDHWYZFFT-LKQDWFRTSA-N 272.392 2.514 0 1 CFAF C[C@@H](SCc1ccccc1)c1nc2c[nH]c(=N)[nH]c-2n1 586962630 TUOLJWDMPBQNCM-SECBINFHSA-N 285.376 2.711 0 1 CFAF C[C@H](O)c1ncc(-c2nc3cc(Cl)ncc3[nH]2)s1 587022593 RJNYHVQWEVYJAC-YFKPBYRVSA-N 280.740 2.788 0 1 CFAF Nc1cc(C(=O)O)cc(-c2nc3cncc(Cl)c3[nH]2)c1 587248653 AHLBIJWZZVGBGV-UHFFFAOYSA-N 288.694 2.559 0 1 CFAF CCOC(=O)[C@H]1[C@H]2c3nc4cccc5c4c(c3C[C@H]21)CC5 587215047 ZMYSBQAIDOROSE-UHOFOFEASA-N 279.339 2.782 0 1 CFAF COc1cccc(O)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587399126 IQNIXKJHGXTLQV-OAHLLOKOSA-N 299.326 2.998 0 1 CFAF C[C@@H](O)Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586889081 DYJXJXWOWAZSFZ-RXMQYKEDSA-N 295.211 2.535 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1ccncc1)O2 587394139 CXAROXMATZRBLA-ZDUSSCGKSA-N 282.343 2.939 0 1 CFAF O=C1CCC[C@@H]2C[C@@H](N3CCCCC3)C[C@@H]3CCN1[C@@H]32 13813516 SXFMUDRGNYBVAO-JYYAWHABSA-N 276.424 2.652 0 3 CFAF CCN1C(=O)N[C@@H](CCc2ccccc2)[C@H](C(C)=O)[C@H]1C 13816581 ZGEBMMSVPHZVMT-KCXAZCMYSA-N 288.391 2.627 0 3 CFAF CC1(C)C[C@H]2[C@@H](O)c3cocc3C[C@@](C)(O)[C@@H]2C1 15168752 CJMRDWKLOVHYSM-BPGGGUHBSA-N 250.338 2.673 0 1 CFAF COC(=O)c1cccc(-c2cc(F)c(O)c(C=O)c2)c1 169699660 SSEIZYMCERAJHD-UHFFFAOYSA-N 274.247 2.797 0 1 CFAF CCCCC1CCC(c2nn(CC(=O)O)c(=N)s2)CC1 4134375 XABBFLAZZZDGSR-UHFFFAOYSA-N 297.424 2.973 0 1 CFAF CC1(C)O[C@@]2(C3CCCC3)CC[C@H]1[C@@](N)(CCO)C2 2356615971 OESCHGIKLKFRTF-BMFZPTHFSA-N 267.413 2.604 0 1 CFAF O[C@H]1c2cc(Br)ccc2N=C2CCCCN21 64732103 ZUXUVUOTURPEFM-LBPRGKRZSA-N 281.153 2.970 0 1 CFAF O=C(c1ccccc1)n1sc2ccccc2c1=O 32299870 WHAFQSPDQFNSPQ-UHFFFAOYSA-N 255.298 2.752 0 1 CFAF CN[C@@H](Cc1ccc2c(c1)OCO2)c1ccccc1 139088621 DNOTUUOUOFJQJC-AWEZNQCLSA-N 255.317 2.919 0 1 CFAF Cc1ccc([C@](O)(Cn2cncn2)C[Si](C)(C)C)cc1 195954995 SRDNEQUFAHHKDU-HNNXBMFYSA-N 289.455 2.813 0 1 CFAF C[C@H](O)C[C@H]1CC=C[C@H](C[C@H](O)c2ccccc2)N1C 238775450 CZHJFVUTFXWPCR-SVGFKBNWSA-N 275.392 2.510 0 1 CFAF CS(=O)(=O)/C=C\c1nc2cc(Cl)c(F)c(F)c2[nH]1 586927628 UVFVHGODFZDCLT-IHWYPQMZSA-N 292.694 2.510 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)on1)O2 587395909 VXVLFTBYESLPJQ-ZDUSSCGKSA-N 258.277 2.580 0 1 CFAF COc1cc2c3c(c1)O[C@@H](CCCSC)[C@@H](C2)C3=O 587451623 KMIZUJTXWIOHBI-NEPJUHHUSA-N 278.373 2.954 0 1 CFAF CCC(=O)Nc1cccc(-c2nc[nH]c3nccc2-3)c1 584905395 KBXLCIHWXYBYSJ-UHFFFAOYSA-N 266.304 2.925 0 1 CFAF in-vitro Oc1nc(O)c2ccc(-c3cc4cc(F)ccc4o3)nc2n1 587369753 OJYLDGSXBPWSRR-UHFFFAOYSA-N 297.245 2.988 0 1 CFAF CC[C@@H](C(=O)OC)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400697 SDWPCGLQTJKNNW-MEDUHNTESA-N 291.347 2.500 0 1 CFAF OCCc1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1 587967022 KEVABDICQKRYBN-YNEHKIRRSA-N 254.333 2.777 0 1 CFAF Cc1c(F)ccc2c1[C@@](C)(c1cccnc1N)NCC2 962090103 IWBFGRPBVNJDBJ-MRXNPFEDSA-N 271.339 2.521 0 1 CFAF O=C(O)/C=C/[C@H](O)c1ccc(Cc2ccccc2)cc1 1772635015 IZRLQSAFDSYSJE-OFAQMXQXSA-N 268.312 2.952 0 1 CFAF CCCC1CCN(C(=O)[C@](C)(OC)C(F)(F)F)CC1 13804151 YUGHLBDJZQKRMG-LBPRGKRZSA-N 281.318 2.993 0 1 CFAF C[C@H](OC[n+]1ccn(C)c1CN=O)C1CCCCC1 169713000 INKUYYAFGSWOCM-LBPRGKRZSA-N 266.365 2.522 0 1 CFAF C(=C/c1n[nH]c2ccc(-c3nn[nH]n3)cc12)\c1ccccc1 164801613 QKDCQFORBNHDDY-SOFGYWHQSA-N 288.314 2.913 0 1 CFAF CC(=O)CC[C@@H]1OC(=O)[C@@H]2[C@@H](C(C)C)CC[C@@]12C 2356385169 UKWYLUIBBUASGL-OSFYFWSMSA-N 252.354 2.970 0 1 CFAF COc1cc(OC)cc(-c2cc3[nH]ccnc-3n2)c1 100827425 KVKNGELEWHXDPA-UHFFFAOYSA-N 255.277 2.594 0 1 CFAF OCCN1[C@@H]2Cc3ccccc3[C@@H]1c1ccccc12 100649133 ZICXADCUXFAAOU-IAGOWNOFSA-N 251.329 2.681 0 1 CFAF C[C@]12CC[C@@H]3c4ccc(=O)c(N)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 29546367 ZPRUEJRUEIGLKM-GVYRHCHYSA-N 299.414 2.846 0 1 CFAF CN1CC[C@@](C)(C(=O)Nc2cccc3c2CCCC3)C1 61906216 IACCRWBRCOAHQK-QGZVFWFLSA-N 272.392 2.846 0 3 CFAF C[C@H]1CC[C@@H]2C(C)(C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32O4 195249836 DETKYIOHRCKRIT-MJNTUHOMSA-N 280.364 2.853 0 1 CFAF O=C(O)Cc1ccccc1-c1ccn(C(F)F)c(=O)c1 45365280 XKRBPLZNUMPEOG-UHFFFAOYSA-N 279.242 2.538 0 1 CFAF O=C1OCC(c2ccccc2F)=C1c1ccc(CO)cc1 299836766 NUGRRHOOKSYTNQ-UHFFFAOYSA-N 284.286 2.786 0 1 CFAF Cc1ccc2[nH]cc([C@]3(O)C(=O)Nc4ccc(F)cc43)c2c1 299829342 LTZJTCCJPAQEIJ-KRWDZBQOSA-N 296.301 2.803 0 1 CFAF CC1(C)Cc2cc3c(O)nc(O)nc3nc2-c2ccccc21 587562391 ZGCUTQFVEWMGLT-UHFFFAOYSA-N 293.326 2.937 0 1 CFAF CC[C@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586893760 YKVNRJCSWYQAFT-NOZJJQNGSA-N 280.349 2.713 0 1 CFAF C[C@@H](F)[C@H](N)c1nc2ccc(C(C)(C)C)nc2[nH]1 587123126 HWZGUUSBEQYPOP-XCBNKYQSSA-N 250.321 2.613 0 1 CFAF COc1c(C)cc(O)n1-c1ccnc(Br)c1 587939773 JIMFNFPZXBJJHV-UHFFFAOYSA-N 283.125 2.657 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccc(CO)cc1)[C@@H](C2)C3=O 587453741 ZZWPLEKFWKLREM-KBXCAEBGSA-N 296.322 2.676 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(=O)c1ccccc1)O2 587404902 HLFBRFZRWSLRKD-HNNXBMFYSA-N 281.311 2.794 0 1 CFAF Cc1cnc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)n1C 963105016 MNFVZACHWQFRFX-GOEBONIOSA-N 285.366 2.978 0 1 CFAF COCCn1cc(-c2ccncc2)c2ccncc21 1772617386 OVRGOPVESVCREL-UHFFFAOYSA-N 253.305 2.745 0 1 CFAF CC(C)(C)c1cc2c(ccc3nc(N)nc(N)c32)[nH]1 5881950 DGLVMTWZETZWPO-UHFFFAOYSA-N 255.325 2.573 0 1 CFAF Cc1nn(-c2cccc(N)c2)c2[nH]c3ccccc3c(=O)c12 12405815 MHHQMGMGPUIGHI-UHFFFAOYSA-N 290.326 2.758 0 1 CFAF Cc1ccc(N2CN3C(=N2)C(=O)Nc2ccccc23)cc1 13672105 AKZYSDGJLBSGHC-UHFFFAOYSA-N 278.315 2.545 0 1 CFAF CN(C)CCc1c[nH]c2ccc(Cn3ccnc3)cc12 13741358 GXDRKMVYBOOCOD-UHFFFAOYSA-N 268.364 2.517 0 1 CFAF c1cnn2ncc(-c3ccnc(NC4CCCCC4)n3)c2c1 1857551878 QWEYEXFFCSLLHX-UHFFFAOYSA-N 294.362 2.931 0 1 CFAF Clc1cnc(Nc2cn[nH]c2)[nH]c1=Nc1ccccc1 1857590127 VDPHYTKFUFZVHE-UHFFFAOYSA-N 286.726 2.762 0 1 CFAF N[C@@H](Cc1cc(Cl)cc(-c2cccc(O)c2)c1)C(=O)O 1857640206 BVVVTCHBCLYRTJ-AWEZNQCLSA-N 291.734 2.667 0 1 CFAF Cc1ccc(Nc2ccc(N3C[C@@H]4C[C@H](C3)N4)cn2)cc1 1857750060 YBVVYGRYHCZWCE-GASCZTMLSA-N 280.375 2.684 0 1 CFAF CCn1nc(C)c2cc(N=c3[nH][nH]c4cccnc34)ccc21 1857767828 CJSBLUOHVDULKB-UHFFFAOYSA-N 292.346 2.801 0 1 CFAF CSc1ncnc2c1ncn2[C@@H](C)c1cccc(O)c1 29557772 LCBKDQXXLOFNAL-VIFPVBQESA-N 286.360 2.863 0 1 CFAF CCOC(=O)c1c(OC2CCCC2)c(CC)c(C)[nH]c1=O 45496417 VNKKHEUJTJOZIU-UHFFFAOYSA-N 293.363 2.744 0 1 CFAF CCC[C@H](O)c1ccc(O[C@@H]2CCOC2)c(OC)c1 40872646 XHDUWXZQVUSXPT-OLZOCXBDSA-N 266.337 2.696 0 1 CFAF COc1ccccc1-c1c[nH]c2ncnc(N(C)C)c12 224876644 FCQGLPMXRIMRIK-UHFFFAOYSA-N 268.320 2.700 0 1 CFAF Cc1cc(C)c2ccc(=S)n(CCN(C)C)c2n1 141552326 UNJHMGABGRYFFE-UHFFFAOYSA-N 261.394 2.944 0 1 CFAF Clc1ccc(COc2cc3n(n2)CCCC3)nc1 96911200 SDPJGTOZBXYCFL-UHFFFAOYSA-N 263.728 2.847 0 1 CFAF COc1ccc(Cn2c(C(N)=O)cc3sccc32)cc1 653812693 RSYGUQAHGHBCAI-UHFFFAOYSA-N 286.356 2.859 0 1 CFAF CCCc1c(O)ccc2c1O[C@]1(CC=COC1=O)CC2=O 587491127 NEISRQCRLQOIBK-MRXNPFEDSA-N 288.299 2.509 0 1 CFAF COc1ccc(C=O)cc1-c1nc2c(C)ccnc2[nH]1 587785681 BBQGCPBELLBJDI-UHFFFAOYSA-N 267.288 2.754 0 1 CFAF Cc1cnc(Cl)c2nc(/C=C/C=C/C(=O)O)[nH]c12 587969062 PVEBQJYZNHMARG-ZUVMSYQZSA-N 263.684 2.574 0 1 CFAF CC(C)(CC(=O)O)Cc1nc2cc(Cl)cnc2[nH]1 587956376 YZQCFMBNCIDVNZ-UHFFFAOYSA-N 267.716 2.655 0 1 CFAF CCCc1c(O)ccc2c1O[C@@]1(CC=COC1=O)CC2=O 587491120 NEISRQCRLQOIBK-INIZCTEOSA-N 288.299 2.509 0 1 CFAF Cc1cc2nc([C@H](N)Cc3cscn3)[nH]c2cc1F 587028858 AJIKZUJOBQNQAB-SNVBAGLBSA-N 276.340 2.709 0 1 CFAF CC(C)(C)c1cccc2nc([C@@H]3CSCC(=O)N3)[nH]c12 587042276 CHJYIAZFYVSBOP-NSHDSACASA-N 289.404 2.765 0 1 CFAF CC(=O)c1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)n(C)c1 587390294 LVZRDIMSVFYRBS-MRXNPFEDSA-N 298.342 2.825 0 1 CFAF O=C1C[C@H](CC2COC2)Oc2c1ccc1c2CCCC1 587536783 WKOBUPNUYIYDRR-ZDUSSCGKSA-N 272.344 2.936 0 1 CFAF O=c1c2cc(Cl)ccc2cnn1-c1ncccc1F 587651265 GHSBOESBMBHQSY-UHFFFAOYSA-N 275.670 2.573 0 1 CFAF Nc1ccc(F)c(Cc2nc3cc(Cl)ncc3[nH]2)c1 587141094 KZVSPBOIQRJFBW-UHFFFAOYSA-N 276.702 2.923 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H](C)C1=O)O2 587404736 HCUPFZAANWGPPN-QLJPJBMISA-N 273.332 2.670 0 1 CFAF O=C(Nc1ccccc1Cl)c1nc2ccncc2[nH]1 587060152 CGCLNWISWCLYLY-UHFFFAOYSA-N 272.695 2.864 0 1 CFAF CC(C)N1CCC([C@H]2NCCc3nc4ccccn4c32)CC1 962983342 LBVBSRULOTYUBW-QGZVFWFLSA-N 298.434 2.642 0 1 CFAF CSCN1c2ncccc2C(=O)N(C)c2cccnc21 5852324 CCPGFAZDSIYHBB-UHFFFAOYSA-N 286.360 2.525 0 1 CFAF O=C1C[C@@H]2CCN3C(=O)CCC[C@@H]([C@H]23)[C@H]1Cc1ccccc1 13813332 QTFQVSWZLQAFPF-MKSNKDDYSA-N 297.398 2.835 0 3 CFAF Cn1c(-c2cc(O)c3c(c2)OCO3)cc(=O)c2ccccc21 15263553 GUHRVGVHRCXTBP-UHFFFAOYSA-N 295.294 2.640 0 1 CFAF CC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@@H]1N2C 169301856 VFHWZFOARRJNNR-FZKCQIBNSA-N 261.340 2.981 0 1 CFAF O=c1[nH]c2cccnc2n1-c1cccc2c1CCCC2 169320868 PGEHCFDUTOUHPG-UHFFFAOYSA-N 265.316 2.593 0 1 CFAF COc1ccc2cc(O)n(-c3ccccc3OC)c(=O)c2c1 169693754 WNTZHBDPOPMTFF-UHFFFAOYSA-N 297.310 2.714 0 1 CFAF O[C@@H](Cc1ccccc1-c1cnn[nH]1)c1ccccc1 1857540834 PFSWOURDRVXLLG-INIZCTEOSA-N 265.316 2.748 0 1 CFAF CNC1(COc2cnc(Cl)c(Br)c2)CC1 29126824 KGXLCUFPAQXGLH-UHFFFAOYSA-N 291.576 2.628 0 1 CFAF in-vitro CCC(=O)NC/C=C1/CCc2ccc3nc(C)oc3c21 118579076 IROSIMFNTNBWOY-WQLSENKSSA-N 270.332 2.992 0 1 CFAF Cn1cc(-c2ccncn2)c(-c2ccc(F)cc2)n1 63298102 JZVUYHDTYQWBFB-UHFFFAOYSA-N 254.268 2.683 0 1 CFAF CC(C)CN1CCN2c3cccc4[nH]cc(c34)C[C@@H]2C1 118546767 DMGPDLSWGBDRHU-CQSZACIVSA-N 269.392 2.871 0 1 CFAF CC12C[C@H]3C([C@@H]1n1cnc4c(Cl)ncnc41)[C@@H]3C2 102094739 KIWDUNMWYRIGDM-FMOPOYNCSA-N 260.728 2.697 0 1 CFAF CC1(C)[C@H]2CC[C@](C)(CO)[C@@H]3CC[C@](C)(O)[C@H]3[C@H]21 2356417930 QRNCFBFFFBWNIU-LFXHGEBLSA-N 252.398 2.828 0 1 CFAF COC(=O)[C@H](c1cc(C)cc(C)c1)[C@H]1CCCCN1 64437808 OQNVWHLLYQJVEV-HUUCEWRRSA-N 261.365 2.702 0 1 CFAF in-vivo Cc1c(C(C)C)c(=O)on1C(=O)N1CCCC(C)(C)C1 26939333 NCEXOMOURHLMBI-UHFFFAOYSA-N 280.368 2.963 0 1 CFAF Cc1c([C@H](C)OC(=O)Nc2ccccc2)oc2ncnn12 66252344 GLKOLRAYQWILGD-JTQLQIEISA-N 286.291 2.940 0 1 CFAF COC[C@H](C)NC(=O)c1cn(C(C)(C)C)c2ncccc12 72323125 OMGHGKUIVVMDJX-NSHDSACASA-N 289.379 2.556 0 1 CFAF CNC[C@@]1(O)Cc2ccccc2[C@H]1Cc1ccccc1C 40836212 IOEFEBQWPLLQHN-MOPGFXCFSA-N 281.399 2.828 0 1 CFAF O=C(CCc1ccccc1)Cn1cncc1Br 89455768 BITQAKRSBWPHNK-UHFFFAOYSA-N 293.164 2.848 0 1 CFAF O=[S@](CCOc1ccccc1)c1nc2ccccc2[nH]1 95593330 OFUVWRNZXOWBMZ-FQEVSTJZSA-N 286.356 2.750 0 1 CFAF CCN(C)C(=O)Oc1ccc2c(c1)NC[C@H]2CCC(=O)O 95564509 TXIUZNGEJNTQQU-SNVBAGLBSA-N 292.335 2.511 0 1 CFAF Cc1[nH]c2ccccc2c1-c1ccc2c(O)nc(O)nc2n1 587555520 PFUCGZOOXCNBHE-UHFFFAOYSA-N 292.298 2.893 0 1 CFAF Cc1cc2c(O)nc(O)nc2nc1-c1cc(F)cc(F)c1 587368418 PCHUKVIZSYDSQV-UHFFFAOYSA-N 289.241 2.690 0 1 CFAF Cc1nc(N(C)C)ncc1-c1nc2ccc(F)c(C)c2[nH]1 587194522 HUIUPRRJRXXESL-UHFFFAOYSA-N 285.326 2.842 0 1 CFAF Nc1cccc(-c2nc3ccnc(Cl)c3[nH]2)c1C(=O)O 587248784 WCSFPAICQYYVFK-UHFFFAOYSA-N 288.694 2.559 0 1 CFAF CC(C)c1[nH]c2c(C(=O)O)cccc2c1-n1cncn1 587639462 WTGMZHRQRXXEHL-UHFFFAOYSA-N 270.292 2.570 0 1 CFAF Cc1ccc(OCc2nc3ccc(C(=N)N)cc3[nH]2)cc1 587565696 QEAMJSOSBKBKBO-UHFFFAOYSA-N 280.331 2.734 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1ccncc1)O2 587396218 YBRFEEZLLCDFPM-KRWDZBQOSA-N 282.343 2.939 0 1 CFAF Nc1ccnc2nc(-c3ccc(OC(F)F)cc3)[nH]c12 587129984 BIVLRZAEUZVPPF-UHFFFAOYSA-N 276.246 2.809 0 1 CFAF Cc1cnc(Cl)c2[nH]c([C@@](C)(O)C(C)C)nc12 586887538 IWYYZNWYKHJCHV-LBPRGKRZSA-N 253.733 2.783 0 1 CFAF CC[C@@H](C)CSC(=S)NCCCC[S@@](C)=O 1857654466 PBJANPMKZXATOM-QLJPJBMISA-N 281.512 2.799 0 1 CFAF COC(=O)/C(C(=N)c1ccccc1Cl)=C(\C)O 1779851106 HMBLGEUGFJNECA-BXOUXZMXSA-N 253.685 2.713 0 1 CFAF COc1cc(-c2cc(OC)c(O)c(OC)c2)ccc1O 13377059 KOOASJSFQKPUPR-UHFFFAOYSA-N 276.288 2.791 0 1 CFAF CCc1cc(CNc2nc3ccccc3o2)c(=O)[nH]c1C 5887097 JOJRZHBMXFTUHG-UHFFFAOYSA-N 283.331 2.999 0 1 CFAF CCN(CC)[C@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1=O 19990167 PZFDKCVQMRMOHT-AWEZNQCLSA-N 288.391 2.586 0 1 CFAF CO[C@H]1CC[C@H]1N1C(=O)CS[C@@H]1c1c(F)cccc1F 169293140 DOYWPVHFSLHLKP-UHIISALHSA-N 299.342 2.716 0 1 CFAF O=C1c2ccc(O)cc2CC[C@H]1Cc1ccncc1 13824078 LJEWMXPEINISGE-ZDUSSCGKSA-N 253.301 2.775 0 1 CFAF Cc1ccc(S(=O)(=O)[N@@]2C[C@@H]2C2CCCCC2)cc1 2356320367 BTJYPSWDXLYTKQ-CVEARBPZSA-N 279.405 2.948 0 1 CFAF CCN(c1ccccc1)S(=O)(=O)c1ccc(O)c(C)c1 28570590 DCBUVLALANAQKF-UHFFFAOYSA-N 291.372 2.916 0 1 CFAF C[C@@H]1CC(C)(C)C[C@](O)(c2nnc(-c3ccncc3)[nH]2)C1 103176406 DOHPLGDLSMWGJL-BZNIZROVSA-N 286.379 2.901 0 1 CFAF CCOC(=O)c1cc2ccc(C(=O)OC)cc2s1 113284849 JHYTWQVWWIKHOW-UHFFFAOYSA-N 264.302 2.865 0 1 CFAF CC(C)N(C(=O)[C@@]1(c2ccccc2)C[C@@H]1CN)C(C)C 26961194 YNXFZOVYRWOMIR-NVXWUHKLSA-N 274.408 2.548 0 1 CFAF COc1cc(F)ccc1-c1cncc(CNCC2CC2)n1 71335114 YICPRNFRCVOHKV-UHFFFAOYSA-N 287.338 2.791 0 1 CFAF CCc1oc2ccccc2c(=O)c1C(=O)c1ccncc1 40872973 XXAWBUPRPQJWCR-UHFFFAOYSA-N 279.295 2.981 0 1 CFAF CCOCCCNc1nc(N2CCC[C@H]2C)ncc1C 82201851 DHNYBQXTQAZAJH-CYBMUJFWSA-N 278.400 2.612 0 1 CFAF COc1cc(OC)c(OC)cc1/C=C/[C@@H]1CC=CC(=O)O1 84707833 NADJOTWKBUUKOO-GUOLPTJISA-N 290.315 2.597 0 1 CFAF O=C1CN2O[C@]2(c2ccccc2)c2cc(Cl)ccc2N1 40979916 UXZCEAOLZZBKGQ-NNJIEVJOSA-N 286.718 2.740 0 1 CFAF CC(C)[C@H](c1cc2c3c(c1)CCN3C(=O)CC2)n1ccnc1 95556395 QFVWNWUBYUMAPA-QGZVFWFLSA-N 295.386 2.964 0 1 CFAF CC1=C(C(=O)O)[C@@H](O)[C@]2(C)CC[C@H]3[C@H](C)CC[C@]132 238755310 AJWPBKUPPHKPLG-QJLGLGQJSA-N 250.338 2.595 0 1 CFAF O=c1n(-c2ccc(Br)cc2)cc2n1CCCC2 95920770 GFAHDFVNRDEGGX-UHFFFAOYSA-N 293.164 2.738 0 1 CFAF in-vitro N[C@@H]1CC[C@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)C1 587246447 KQNDQIXDZBFLMR-POYBYMJQSA-N 270.258 2.572 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1cncc(F)c1)[C@@H](C2)C3=O 587429891 XPPFPPUBSFMUCQ-GUYCJALGSA-N 299.301 2.892 0 1 CFAF CC(C)[C@H]1CCCc2nc3nc(O)nc(O)c3cc21 587561699 JXRMVQNVYTUSRB-MRVPVSSYSA-N 259.309 2.512 0 1 CFAF CN1C=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC1=O 587518388 HFDREWWZUKAUDW-SFHVURJKSA-N 297.354 2.645 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cnccc31)O2 587396129 WZKDGBWCOSVRKT-QGZVFWFLSA-N 280.327 2.779 0 1 CFAF COc1cc2c3c(c1)O[C@]1(CCc4cnccc41)[C@@H](C2)C3=O 587434915 AIWJPNUKJSMTKG-KSSFIOAISA-N 293.322 2.679 0 1 CFAF COc1ccc(Cc2nc3cccnc3[nH]2)c(F)c1 587149912 WCCNRCJWXVPVSP-UHFFFAOYSA-N 257.268 2.696 0 1 CFAF CC[C@@H]1C[C@H](C)Cc2cc3c(O)nc(O)nc3nc21 587561250 GKMOIGXANIXENP-JGVFFNPUSA-N 259.309 2.512 0 1 CFAF CN1C=CN(COCCC[Si](C)(C)C)C1=CN=O 1857535778 MSDXFCQFXCJYBP-UHFFFAOYSA-N 269.421 2.973 0 1 CFAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccsc1 169371931 SLCCHPKEJRCPRS-HGGGDWJHSA-N 289.400 2.787 0 1 CFAF Nc1c2c(nc3c1C[C@H](c1ccccc1)C(=O)N3)CCCC2 1857584094 AXONXZBUCVBNLR-CYBMUJFWSA-N 293.370 2.821 0 1 CFAF Cc1[nH]cnc1CN1CCN(c2cccc(Cl)c2)C1=O 6052 KTWMENHPJOHXBN-UHFFFAOYSA-N 290.754 2.814 0 1 CFAF C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1OCC2=O 26975735 FANDDLFIYCQQPS-FSDCSDTHSA-N 272.344 2.806 0 1 CFAF CC(C)Cc1cc(-c2ccc3n[nH]c(N)c3c2)on1 63298274 FQEODTMNWMDUMD-UHFFFAOYSA-N 256.309 2.999 0 1 CFAF COc1cc(C=CC(=O)n2cccc2)cc(OC)c1O 2356468013 NTUHTAKHEMBKOG-UHFFFAOYSA-N 273.288 2.565 0 1 CFAF C[C@H](O)C[C@H]1CCC[C@@H](CC(=O)c2ccccc2)N1C 2356658270 MMIDMSZRVRHQIJ-IMJJTQAJSA-N 275.392 2.883 0 1 CFAF CC(=CC(=O)O)CC[C@]1(C)C(C)=C(CO)[C@@H](C)[C@]1(C)O 2356736125 UFVJSNUROFSAJQ-WQVCFCJDSA-N 282.380 2.513 0 1 CFAF C=CC[C@]1(Cl)C(O)=C(Cl)C(=N)C1(OC)OC 3984360 VPCDFMIKEJQJMN-VIFPVBQESA-N 266.124 2.571 0 1 CFAF biogenic c1ccc(CN2CCN(C[C@H]3CSCS3)CC2)cc1 1911574184 YEBCMFLMLQEJBU-HNNXBMFYSA-N 294.489 2.610 0 1 CFAF CC(C)c1cn2c(=O)c3cc(C(=O)O)ccc3nc2s1 40465097 ZNBLEPBLNKLGTR-UHFFFAOYSA-N 288.328 2.731 0 1 CFAF Clc1ncn2c1Cn1nccc1-c1ccccc1-2 45321345 MSRNVNZNXODLKA-UHFFFAOYSA-N 256.696 2.751 0 1 CFAF COc1cnc(-c2ccccn2)nc1N1C[C@H]2CC[C@@H]1C2 84690479 SAYSOEZJHKWNKH-NWDGAFQWSA-N 282.347 2.536 0 1 CFAF N[C@H](Cc1cc(F)c(F)cc1F)c1ccncc1 40974299 YOTFZLCOHHPLRI-CYBMUJFWSA-N 252.239 2.741 0 1 CFAF CC1=CC2=NC(=S)NC(=O)[C@H]2[C@H](c2ccccc2)C1 45286117 ODEPXFGQOIVDAS-AAEUAGOBSA-N 270.357 2.592 0 1 CFAF CC(=O)C[C@H](c1ccco1)[C@H]1C(=O)Oc2ccccc2C1=O 147632368 RALRFBOAOMIENT-IUODEOHRSA-N 298.294 2.760 0 1 CFAF COc1cccc(OC)c1-c1cccc(N2CCNCC2)c1 95552494 YXMRXBWDIUXJQM-UHFFFAOYSA-N 298.386 2.780 0 1 CFAF Cc1ccncc1N1CCN(c2ccc3c(c2)CCO3)C1=O 149433224 JGNMCQJBWINJBW-UHFFFAOYSA-N 295.342 2.772 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C1(C)CCOCC1)O2 587413934 UGXNGHVZKRGPKX-CQSZACIVSA-N 275.348 2.728 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C)on1)O2 587394408 GMBKJOGTOSMNOC-HNNXBMFYSA-N 272.304 2.754 0 1 CFAF Cc1ncsc1CCc1nc2cccc(C(=O)O)c2[nH]1 587028006 LYEPLRQWECAUNK-UHFFFAOYSA-N 287.344 2.811 0 1 CFAF FC(F)(F)OCc1nc2cc(Cl)cnc2[nH]1 587124756 OEYHWGFICZUAHY-UHFFFAOYSA-N 251.595 2.648 0 1 CFAF Cc1cc(C)cc(OCc2nc3cc[nH]c(=N)c3[nH]2)c1 587564311 IIRIREGFUUBKLK-UHFFFAOYSA-N 268.320 2.566 0 1 CFAF CCOC(=O)[C@@H]1C[C@H]1[C@@H]1NCCc2c1sc(C)c2C 963027667 QIDHSODMUWVVFO-UPJWGTAASA-N 279.405 2.751 0 1 CFAF COC(=O)[C@H]1[C@@H](c2ccc(C)c(F)c2)C[C@@H]2CC[C@@H]1N2C 169350145 ZIXPADCAHDMWPA-XRGAULLZSA-N 291.366 2.873 0 1 CFAF CC(C)(C)N1O[C@H]2C[C@H]1c1nc3ccccc3n1C2 169689333 NPCGQMDRXCHFDL-GWCFXTLKSA-N 257.337 2.895 0 3 CFAF CC1=C[C@H](CO)[C@@H](C(C)C)C[C@H]1Cc1nnc(C)o1 2356320813 ORKBQXNJEYEYHX-BFHYXJOUSA-N 264.369 2.767 0 1 CFAF CN(Cc1ccco1)c1cc(-c2cccnc2)ncn1 4258354 JUADRHVNYARMHR-UHFFFAOYSA-N 266.304 2.768 0 1 CFAF C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1O 4960483 KMTCRDRWKJLWTR-IAQYHMDHSA-N 253.301 2.895 0 3 CFAF O=C1c2ccccc2[C@@]2(c3ccccc3)OCCCN12 6582024 YZKPHSSFGMOHEY-QGZVFWFLSA-N 265.312 2.764 0 1 CFAF Cc1nc2nc(N3CCC[C@H]4CCCC[C@H]43)ccc2[nH]c1=O 58978416 VRWPWNJEFRFRTF-TZMCWYRMSA-N 298.390 2.786 0 1 CFAF O=C(O)c1cc(-c2cccc(Cl)c2F)ncn1 117588254 IZZVCQGMXWJWJN-UHFFFAOYSA-N 252.632 2.634 0 1 CFAF NC(=O)c1cc(-c2ccncc2)[nH]c1-c1ccccc1F 64527078 MPTYZJWCCYPGET-UHFFFAOYSA-N 281.290 2.982 0 1 CFAF CC(C)n1nc(-c2ccc3c(c2)CCO3)c2c(N)ncnc21 64479736 LNWUSIFVARIMOH-UHFFFAOYSA-N 295.346 2.591 0 1 CFAF O=c1c2cc(F)ccc2[nH]c2sc(Cl)nc12 27734705 IREAKKGEDYJBAZ-UHFFFAOYSA-N 254.673 2.930 0 1 CFAF c1ccc(COC[C@H](c2ccccc2)N2CCNCC2)cc1 22926707 HEXJFCRUKRBWPM-LJQANCHMSA-N 296.414 2.850 0 1 CFAF O=C(C=Cc1ccc2c(c1)OCO2)N1C=CCCC1 2356662239 IKQQXQLLOSZQOS-UHFFFAOYSA-N 257.289 2.565 0 1 CFAF OCCCN1[C@H]2CC[C@@H]1c1c([nH]c3ccc(F)cc13)C2 27104415 QJONDYJKMHCZCZ-XHDPSFHLSA-N 274.339 2.751 0 1 CFAF CCCCc1cc(=O)oc2nc(C(F)F)nc(O)c12 66080020 YYCZNFQDNBAXBU-UHFFFAOYSA-N 270.235 2.569 0 1 CFAF C=Cc1ccc([C@H]2C[C@H]3CC[C@H](N3)[C@H]2C(=O)OC)cc1 33967435 KHYFCJWXLVZFLY-WCVJEAGWSA-N 271.360 2.727 0 1 CFAF C/C(=C\CC[C@]1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)O)C(=O)O 31166620 QPVGQZZKAUMQSM-NHSZKAASSA-N 252.354 2.985 0 1 CFAF FC(F)C(F)(F)c1nc2ncc(Cl)cc2[nH]1 141210085 AZJFBGKWHDZETA-UHFFFAOYSA-N 253.586 2.968 0 1 CFAF COc1cccc2nc(-c3cccc(N)c3C(=O)O)[nH]c12 587249257 FZMVXRQHOJSJQT-UHFFFAOYSA-N 283.287 2.519 0 1 CFAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cccc(F)c2[nH]1 587094188 MGEKYMCRTCIATP-LURJTMIESA-N 289.232 2.832 0 1 CFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)OC 587871072 YPHPEDQVIQLWBG-SNVBAGLBSA-N 292.310 2.763 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3CC[C@H]1N3C)O2 587397422 AOUSHXKBKQRKMP-JGFGOQIWSA-N 286.375 2.538 0 1 CFAF Cc1cc2nc([C@H]3CC(=O)OC3(C)C)[nH]c2cc1C 586906440 DEOYSEVWLBGJHU-SNVBAGLBSA-N 258.321 2.989 0 1 CFAF COc1cc2c3c(c1)O[C@]1(CCC[C@@]4(C)O[C@H]41)[C@@H](C2)C3=O 587449214 ALSVMOPANTYDEJ-KSHAWTQOSA-N 286.327 2.523 0 1 CFAF O=C1CC2(CC(CO)C2)Oc2c1ccc1c2CCCC1 587530973 XNRMLIGPUOCVAP-UHFFFAOYSA-N 272.344 2.672 0 1 CFAF Cc1nc2[nH]c([C@](C)(O)C(C)C)nc2cc1Br 586885663 CQFITPVCORUPMW-GFCCVEGCSA-N 298.184 2.892 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCn1nc(C)cc1C)O2 587390238 FXXCOFXNIGWRNI-CYBMUJFWSA-N 299.374 2.815 0 1 CFAF NC1CC(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)C1 587255553 QJNQSBBLSPLNGN-UHFFFAOYSA-N 271.151 2.545 0 1 CFAF COc1nccc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c12 587115681 WMRWFZWVAHQCBV-UHFFFAOYSA-N 296.252 2.991 0 1 CFAF CC1([C@@]2(C)c3ccsc3CCN2C(N)=O)CCOCC1 962717964 XZCRVIMIPWZHFG-OAHLLOKOSA-N 294.420 2.717 0 1 CFAF Nc1ccc([C@H]2NCCc3ccc(O)cc32)cc1Cl 963329107 LLDIAEMHGMQDRG-OAHLLOKOSA-N 274.751 2.863 0 1 CFAF CCC(=O)C[C@]1(C(F)(F)F)NCCc2ccc(O)cc21 963354340 WHYUJXVPSKGPMV-ZDUSSCGKSA-N 287.281 2.665 0 1 CFAF CCCCNc1nc(N)nc(C)c1CCCC(C)(C)O 1772630567 FFHKACIWNAOTCH-UHFFFAOYSA-N 280.416 2.673 0 1 CFAF O=c1cc(-c2cccc(O)c2)oc2cc(O)cc(O)c12 13514734 BEXPKGWBRBLIIC-UHFFFAOYSA-N 270.240 2.577 0 1 CFAF C[C@H](CO)CC(=O)C[C@]1(C)CC[C@@H](c2ccoc2)O1 14556665 LKVKWNDXOWODLO-CQDKDKBSSA-N 266.337 2.868 0 1 CFAF endogenous,in-man COc1cccc(-c2cc(=O)c3cccnc3[nH]2)c1 5503298 DVIFGVPPUSCDGE-UHFFFAOYSA-N 252.273 2.599 0 1 CFAF C[C@]1(O)CC[C@@H]2[C@H](C=C[C@]3(C)OC(=O)CC[C@@]23C)C1 2356334932 PVEDCQZJTQKQDQ-WOOFSFRISA-N 264.365 2.826 0 1 CFAF CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(N)cc13 3801204 CYPHSPITDGFDMD-PVAVHDDUSA-N 256.393 2.957 0 1 CFAF Cn1c(SCc2cccnc2)nc2cccnc21 4852661 CFDRQGUQCRDDDU-UHFFFAOYSA-N 256.334 2.656 0 3 CFAF O[C@H]1c2cc3c(cc2S[C@H]1Cn1ccnc1)CCCC3 27406989 CHNOAHYYZLYAMP-HOTGVXAUSA-N 286.400 2.970 0 1 CFAF O=C(Nc1ccccc1)c1cccc(CO[N+](=O)[O-])c1 72175361 SHYMZCCTTNGQHQ-UHFFFAOYSA-N 272.260 2.647 0 1 CFAF CCOC(=O)[C@H]1CCc2nc3c(ccn4ccnc34)cc2C1 40380155 ZVIIRNPSHFXSPU-LBPRGKRZSA-N 295.342 2.551 0 1 CFAF C[C@@H]1CN(Cc2ccc(OC3CCOCC3)cc2)C(=O)O1 40410346 YJAILWGTJCSUIS-GFCCVEGCSA-N 291.347 2.585 0 1 CFAF COc1cc(O)ccc1-c1nc2ccc(O)cc2[nH]1 96906805 QLDCNXDOWRQGKM-UHFFFAOYSA-N 256.261 2.650 0 1 CFAF Clc1cnc(Nc2ccc([C@H]3CNCCO3)cc2)nc1 149933380 BCNVOCHGDPAXIS-CYBMUJFWSA-N 290.754 2.535 0 1 CFAF Cn1c(Cc2ccccc2)nc2ccccc2c1=O 238736018 JGSQZCHIKVHDQV-UHFFFAOYSA-N 250.301 2.524 0 1 CFAF Cc1cnc(Cl)c2[nH]c(CC[C@@H](C)CC(=O)O)nc12 587960855 NLOXJQUGDCLUBM-SSDOTTSWSA-N 281.743 2.963 0 1 CFAF COC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587803751 XPINCAXYUXLIDS-XVKPBYJWSA-N 288.160 2.810 0 1 CFAF OCc1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1 586918457 MXDXDFZRLBTKLH-HNNXBMFYSA-N 282.299 2.568 0 1 CFAF CSc1ccc2nc(C[S@@](=O)CC3CC3)[nH]c2c1 586960054 RBTUWSYUISPNIM-SFHVURJKSA-N 280.418 2.944 0 1 CFAF CCOc1cc(-c2cccc(F)c2)nn1-c1nccn1C 587871687 NGWDVHNKAYLIAC-UHFFFAOYSA-N 286.310 2.811 0 1 CFAF CC(=O)Nc1cccc(Cc2nc3c(C)ccnc3[nH]2)c1 587242875 WQUNWXCVYBXMRX-UHFFFAOYSA-N 280.331 2.816 0 1 CFAF CSCC(C)(C)c1nc2nc(Cl)c[nH]c-2n1 586968283 BPGRPFZHXXMUGX-UHFFFAOYSA-N 256.762 2.599 0 1 CFAF CCc1ccc2[nH]c(-c3c(N)cncc3OC)nc2c1 587254086 LHDMJPMECBJVNB-UHFFFAOYSA-N 268.320 2.778 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccnc1F)O2 587387493 SPGKKGMCLTYUHT-CYBMUJFWSA-N 272.279 2.818 0 1 CFAF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)O 45821311 LAFIGVHEVJGKIG-UHFFFAOYSA-N 267.668 2.696 0 1 CFAF Cc1ccc2cccc(OC[C@@H](C)CS(C)(=O)=O)c2n1 84210033 UGHGELZOMVGNQY-LLVKDONJSA-N 293.388 2.603 0 1 CFAF C[C@@]12CCC=C(CO)C1=CC(=O)O[C@H]2c1ccoc1 13375220 OVWYWAKWCKVABI-LSDHHAIUSA-N 260.289 2.523 0 1 CFAF COc1cc[nH]c1/C=C1\C(=O)Nc2ccc(F)cc21 13478420 BDXDLMWAHSTBQF-YFHOEESVSA-N 258.252 2.655 0 1 CFAF COc1ccc2[nH]c3c(c2c1)CC(=O)Nc1ncccc1-3 13532104 JPHAEJHQLJHGRG-UHFFFAOYSA-N 279.299 2.733 0 1 CFAF COc1ccccc1-n1ncc(C(=O)c2ccccc2)c1N 13683009 WIYLORBEKWAYGP-UHFFFAOYSA-N 293.326 2.694 0 1 CFAF C1=C(c2n[nH]c3cnc(-c4cccnc4)cc23)CCO1 205245274 WKTDTRHRYHVFRZ-UHFFFAOYSA-N 264.288 2.781 0 1 CFAF NC(=O)c1csc(NC(=O)Cc2c[nH]c3ccccc23)c1 1857628834 GYLCZHQOXILEQW-UHFFFAOYSA-N 299.355 2.510 0 1 CFAF COc1ccc(N(C(=O)NCCO)c2ccccc2)cc1 1639491 HEGWHRMIGULUCG-UHFFFAOYSA-N 286.331 2.535 0 1 CFAF CCc1cc2c(Sc3nnc(N)s3)ncnc2s1 3126534 AUPONMVZYSWRCP-UHFFFAOYSA-N 295.418 2.839 0 1 CFAF Cc1ccc2cc3cc(C(=O)NCCN(C)C)oc3nc2c1 6256524 PXTNTPSERUSOBT-UHFFFAOYSA-N 297.358 2.581 0 1 CFAF CN1[C@@H]2CC[C@@H]1CC(OC(=O)c1cccs1)C2 101634875 JDLRSQVASPMBKN-NXEZZACHSA-N 251.351 2.530 0 1 CFAF c1ccc([C@H]2CNCCN2c2ccc3[nH]ncc3c2)cc1 53243636 NPBFISOTLZPTLN-QGZVFWFLSA-N 278.359 2.714 0 1 CFAF CCn1nc(C)c(C(=O)c2ccccc2Cl)c1N 29204842 QWEWASQRQKLHDM-UHFFFAOYSA-N 263.728 2.678 0 1 CFAF O=C1[C@@H]([C@H](O)c2ccccn2)CCCN1Cc1ccccc1 103295726 PAAXSNLDEXOHBR-WBVHZDCISA-N 296.370 2.554 0 1 CFAF Cc1c(Cl)sc2c(SCC(=O)O)ncnc12 113839750 CFQQWZICYFNHKC-UHFFFAOYSA-N 274.754 2.830 0 1 CFAF O[C@@](c1ccc(Cl)cc1)(c1cncnc1)C1CC1 28769320 GHALJIWVFQMGND-AWEZNQCLSA-N 260.724 2.776 0 1 CFAF CCOC(=O)[C@@]1(C)CCCN1C(=O)c1c(F)cccc1F 61906744 RONFRKSEQUZHQN-OAHLLOKOSA-N 297.301 2.523 0 3 CFAF Oc1cc(-c2ccccc2)nn1-c1ccc(F)cn1 1911571764 VPIHXXJGVXJWPJ-UHFFFAOYSA-N 255.252 2.779 0 1 CFAF C[C@H](NC(=O)O[C@H]1[C@H]2C=C[C@H](O)[C@H]1CC2)c1ccccc1 195468806 NYTSBEZBDJWGFP-AMMHQNNLSA-N 287.359 2.799 0 1 CFAF Nc1ncnc2ccc(-c3cccc(Cl)c3)nc12 148838552 VDIDQANNEVPPIF-UHFFFAOYSA-N 256.696 2.927 0 1 CFAF Cc1cc2nc(-c3ccc(NC(N)=O)cc3)[nH]c2c(C)n1 587244043 WAGAXOJAQXGMIC-UHFFFAOYSA-N 281.319 2.732 0 1 CFAF CC(C)[C@](C)(O)c1nc2ccnc(Br)c2[nH]1 586885406 BJFATXLTOOULDA-NSHDSACASA-N 284.157 2.584 0 1 CFAF CN(C)CCC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873139 CQILIVPMKRWDRW-UHFFFAOYSA-N 275.283 2.387 0 1 CFAF CC[C@@H](C)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587956004 NGJFSYLGPJCWDS-GFCCVEGCSA-N 273.380 2.909 0 1 CFAF CC1=C(c2ccc3nc(C=C4CCC4)[nH]c3c2)NNC(=O)C1 587964622 DWRRHTKYAHLFHL-UHFFFAOYSA-N 294.358 2.886 0 1 CFAF N[C@@H]1CC[C@H](c2nc3ccc4ncccc4c3[nH]2)C1 587247628 VHZTWCNCTHUCMS-VHSXEESVSA-N 252.321 2.706 0 1 CFAF CC[C@]1(C)C[C@H]1c1nc2ccc(C(=O)OC)nc2[nH]1 586893871 ZAVDQXJIPKIPIA-RMLUDKJBSA-N 259.309 2.648 0 1 CFAF C[C@H](CCC(=O)O)Cc1nc2c(Cl)ccnc2[nH]1 587961858 ZRKUTVKJYQMPRM-SSDOTTSWSA-N 267.716 2.655 0 1 CFAF NC(=O)c1cccc2nc(-c3cc4cc(N)ccc4o3)[nH]c12 587252657 HUTLXOFRBSVVQV-UHFFFAOYSA-N 292.298 2.657 0 1 CFAF Nc1c(-c2nc3cccnc3[nH]2)cnc2c(F)cccc12 587176958 XFPLEXPEAFQXGG-UHFFFAOYSA-N 279.278 2.894 0 1 CFAF N=c1ccc(Cc2nc3ccc4ncccc4c3[nH]2)c[nH]1 587255133 ZEFKPYXTANIJQW-UHFFFAOYSA-N 275.315 2.509 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H](C)C1=O)O2 587404726 HCUPFZAANWGPPN-HWPZZCPQSA-N 273.332 2.670 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@H]1OC(C)C)O2 587402787 HSPXMRFWVSRGJH-GOEBONIOSA-N 275.348 2.869 0 1 CFAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cnncc2[nH]1 587929382 IJEVRFVWRNYQHB-BDJLRTHQSA-N 280.331 2.807 0 1 CFAF COc1cc(-c2cc([C@@H]3C[C@H]4CC[C@H]3N4)cnc2F)ccn1 1772597876 DVKGEUMVNRWJTP-VNHYZAJKSA-N 299.349 2.899 0 1 CFAF CC(C)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 13473140 UXCIDQWZTDUWCG-UHFFFAOYSA-N 294.354 2.890 0 1 CFAF CC(C)c1ccccc1-n1c(=O)[nH]c2cccnc21 169316502 QLPUSVQLWNXQGL-UHFFFAOYSA-N 253.305 2.837 0 1 CFAF CC(C)Cc1ccc(-n2c(=O)[nH]c3cccnc32)cc1 169320930 CUGRRYASKOINNO-UHFFFAOYSA-N 267.332 2.912 0 1 CFAF c1ccc(Nc2cc3[nH]c(-c4ncccn4)nc3cn2)nc1 1857753200 MYNPSHIYMCXHQG-UHFFFAOYSA-N 289.302 2.554 0 1 CFAF CCN(CC)c1ncnc2cc(-c3ccccc3)nn12 26500220 RMAWJDBYWICRFZ-UHFFFAOYSA-N 267.336 2.638 0 1 CFAF O=C(NCc1ccccc1)C1C[C@@H]2CCC[C@@H](C1)C2=O 1051567 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CBHRCPWUFHWWCG-JTQLQIEISA-N 281.315 2.847 0 1 CFAF NC(=O)c1cccc2nc(/C=C/c3ccsc3)[nH]c12 587025431 KUYSHPGGFRWBPO-SNAWJCMRSA-N 269.329 2.894 0 1 CFAF Clc1cc2nc([C@H]3CCOC3)[nH]c2c(Cl)n1 586912522 VEMWZKDTOCRIQW-YFKPBYRVSA-N 258.108 2.769 0 1 CFAF COc1ccccc1Cc1coc2cc(O)cc(O)c2c1=O 1772584884 XSTWUETZWWKADA-UHFFFAOYSA-N 298.294 2.804 0 1 CFAF c1cncc([C@H]2CCCN2c2ccnc3[nH]ncc23)c1 1772577555 GXLJUNHCTWSKFY-CYBMUJFWSA-N 265.320 2.694 0 1 CFAF CCN(Cc1cccn1C)C(=O)COc1ccc(C)cc1 1772583545 VLUAAZLMRURAOY-UHFFFAOYSA-N 286.375 2.761 0 1 CFAF O=C1CS[C@@H](c2ccco2)c2cc3c(cc2N1)OCO3 1772642074 QAYOYPDZCFXUHW-CQSZACIVSA-N 289.312 2.783 0 1 CFAF Cc1sc(C)c2[nH]c([S@](=O)Cc3ccccn3)nc12 13448845 FBIPPBCKKOXCIG-IBGZPJMESA-N 291.401 2.944 0 1 CFAF NC(=O)c1cccc2[nH]c(-c3cccc(Cl)c3)nc12 13834558 NUYFNUBBSVEPHE-UHFFFAOYSA-N 271.707 2.982 0 1 CFAF COc1cc(OC)c2ccc(=O)oc2c1/C=C/C(C)(C)O 15257800 ADODTNKKUQGPNW-BQYQJAHWSA-N 290.315 2.594 0 1 CFAF biogenic,in-vitro CC(C)N(C)c1nc(-c2ccncc2)nc2cnccc12 1857603503 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Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc(C)nc1C)O2 587393512 IHQPLHZGEISXNL-KRWDZBQOSA-N 297.358 2.865 0 1 CFAF Cc1cccc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c12 587250700 XHSNBWLSLREQEM-UHFFFAOYSA-N 281.315 2.743 0 1 CFAF CNc1c(F)cccc1-c1nc2cc(N)c(N)cc2[nH]1 587135441 APAUSYVOPNZDGK-UHFFFAOYSA-N 271.299 2.575 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H](O)C(C)(C)C1)O2 587404130 NUZHNHKHGCUGQQ-PBHICJAKSA-N 289.375 2.852 0 1 CFAF CCCC[C@]1(CC(C)=O)NCCc2nc3ccccn3c21 962992000 WKTKWHUHJXRLOM-QGZVFWFLSA-N 285.391 2.845 0 1 CFAF CCN1c2ncc(C)cc2C(=O)N(C)c2cccnc21 5842211 OHOHLQOSPDRJAV-UHFFFAOYSA-N 268.320 2.533 0 1 CFAF COc1c(O)c2c3c(c1OC)-c1ccccc1C[C@H]3NCC2 5998676 AOGVVFDNSYRXJL-CYBMUJFWSA-N 297.354 2.819 0 1 CFAF CSCC(COC(C)=O)(CSC)c1ccncc1 13214564 SMPSOPQVBDKMKQ-UHFFFAOYSA-N 285.434 2.609 0 1 CFAF CC(C)[C@@H]1CC[C@](O)(CO)C=C1Cc1ccoc1 14638717 NDXPWPOEIUMIOS-LSDHHAIUSA-N 250.338 2.538 0 1 CFAF C[C@@H]1CCCc2c(-c3ccc(O)cc3)nc(=N)[nH]c21 1857604447 FFOQSPWUHUXUCT-SECBINFHSA-N 255.321 2.702 0 1 CFAF Cc1cc(F)ccc1S(=O)(=O)NC[C@H]1C[C@@H]2CC[C@H]1C2 235360 RFRGJYWVOFZOFJ-FRRDWIJNSA-N 297.395 2.849 0 1 CFAF O=c1cc(-c2ccccc2)nc2n1Cc1ccccc1-2 533317 QGYKUCMSHKXQNQ-UHFFFAOYSA-N 260.296 2.939 0 3 CFAF CCS(=O)(=O)c1ccc2oc(-c3ccco3)nc2c1 59098049 RUAUIHYYSIWLIC-UHFFFAOYSA-N 277.301 2.881 0 1 CFAF Cc1cccc(N2C(=O)[C@H]3[C@@H](C)C=CC[C@H]3C2=O)c1 104651630 HLDZTPNEVSSEBN-YUTCNCBUSA-N 255.317 2.697 0 1 CFAF Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(N)=O)cc1 64499452 QHGVFYOJPWFMKU-UHFFFAOYSA-N 288.734 3.000 0 1 CFAF CC[C@H](O)C[C@@H]1CC=C[C@H](C[C@@H](CC)OC)N1C 2356756515 KHRQOARMKNDSNW-LJISPDSOSA-N 255.402 2.591 0 1 CFAF O=C(O)[C@H]1CCN(c2c(Cl)cccc2Cl)C1 1911583321 AOXHVTUDEUTZHY-ZETCQYMHSA-N 260.120 2.904 0 1 CFAF CC[C@@H](C)c1nc2nc(N(C)C(C)C)ccc2[nH]c1=O 82231430 SHJJNQRJOYEBLP-SNVBAGLBSA-N 274.368 2.676 0 1 CFAF O=C1Nc2ccccc2/C1=C1\C(=O)Nc2cc(F)ccc21 40917705 OZQLRKUKJSBRCS-BUHFOSPRSA-N 280.258 2.641 0 1 CFAF COc1cccc(Nc2nc(SC)nc3[nH]cnc23)c1 40940307 YVHDDWASLJQYFN-UHFFFAOYSA-N 287.348 2.827 0 1 CFAF NC[C@H](C(=O)Nc1ccc2cnccc2c1)c1ccccc1 140899750 GRFHEJWFORZSDZ-KRWDZBQOSA-N 291.354 2.916 0 1 CFAF CNC(=O)OCC[C@@H](C)N(C)CCCc1ccccc1 473089703 SOYHHVDLCFHOGD-CQSZACIVSA-N 278.396 2.686 0 1 CFAF Cc1ccc(-c2cc3nc(N)nc(O)c3s2)cc1 299863662 PMXKSTQVJQHGCA-UHFFFAOYSA-N 257.318 2.955 0 1 CFAF CC[C@H](O)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 586900803 MYIDJNFDBUQKNR-HNNXBMFYSA-N 282.347 2.838 0 1 CFAF COc1c(C)cc(O)n1-c1cccc(Br)c1N 587937831 ZASLCRUSHOBKRE-UHFFFAOYSA-N 297.152 2.845 0 1 CFAF O=C1CCC[C@@H](c2nc3cc4c(cc3[nH]2)OCC(=O)N4)CC1 586883590 CKHHOCUDBMUKFI-SECBINFHSA-N 299.330 2.511 0 1 CFAF Cc1cc2[nH]c(CSC(C)(C)C(=O)O)nc2c(C)n1 586959987 UPEVHIWMVMXUJD-UHFFFAOYSA-N 279.365 2.671 0 1 CFAF Oc1c(Br)ccc2nc([C@H]3CCOC3)[nH]c12 586911680 KXCPNZRPXMFROB-LURJTMIESA-N 283.125 2.535 0 1 CFAF Cc1cc2nc(C[S@](=O)CC3CC3)[nH]c2cc1F 586959282 MSFDBOITAAVAND-GOSISDBHSA-N 266.341 2.669 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(C=O)c1O)O2 587405295 VNVHMNRMEKXXDF-HNNXBMFYSA-N 297.310 2.802 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1cccnc1)[C@@H](C2)C3=O 587435596 HHCRAOMGZVKSHX-SUMWQHHRSA-N 281.311 2.753 0 1 CFAF CC(C)c1nn(C)c2c1[C@@H](c1ccccc1C=O)NCC2 962915659 ARTZJMHUDMAXRU-QGZVFWFLSA-N 283.375 2.591 0 1 CFAF C[C@@H]1CC[C@@]2(C1)NCCc1ccc(C(=O)N(C)C)cc12 962932533 QQGKRLQFBINTMK-PXAZEXFGSA-N 272.392 2.549 0 1 CFAF O=C(O)c1cccc2c1CCN[C@H]2CCC1CCOCC1 963156295 ZKONJLKILFEBSJ-INIZCTEOSA-N 289.375 2.778 0 1 CFAF COc1ccc2[nH]c(-c3ccccn3)cc(=O)c2c1 5503271 BXJVCIMXOZDEFT-UHFFFAOYSA-N 252.273 2.599 0 1 CFAF O[C@@H]1C[C@@H]2CCCN(CCc3c1[nH]c1ccccc31)C2 5922545 RKGINSSVMLCQKI-BLLLJJGKSA-N 270.376 2.860 0 1 CFAF CN(C)CCSc1nccc(-c2cccs2)n1 5957952 CIALFTQGEPVUMB-UHFFFAOYSA-N 265.407 2.859 0 1 CFAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@H]3CC(=O)OC[C@@H]3C=C[C@@H]12 13307750 QZDLOWBWMWAWPV-KSMPYDNASA-N 278.348 2.633 0 1 CFAF Cc1cc(=O)c2c(O)cc3c(c2o1)C=CC(C)(C)O3 13311224 YQAACNBUDADMIV-UHFFFAOYSA-N 258.273 2.991 0 1 CFAF Cc1cc(C)[n+](-c2cc[nH]n2)c(-c2ccccc2)c1 13472096 UGEKKBVBKVFOBJ-UHFFFAOYSA-N 250.325 2.970 0 1 CFAF CCCCN1CC[C@H]2c3c(cccc3C(N)=O)CC[C@H]21 13740516 HSPQOFOFQPRHNO-UKRRQHHQSA-N 272.392 2.690 0 1 CFAF COc1ccc([C@H](CN)c2ccccc2)cc1OC 19674994 XSISDRAMELXUIY-CQSZACIVSA-N 257.333 2.794 0 1 CFAF CN(C)CCS[C@H](N=O)C(=O)c1ccc(Cl)cc1 169713397 HVZLJKCXGULFGO-LBPRGKRZSA-N 286.784 2.910 0 1 CFAF Fc1ncccc1CN[C@@H]1[C@H]2Cc3ccccc3[C@H]21 1857536265 DNMIAIGQEGAQII-RRFJBIMHSA-N 254.308 2.649 0 1 CFAF CCOc1ccccc1Nc1cc(C)nc2nc(C)nn12 4822633 QLEZYEMRLQOOQG-UHFFFAOYSA-N 283.335 2.883 0 3 CFAF CC1=C[C@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@@H]2[C@@H](C)CN3C 2356426270 SPLMGOUKRILOLN-NQERCMRGSA-N 270.376 2.703 0 1 CFAF C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@H](O)[C@H]3[C@@H]1CC[C@@H]2O 6067744 CQPNIWHVQNCXHA-CJNLHWCBSA-N 288.387 2.580 0 1 CFAF CCc1nnc2sc(-c3c[nH]nc3-c3ccccc3)nn12 103174965 PUUFFQCKNJRUFU-UHFFFAOYSA-N 296.359 2.805 0 1 CFAF Cc1ccc(-n2c(=O)c3c(c4cccnc42)OCC3)cc1 28761936 VDBMDBLLZGDFTG-UHFFFAOYSA-N 278.311 2.629 0 1 CFAF CC(C=CC=C(C)[C@@H](O)[C@H](C)C(=O)O)=Cc1coc(C)n1 2356672646 RVJCGWFQEPVLGJ-SWLSCSKDSA-N 291.347 2.970 0 1 CFAF Nc1nc(-c2ccco2)c2ncn(-c3ccccc3)c2n1 28524556 VEZSQJIGMFDZRT-UHFFFAOYSA-N 277.287 2.658 0 1 CFAF in-vivo NC(=O)c1cc(-c2ccncc2)[nH]c1-c1cccc(F)c1 64528506 DRQCVBMQNBRROV-UHFFFAOYSA-N 281.290 2.982 0 1 CFAF COc1cccc2c1CCC[C@@H]2NC(=O)c1conc1C 34441573 DGPBBPXGXHDOBA-AWEZNQCLSA-N 286.331 2.799 0 1 CFAF CCOc1ccccc1-c1nc(CN(C)CCOC)co1 72182149 JCDSNTJBVOKSRZ-UHFFFAOYSA-N 290.363 2.819 0 1 CFAF O=c1c2cccnc2sn1-c1ccc(F)c(F)c1 72175510 MVKCSWCALAKZBE-UHFFFAOYSA-N 264.256 2.725 0 1 CFAF NC(=O)N1CCCc2cc(-c3cnccc3Cl)cnc21 221446960 CXDHUJKGIYLRAA-UHFFFAOYSA-N 288.738 2.628 0 1 CFAF O[C@H](CSc1ccncc1)C[C@H](O)c1ccccc1 95784938 KGDZVDIVSRDKMM-ZFWWWQNUSA-N 275.373 2.658 0 1 CFAF C[C@@H]1CN(CC(C)(C)N2CCCCC2)CC[C@@]1(O)C1CC1 91914507 MOCIXZYMDYBDDQ-QAPCUYQASA-N 294.483 2.734 0 1 CFAF c1cc(-c2ccc3c(c2)CCCC3)n2ncnc2n1 299838979 PDRNEANFZJPWJG-UHFFFAOYSA-N 250.305 2.670 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1=COCCC1)O2 587411893 LNZXOSMNOYABBP-AWEZNQCLSA-N 259.305 2.605 0 1 CFAF FC(F)(F)c1cc2nc(C3=COCC3)[nH]c2cn1 586913186 OBJWWUQKRVJIMS-UHFFFAOYSA-N 255.199 2.738 0 1 CFAF COc1cncc2nc(C3(c4ccc(O)cc4)CC3)[nH]c12 586899441 WZTVIDFKJXOAKM-UHFFFAOYSA-N 281.315 2.752 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(C[C@H]1CCOC1)[C@@H](C2)C3=O 587454545 UHGNEQXSWYNJDC-ANTHHZPCSA-N 288.343 2.628 0 1 CFAF COC(=O)c1ccnc2nc(-c3ccc(CN=O)cc3)[nH]c12 587190014 IJNVWVRTRRQJIG-UHFFFAOYSA-N 296.286 2.678 0 1 CFAF Cc1ccc([C@@H]2CCc3cc4c(O)nc(O)nc4nc32)cc1 587561244 GIWVMLYPTHJVGG-LBPRGKRZSA-N 293.326 2.823 0 1 CFAF Cc1ccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2n1 587161788 DGIOWLCSYMZNNU-UHFFFAOYSA-N 298.321 2.977 0 1 CFAF C[C@@H](F)[C@H](N)c1nc2cc(Cl)c(Cl)nc2[nH]1 587126070 VOEXAODBZAKMLE-CVYQJGLWSA-N 263.103 2.623 0 1 CFAF Cc1nc(C2CC2)sc1-c1nc2ccc(C(N)=O)cc2[nH]1 587011456 HAJQZAIWCXMPPO-UHFFFAOYSA-N 298.371 2.971 0 1 CFAF CCC[C@]1(C(=O)OCC)NCCc2cc(C)c(F)cc21 962296339 GAXHKAGTCNBEPH-INIZCTEOSA-N 279.355 2.838 0 1 CFAF CN(C)C(=O)Cc1c(-c2ccccc2)nc2ccc(F)cn12 1772642944 PSFPPMYUCXFBAF-UHFFFAOYSA-N 297.333 2.771 0 1 CFAF COc1ccc2sc(C(=O)NCc3ncc[nH]3)cc2c1 1772637410 UCUQSEVKQBTWKW-UHFFFAOYSA-N 287.344 2.563 0 1 CFAF CC(=O)Oc1c(C)c2c(c3ncccc13)O[C@H](C)C2 5581308 WPNQXAYWWOHDQA-MRVPVSSYSA-N 257.289 2.792 0 1 CFAF Cn1nccc1-c1ccc2nnn(-c3cccc(O)c3)c2c1 1857535497 BXEKXFHKCROTOF-UHFFFAOYSA-N 291.314 2.527 0 1 CFAF COc1ccc2ccc3c(c2n1)[C@H](CCNC(C)=O)CC3 1857651407 YEHQYUUTSGBBFW-ZDUSSCGKSA-N 284.359 2.799 0 1 CFAF CN1CCc2cc(NC(=O)Nc3cccnc3)ccc21 7997415 AVGWYMLCNKIXFE-UHFFFAOYSA-N 268.320 2.718 0 1 CFAF NC[C@H]1C[C@@]1(C(=O)Nc1ccccc1)c1ccccc1 29127671 CBSPAZYMJJLPIY-RHSMWYFYSA-N 266.344 2.542 0 1 CFAF CNC[C@@H](O)c1ccc(O)c2c1CCCC(C)(C)C2 2356649185 CDLAQDQIKXFCDF-OAHLLOKOSA-N 263.381 2.550 0 1 CFAF O=Cc1cn(-c2ccc(O)cc2)nc1-c1cccc(O)c1 49938552 AGXXFYFBPZYJLE-UHFFFAOYSA-N 280.283 2.763 0 1 CFAF OCCCc1cncn1Cc1ccc(Br)cc1 45355539 HNOJMJNDVRPLSW-UHFFFAOYSA-N 295.180 2.619 0 1 CFAF in-vivo CCN(CC)c1nc(C)nc2[nH]c3ccc(O)cc3c12 221387450 HNGYEPZFJDHBDL-UHFFFAOYSA-N 270.336 2.971 0 1 CFAF CC1(C)[C@@H]2CC[C@@](C)(CO)[C@@H]3CC[C@](C)(O)[C@H]3[C@@H]21 238751494 QRNCFBFFFBWNIU-PKJRCAFQSA-N 252.398 2.828 0 1 CFAF C[C@H](O)C[C@@H]1CCC[C@@H](C[C@H](O)c2ccccc2)N1C 238760704 VYSOSWOCGBPIDU-HJWJTTGWSA-N 277.408 2.734 0 1 CFAF Brc1ccc2c(c1)C1=NCCCN1S2 299860770 HBDCAYFEWKVQGG-UHFFFAOYSA-N 269.167 2.922 0 1 CFAF CCn1c(NC2CCCC2)nc2ccsc2c1=O 299824907 FAIGGAVXXQBABU-UHFFFAOYSA-N 263.366 2.832 0 1 CFAF Cn1cc(-c2nc3cc(N)c(N)cc3[nH]2)c(C(F)(F)F)c1 587113685 WWFPYTSPRFAZBT-UHFFFAOYSA-N 295.268 2.752 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cncc(F)c1)O2 587385242 BBAVWIDXISMFFZ-INIZCTEOSA-N 286.306 2.992 0 1 CFAF O[C@@H](c1nc2cccc(Cl)c2[nH]1)C1CCOCC1 586914235 XWRADVQZQRIKBL-GFCCVEGCSA-N 266.728 2.676 0 1 CFAF Nc1cccc(O)c1-c1nc2ccnc(Cl)c2[nH]1 587250834 SJYWZOIUEZFTSL-UHFFFAOYSA-N 260.684 2.566 0 1 CFAF Cc1nccc2[nH]c(-c3cc(C(F)(F)F)nn3C)nc12 587119091 XHHXMXYOPLTEQB-UHFFFAOYSA-N 281.241 2.686 0 1 CFAF COc1cc2nc(-c3c(N)cccc3C(=O)O)[nH]c2cc1C 587248810 XBQMUUDTIMXTTG-UHFFFAOYSA-N 297.314 2.827 0 1 CFAF Oc1nc(O)c2ccc(C=C3CCCCC3)nc2n1 587561344 OGTAUZASZFIEKD-UHFFFAOYSA-N 257.293 2.784 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ncsc1C)[C@@H](C2)C3=O 587449474 ASGVXCWSCPMIAR-BONVTDFDSA-N 287.340 2.949 0 1 CFAF Oc1c(-c2nc3cncnc3[nH]2)ccc2c1CCCC2 586897640 HMKORDJIYZJZTL-UHFFFAOYSA-N 266.304 2.604 0 1 CFAF CCOC(=O)c1ccc2nc([C@H]3CC[C@@H](O)CC3)[nH]c2c1 586897811 FERVTVFGWCSCPI-KLPPZKSPSA-N 288.347 2.758 0 1 CFAF Cc1cc2c(cc1F)[C@@]1(C=C[C@H]3OC(C)(C)O[C@H]31)NCC2 962094780 SIAGBFXSRCOOAY-BFYDXBDKSA-N 289.350 2.565 0 1 CFAF COc1ccc(S(=O)(=O)/C=C/c2ncccc2F)cc1 1857560001 ZCTGMROOKLCRGN-CSKARUKUSA-N 293.319 2.674 0 1 CFAF COc1ccc2c(=O)c(O)c(-c3ccco3)oc2c1 1857565608 QMNCYTHGYYCINT-UHFFFAOYSA-N 258.229 2.767 0 1 CFAF COc1ccc2ncc(-c3ccc4[nH]ccc4c3)n2n1 1772607397 HTNKXRHQVGPWRO-UHFFFAOYSA-N 264.288 2.886 0 1 CFAF Cc1ccc([C@H](C)CC[C@@H](O)C(C)(C)O)cc1O 13377559 OBNVTTHRWSUAMB-QMTHXVAHSA-N 252.354 2.716 0 1 CFAF biogenic CCCC[C@H](CC)CNC(=O)[C@@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 169694002 LDANTJAENASOOT-VQJWOFKYSA-N 293.407 2.842 0 1 CFAF CC[C@@H](C)[C@@H](O)[C@H]1OC(=O)c2c(O)c(C)cc(C)c21 205955843 LQLDCUDXLOCUIK-FNSHAYQCSA-N 264.321 2.628 0 1 CFAF Nc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1 13560829 NYFMLKFVNPVUMD-UHFFFAOYSA-N 261.712 2.757 0 1 CFAF CC(=O)Oc1ccccc1SCCCCCO 13782103 PFUABRBCBHRVAU-UHFFFAOYSA-N 254.351 2.867 0 1 CFAF O=C(O)c1cccc2c1CCc1ccccc1C2=O 39242000 OXEHRVBSZCSOGJ-UHFFFAOYSA-N 252.269 2.714 0 1 CFAF c1cc(-c2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)co1 1489336 JIZUYTTWXWPPBM-KRWDZBQOSA-N 282.343 2.741 0 1 CFAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CCC[C@@]3(C)[C@@]4(C)[C@]21O 2356362774 HLBDFWVKKWDTCV-PYUNUYJDSA-N 264.365 2.650 0 1 CFAF C[C@H](NC(=O)O[C@H]1[C@H]2C=C[C@@H](O)[C@H]1CC2)c1ccccc1 102940107 NYTSBEZBDJWGFP-LNNMMNKASA-N 287.359 2.799 0 1 CFAF O=Cc1onc2c1CCO[C@@H]2c1ccc(Cl)cc1 103188433 SJJOUCYSIFBEMK-CYBMUJFWSA-N 263.680 2.803 0 1 CFAF CCCN(CCC)[C@H]1Cc2ccc(C(=O)O)c(O)c2C1 26168542 CNMUKNJASBEWKD-LBPRGKRZSA-N 277.364 2.680 0 1 CFAF CC(C(=O)O)=C1CC(C)(C)C[C@@H]2[C@H]1CC[C@@]2(C)O 2356486817 FMPSNIUPCNLEGV-JVLSTEMRSA-N 252.354 2.985 0 1 CFAF C[C@H]1CN([C@@H]2CCCC[C@@H]2O)CCN1c1ccccc1 28238000 IKPMULIIVRGEMT-UAGQMJEPSA-N 274.408 2.501 0 1 CFAF O=C(NCCC1=CCCCC1)OCCCc1c[nH]cn1 71294883 FKVQQOFSVFYLRS-UHFFFAOYSA-N 277.368 2.959 0 1 CFAF O[C@H]1/C(=C/c2ccccc2)CCC[C@H]1CN1CCOCC1 40939117 FLFFSFQQKWCSLH-DXKZAIORSA-N 287.403 2.563 0 1 CFAF COC[C@H](C)Nc1cc(-c2ccccc2F)ncn1 82162456 QXCMHWZLRJMWIW-JTQLQIEISA-N 261.300 2.730 0 1 CFAF C/C1=C\CC[C@@H](C)C(=O)C[C@H]2[C@H](C1)OC(=O)[C@@H]2C 238741189 YBYPSUAEZKMISR-IEUOPRFFSA-N 250.338 2.890 0 1 CFAF C/C1=C\[C@H](O)C[C@H](C)C(=O)C[C@@H](C(C)C)C(=O)C1 238771993 WLHCFOUGUVMPPJ-JOSBEWLDSA-N 252.354 2.524 0 1 CFAF CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccccc1OC 621473908 WCULOWSYXLDLOZ-NPRUJURCSA-N 292.360 2.501 0 1 CFAF COc1ccc2c(=O)c(Cc3cccnc3)coc2c1 653704626 REPSNXJVRDVPOD-UHFFFAOYSA-N 267.284 2.787 0 1 CFAF Oc1nc(-c2nc3ccc(F)c(F)c3[nH]2)cs1 587018388 YGVCQCKVSRVPTH-UHFFFAOYSA-N 253.233 2.670 0 1 CFAF COc1ccc2nc(-c3cc(F)cc(F)c3O)[nH]c2n1 587134385 QQRCVCNOGKVXIZ-UHFFFAOYSA-N 277.230 2.617 0 1 CFAF Clc1ccccc1CCc1nc2cncnc2[nH]1 587059618 ULSSXRDIYUGUMM-UHFFFAOYSA-N 258.712 2.792 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)CC[C@H]3c1ccccc1 587561722 KCULWWWJPBICTP-JTQLQIEISA-N 279.299 2.514 0 1 CFAF COc1cc2c3c(c1)O[C@H](CCCC(C)=O)[C@@H](C2)C3=O 587444743 GQDZEWVKCPWVEV-CHWSQXEVSA-N 274.316 2.571 0 1 CFAF COc1cccc(C)c1-c1nc2cnc(Cl)[nH]c-2n1 587787456 TWNUOPMQKTUFOB-UHFFFAOYSA-N 274.711 2.942 0 1 CFAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(F)cc2[nH]1 587093483 FIYHAPHEVMNWRY-ZCFIWIBFSA-N 289.232 2.832 0 1 CFAF CCOC(=O)Cc1nc2cc(Cl)c(F)c(F)c2[nH]1 587777410 LLEMSBCVQDQLAT-UHFFFAOYSA-N 274.654 2.600 0 1 CFAF COc1ccccc1S(=O)(=O)/C=C/c1ccccn1 205696250 LYVCCFSDVIHVOD-PKNBQFBNSA-N 275.329 2.535 0 1 CFAF COC(=O)C[C@H]1[C@@H](Cc2ccccc2)C[C@@H]2CC[C@@H]1N2C 169295601 ANHMPRQCQIOCSZ-QAETUUGQSA-N 287.403 2.891 0 1 CFAF O=C1NCC2=Nc3ccccc3N[C@@H](c3ccccc3)[C@H]12 169691747 KCLKPPOQKQRKOU-CVEARBPZSA-N 277.327 2.672 0 1 CFAF CNc1nc(-c2c(C)noc2C)nc2ccccc12 4265159 CMHQQCUXPLMIIQ-UHFFFAOYSA-N 254.293 2.943 0 1 CFAF Cc1cc(O)cc(C)c1C=Cc1cncc(-c2nn[nH]n2)c1 1857742041 ILTYMFZEBAKYFU-UHFFFAOYSA-N 293.330 2.755 0 1 CFAF COC(=O)[C@@H]1CCC(=O)[C@@H](Sc2ccccc2)C1 1622541 BMCGYPHJLBAOLQ-MFKMUULPSA-N 264.346 2.690 0 1 CFAF CCNC(=O)c1ccc2c(c1)nc1n2CCCCC1 8611720 ZMBBSWIXQGKADT-UHFFFAOYSA-N 257.337 2.512 0 1 CFAF Cc1ccc2c(c1)C(=O)c1ccccc1C[S@]2=O 8684361 HHZVLJSJXRQZPC-SFHVURJKSA-N 256.326 2.847 0 3 CFAF CC(=O)c1c(O)c(C)nc(Cc2ccccc2)c1C(=O)O 103241304 RVQGFISZZZDMCD-UHFFFAOYSA-N 285.299 2.587 0 1 CFAF CCCCc1ccc(S(=O)(=O)Nc2nncs2)cc1 66073901 OTPUUDOLWVWUGE-UHFFFAOYSA-N 297.405 2.682 0 1 CFAF COc1ccccc1NC(=O)OC1C[C@H]2CC[C@H](C1)N2C 102215541 YENAWCCCPDCCBY-VXGBXAGGSA-N 290.363 2.869 0 1 CFAF c1csc(-c2ncnc3c2ncn3C2CCOCC2)c1 28771901 GXWIZMLANXITCY-UHFFFAOYSA-N 286.360 2.906 0 1 CFAF Cc1cccc(CNc2ncnc3c(C(N)=O)cccc23)c1 114345692 NHUICIYKHRDWEK-UHFFFAOYSA-N 292.342 2.649 0 1 CFAF CO[C@]12C[C@]3(C)CCC[C@](C)(O)[C@H]3CC1=C(C)C(=O)O2 2356694724 DWKVFTSXSNTDJB-TUUVXOQKSA-N 280.364 2.554 0 1 CFAF CC(C)(C)OC(=O)n1cccc1-c1cc(Cl)nc(N)n1 71341320 XCRQTJLPSHDTHM-UHFFFAOYSA-N 294.742 2.964 0 1 CFAF CC1=C[C@@H]2[C@@H]([C@@H](C)CO)CC=C(C(=O)O)[C@@H]2CC1 49525695 XBUHBZLIZBPSET-KZVDOYCCSA-N 250.338 2.618 0 1 CFAF CCC[C@@H](C)Nc1nc(N2C[C@H](C)O[C@H](C)C2)ncc1C 82203129 LXXSBFNXCICVHQ-MCIONIFRSA-N 292.427 2.999 0 1 CFAF Fc1ccc(CN(Cc2nn[nH]n2)c2ccccc2)cc1 473119352 ATMVVIPRRDZXPT-UHFFFAOYSA-N 283.310 2.546 0 1 CFAF COc1nccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c12 587174318 OELSVLKEQIECHQ-LBPRGKRZSA-N 285.278 2.782 0 1 CFAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(CO)cc3[nH]1)C2 586885659 NHWBSAKIPZZRCB-AVGNSLFASA-N 282.343 2.694 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nccs1)O2 587413534 PDBSJODMCHNPDQ-AWEZNQCLSA-N 274.345 2.914 0 1 CFAF N=c1[nH]cc(-c2c[nH]c3ccc(Br)cc23)[nH]1 1857538243 GJMWPARNOJWCOO-UHFFFAOYSA-N 277.125 2.733 0 1 CFAF O=C(c1c(O)cccc1O)c1c[nH]c2ccc(O)cc12 1857574333 JYFQTTROSLCIOY-UHFFFAOYSA-N 269.256 2.516 0 1 CFAF c1cc2c(cc1-c1noc3c1CN(C1CCC1)CC3)OCO2 12571164 SQVQWNNZVAIBID-UHFFFAOYSA-N 298.342 2.981 0 1 CFAF COc1cc2c(cc1O)C[C@@H](Cc1ccc(O)cc1)CO2 14810991 FLRPAVYKQSVYEK-GFCCVEGCSA-N 286.327 2.900 0 1 CFAF Nc1nc2ccc(O)nc2n1-c1cccc(F)c1Cl 118263717 HPTVAYUYTIALTF-UHFFFAOYSA-N 278.674 2.501 0 1 CFAF Oc1ccc2c(c1)CCN1CCc3ccccc3[C@@H]21 34633220 WKDIBUGWHRYVFS-KRWDZBQOSA-N 251.329 2.896 0 1 CFAF C=C1C=C(C)n2ncc(C(=O)Nc3ccc(C)cn3)c2N1 102914493 JGMFTAOWKMQNDT-UHFFFAOYSA-N 281.319 2.639 0 1 CFAF CCc1cc(OC)nc2nc(C(=O)c3ccccc3)cn12 28229693 FDBLCHKVSKIIKI-UHFFFAOYSA-N 281.315 2.531 0 1 CFAF COC(=O)CC=C(C)C1=C(C)CC[C@@H]2[C@H](C)C(=O)O[C@H]12 2356474626 YVXVQMWUXKMTIT-ZOWXZIJZSA-N 278.348 2.784 0 1 CFAF CC(=O)Oc1ccc2c3c([nH]c2c1)[C@H](C)N(C(C)=O)CC3 2356666053 IOVKATFAGHZEJV-VIFPVBQESA-N 286.331 2.559 0 1 CFAF Cn1c(=O)c(Cc2ccccc2)nc2ccccc21 27705931 JMZGERVNOWNQEV-UHFFFAOYSA-N 250.301 2.524 0 1 CFAF CCOc1ccccc1OC[C@H]1CN(C(C)C)CCO1 38893088 YIUUQQVMBNHWQV-CQSZACIVSA-N 279.380 2.573 0 1 CFAF in-vivo COc1cc(NCC[C@H](C)N)c2nccc(C)c2c1OC 84689608 YQBVLUHZIZEFMW-NSHDSACASA-N 289.379 2.710 0 1 CFAF Nc1nc(N)c2cccc(Oc3ccccc3)c2n1 84706889 UUIUQJUWDUUIJV-UHFFFAOYSA-N 252.277 2.587 0 1 CFAF CO[C@@H]1CCCc2nc(Nc3ncccn3)sc21 1857766419 ZHNVWCLEAPDNCW-SECBINFHSA-N 262.338 2.701 0 1 CFAF O=C1C=C(NC(=O)c2c(Cl)cccc2Cl)CC=N1 95920666 HKIJJBMBTHKEPC-UHFFFAOYSA-N 283.114 2.608 0 1 CFAF in-vitro Cc1cc2ccnc(NC3CCN(C4CC4)CC3)c2nc1O 473133737 CRDRCMKBNWIBOT-UHFFFAOYSA-N 298.390 2.683 0 1 CFAF COc1cc2c(cc1OC)[C@H]1[C@H](CCCN1C(C)=O)C2 299829359 JLHICCFTKKWGMM-BDJLRTHQSA-N 275.348 2.560 0 1 CFAF COc1ccc2c(=O)cc(Cc3ccncc3)oc2c1 653719883 FXOYDDAWDCXMJL-UHFFFAOYSA-N 267.284 2.787 0 1 CFAF CC(C)(SCc1nc2cncc(Cl)c2[nH]1)C(=O)O 586958831 JJSSZFHHBNDJHM-UHFFFAOYSA-N 285.756 2.708 0 1 CFAF Cc1cc2nc(-c3nc(Cl)cnc3N)[nH]c2cc1C 587086829 MUVXHDULPZIOII-UHFFFAOYSA-N 273.727 2.872 0 1 CFAF O[C@@H](c1nc2ccc3ncccc3c2[nH]1)C1CCOCC1 586915838 IPVVRTIQUJKKQH-OAHLLOKOSA-N 283.331 2.571 0 1 CFAF Cc1ncc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cn1 587874157 VZQZIENAQZNRKO-UHFFFAOYSA-N 296.261 2.582 0 1 CFAF OCc1cccc(-c2nc3ccc(Cl)nc3[nH]2)c1 586894810 DNMCKBVYOVZOBV-UHFFFAOYSA-N 259.696 2.771 0 1 CFAF Oc1cccc(CCc2nc3cc(F)cnc3[nH]2)c1 586896664 HSCQMQDQOKVYKX-UHFFFAOYSA-N 257.268 2.588 0 1 CFAF Cc1c(F)ccc2nc(C[S@@](=O)CC3CC3)[nH]c12 586959600 ODCZQOACCOFIEU-SFHVURJKSA-N 266.341 2.669 0 1 CFAF CC[C@@H](C)NC(=O)C1=C(C)C(=O)OC12CCC(C)CC2 5058718 GQCQSKSVHJCCJF-NOEPWBJOSA-N 279.380 2.723 0 3 CFAF CCCCCNC1=NCCN1OCc1cccc(F)c1 13539078 PQKUWYUKVXFZEC-UHFFFAOYSA-N 279.359 2.709 0 1 CFAF CCCOC(=O)[C@@H]1CN(CC)CC=C1c1ccccc1 13782791 JVBYBBLRZZVCSO-MRXNPFEDSA-N 273.376 2.975 0 1 CFAF CCN1C(=O)N(C)[C@@H](c2ccccc2)C(C(=O)OC)=C1C 13816549 ASDBNIZMIJSXBD-AWEZNQCLSA-N 288.347 2.562 0 3 CFAF Cc1coc2c1[C@@H](O)[C@@]1(C)[C@H](CC[C@@H](O)[C@@H]1C)C2 15220390 JWKRZHJQYDUUNQ-BOVGIHKQSA-N 250.338 2.591 0 1 CFAF biogenic,in-vitro Cc1noc(C)c1-c1ccc2ncnc(N(C)C)c2c1 4239276 WRRMVHAYBRGADJ-UHFFFAOYSA-N 268.320 2.968 0 1 CFAF Cc1c(C)c2c(c(C)c1O)[C@H](C(=O)O)C(C)(C)O2 3798014 UBXXQJONERHQJF-SNVBAGLBSA-N 250.294 2.657 0 1 CFAF Oc1cc2c(cc1OCCc1ccccc1)OCC2 25974870 RKSJKYLXYSYQTG-UHFFFAOYSA-N 256.301 2.949 0 1 CFAF CC1=C[C@@H](C)[C@@H](C)N(CC2=NCCN2)c2ccccc21 1639320 JPTHAHKJDYSVKJ-TZMCWYRMSA-N 269.392 2.936 0 1 CFAF CN(C)CCC1(O)c2ccccc2CCc2ccccc21 2008701 XQHOARLJVOWKPC-UHFFFAOYSA-N 281.399 2.973 0 1 CFAF C[C@]1(O)CC[C@@H]2[C@H](C=C[C@@]3(C)OC(=O)CC[C@]23C)C1 2356334931 PVEDCQZJTQKQDQ-HUHANWACSA-N 264.365 2.826 0 1 CFAF COC(=O)[C@H]1[C@@H](c2ccc(C)c(F)c2)C[C@H]2CC[C@H]1N2 100949804 QDZIBQWKRRRXAL-GBOPCIDUSA-N 277.339 2.531 0 1 CFAF CCCn1ccnc1C[C@@H]1COc2ccccc2O1 27740050 JZVLEROUYCWKSZ-GFCCVEGCSA-N 258.321 2.676 0 1 CFAF C[C@H]1NC(C)(C)CO[C@@]1(O)c1ccc(Cl)c(Cl)c1 56861378 GRQDILLJMSLURW-AMIZOPFISA-N 290.190 2.925 0 1 CFAF Fc1ncc([C@H]2C[C@H]3CC[C@H]2N3)cc1-c1cccnc1 103249597 YNZDJAQJOUFZIH-UMVBOHGHSA-N 269.323 2.891 0 1 CFAF CN1CC=C(COC(=O)Nc2cccc(Cl)c2)C1 28760135 XIRZILQUNBWOOV-UHFFFAOYSA-N 266.728 2.760 0 1 CFAF COc1cc(/C=C(/O)c2ccc(F)cc2)nc(OC)n1 101083671 AICCTPXWMQLKLY-KPKJPENVSA-N 276.267 2.689 0 1 CFAF CCCCCn1ncc2c(N)c(C(=O)OCC)c(C)nc21 26576225 DWABNGDOYWYEMP-UHFFFAOYSA-N 290.367 2.689 0 1 CFAF Clc1ccc(CCc2noc(Cc3c[nH]cn3)n2)cc1 27902101 PXEKUBXPZNAYDT-UHFFFAOYSA-N 288.738 2.822 0 1 CFAF N=C(N)Nc1nnc(-c2c(Cl)cccc2Cl)s1 27997963 LSDAKTGOKVYYGS-UHFFFAOYSA-N 288.163 2.817 0 1 CFAF CC1=C2C[C@@H]3[C@](C)(O)CCC[C@]3(C)C[C@H]2OC1=O 2356480697 MRZXHHLSYHIZNO-AYRXBEOTSA-N 250.338 2.580 0 1 CFAF COc1c(C)c(O)cc2c1C=C[C@](O)(c1ccccc1)O2 2356511503 JIJDSBDOKOMHDZ-QGZVFWFLSA-N 284.311 2.960 0 1 CFAF O=C(COc1cnnc2ccccc12)Nc1ccc(F)cc1 20413424 SAYYUONEJOFXOX-UHFFFAOYSA-N 297.289 2.786 0 1 CFAF COc1cc(CC(=O)C(C)C)c2oc(=O)ccc2c1OC 33830835 HMZJJKMPHITCIE-UHFFFAOYSA-N 290.315 2.578 0 1 CFAF biogenic,in-vitro CSc1c(CC[C@@H](C)O)c(O)c(C)c(O)c1C(C)=O 4474 IDJZXHKJJASPKT-SSDOTTSWSA-N 284.377 2.644 0 1 CFAF biogenic CC(=O)OCC1=COC(=O)C2=C(C)CC[C@H]3[C@H]([C@@H]12)C3(C)C 85947334 YJKINWCUNDJLLA-AEGPPILISA-N 290.359 2.989 0 1 CFAF CO[C@H]1C=C(C)[C@](O)(CO)[C@@]2(C)CCCC(C)(C)[C@H]12 198662768 AZUJYVZGKJZCIK-DARAHFNDSA-N 268.397 2.517 0 1 CFAF c1cc(Nc2cc(C3CC3)[nH]n2)nc(NCC2CC2)n1 84635462 YKVKVDCVYMCZOW-UHFFFAOYSA-N 270.340 2.643 0 1 CFAF O=C1CNCC2(CC2)CN1c1ccc(Cl)c(Cl)c1 299841479 ZZSLOXVJDWNTCU-UHFFFAOYSA-N 285.174 2.710 0 1 CFAF OCc1ccc(F)c(-c2nc3ccnc(Cl)c3[nH]2)c1 587141064 WGKUUYXXWHHOPY-UHFFFAOYSA-N 277.686 2.910 0 1 CFAF CCOC(=O)[C@H](N=O)c1cc2c3c(cccc3n1)CC2 587212935 MXAISALKNIZVFM-CQSZACIVSA-N 270.288 2.704 0 1 CFAF O[C@@H](c1nc2c(Cl)ncnc2[nH]1)c1ccccc1Cl 587059467 QXWCYKAHABJSTF-SECBINFHSA-N 295.129 2.741 0 1 CFAF COc1ccc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c2n1 586881599 XNNHRTFKOCXHEU-TWGQIWQCSA-N 295.298 2.731 0 1 CFAF CCCNCc1c(C)cc(C2CCCCC2)n(O)c1=O 1857569234 BNTLLKPEEUMPCH-UHFFFAOYSA-N 278.396 2.941 0 1 CFAF COC(=O)CC=C1c2ccccc2C[C@@H](OC)[C@H]1C 1857622600 MTUFSMLKZVHUGN-XHDPSFHLSA-N 260.333 2.840 0 1 CFAF Cc1c(O)cc(O)c2c(=O)c(O)c(-c3ccccc3)oc12 14814941 SZEGGRGYVVQDCY-UHFFFAOYSA-N 284.267 2.885 0 1 CFAF CSC[C@@H]1C[C@@H]2c3cccc4[nH]nc(c34)C[C@@H]2N(C)C1 169328469 GRJIHXZSQOIHFF-HCKVZZMMSA-N 287.432 2.886 0 1 CFAF CC(=O)N1CCc2cc(-c3cncc(F)c3)ccc21 169348878 JMIFAUSTXBALDI-UHFFFAOYSA-N 256.280 2.797 0 1 CFAF CC(=O)Nc1ccc2c(c1)/C(=C/c1cccc(O)c1)C(=O)N2 1857589683 BVJZKQDBETZUEQ-NVNXTCNLSA-N 294.310 2.843 0 1 CFAF COC(=O)[C@H](Cc1ccc(O)cc1)c1ccc(O)cc1 13470353 MRDCWKGYSIIFDN-OAHLLOKOSA-N 272.300 2.597 0 1 CFAF C[C@H](O)c1ccc2[nH]cc(C3=CCN(C)CC3)c2c1 13731881 PSVDVBKNSYJLGX-NSHDSACASA-N 256.349 2.940 0 1 CFAF COc1ccc([C@@H]2NCCN[C@@H]2c2ccc(OC)cc2)cc1 26395097 WOAIXBHNEIRCBN-HDICACEKSA-N 298.386 2.679 0 1 CFAF CCCCOC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1 27555778 WDSGTSSHRHFHSZ-AWEZNQCLSA-N 272.348 2.526 0 1 CFAF CCCCOC(=O)CCc1ccc(O)c(OC)c1 2356329084 RWPSCURRFXEMQN-UHFFFAOYSA-N 252.310 2.677 0 1 CFAF O[C@@H]1c2cnccc2C[C@@H]2c3[nH]c4ccccc4c3CCN12 2356402431 GYDDEXWBTPFKBJ-SJLPKXTDSA-N 291.354 2.709 0 1 CFAF F[C@@H]1CN(CC2CC2)C[C@H]1OCc1nc2ccccc2[nH]1 2356300388 VGMHICYSTATLAY-IUODEOHRSA-N 289.354 2.512 0 1 CFAF CC[C@H]1CC(=O)C[C@@]23CCN(C)[C@@H](Cc4ccc(O)cc42)[C@H]13 29476286 SZIGYSMMOMTFKG-TUCQFJRYSA-N 299.414 2.896 0 1 CFAF COC(=O)/C=C/[C@@H]1[C@H](c2ccccc2)C[C@H]2CC[C@H]1N2C 100789845 OMLSVYSQLRWXNO-OYDXXIGRSA-N 285.387 2.982 0 1 CFAF CO[C@@H]1c2cc(Cl)ccc2OC[C@H]1n1ccnc1 27327138 WAODWMRDSOILLQ-DGCLKSJQSA-N 264.712 2.858 0 1 CFAF CC(=O)OCC(C)=CCc1cc2ccc(=O)oc2cc1O 2356445635 ILRQFFUQLPOVNR-UHFFFAOYSA-N 288.299 2.551 0 1 CFAF C=C(NNc1c(F)c(F)nc(F)c1F)c1ccncc1 64704946 YBICGNPOQIGCDN-UHFFFAOYSA-N 284.216 2.620 0 1 CFAF CN(C)c1ccc(-c2nc(=O)c3ccccc3n2C)cc1 32068080 BKWOUMBGGHTMMC-UHFFFAOYSA-N 279.343 2.667 0 1 CFAF Cc1ccc([C@H]2N(c3nccs3)C(=O)[C@@H]3CCCN32)cc1 75402991 KJCFWXMQZBNJJD-UONOGXRCSA-N 299.399 2.961 0 3 CFAF CCCOc1ccc2nc(-c3ccc4c(c3)OCO4)cn2n1 39003634 XGKGLOKHXCXVPZ-UHFFFAOYSA-N 297.314 2.914 0 1 CFAF CCCSc1nc(=O)cc(O)n1-c1ccccc1F 1911575062 AWXXKVKMFTUDKT-UHFFFAOYSA-N 280.324 2.579 0 1 CFAF CC(=O)O[C@@H]1[C@@H]2[C@@H]3CC[C@@H]1[C@H](C3)C21SCCS1 195478276 DREXMYSQNWWJKF-GCHJQGSQSA-N 270.419 2.770 0 1 CFAF CC1=CC2=c3cccc(C)c3=N[C@H](c3sccc3C)N2N1 95500835 VFQXSADKHSWLHE-KRWDZBQOSA-N 295.411 2.529 0 3 CFAF N=c1cc[nH]cc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 587249230 JTFLGUQUAMYULI-UHFFFAOYSA-N 280.118 2.739 0 1 CFAF CCOc1ccccc1OCc1nc2cccnc2[nH]1 587781422 UYWXCABYDCVWLX-UHFFFAOYSA-N 269.304 2.936 0 1 CFAF N[C@@H](c1nc2c(Cl)c(Cl)cnc2[nH]1)C1CC1 587255247 AHCOYEIJKVOTFR-SSDOTTSWSA-N 257.124 2.675 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1cccnc1C)[C@@H](C2)C3=O 587434986 CEJHSMGPLZGOIR-SUMWQHHRSA-N 281.311 2.887 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CCOC1)CC2=O 587486611 LZACPLMERAKWRV-MEBBXXQBSA-N 276.332 2.715 0 1 CFAF Cc1cnc2[nH]c(-c3cnc(-c4cnn(C)c4)s3)nc2c1 587022124 UZNGPXCFAWDVFI-UHFFFAOYSA-N 296.359 2.790 0 1 CFAF CCn1nc(C)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587389614 BMNVHBFXXMCCJY-OAHLLOKOSA-N 285.347 2.809 0 1 CFAF C[C@@]12C[C@@H](O)[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O 13152271 IGSYRIQHXYIOHU-ONMISFSYSA-N 286.371 2.788 0 1 CFAF Cc1cc(-c2nc3c4c(ncc3[nH]2)CCCC4)on1 13757027 MUBLADSQWNSSNU-UHFFFAOYSA-N 254.293 2.800 0 1 CFAF Nc1nccn1C[C@H](O)c1ccc(Cl)cc1Cl 169351075 NWISIWKJNNMDKJ-JTQLQIEISA-N 272.135 2.506 0 1 CFAF CCC(=O)N1[C@H]2CC[C@@H]1CN(C/C=C\c1ccccc1)C2 38158054 RKNSPEOBXHFNTD-IWDVQSJBSA-N 284.403 2.785 0 1 CFAF in-man Cc1ccc(N)c(C[S@@](=O)c2nc3ccccc3[nH]2)c1 28230192 LXQZSOAYUXMJNY-FQEVSTJZSA-N 285.372 2.761 0 1 CFAF Cn1c2ccc(Cl)cc2c2oc(C(=O)O)cc(=O)c21 28255486 LIEHLLVDWHGBNZ-UHFFFAOYSA-N 277.663 2.636 0 1 CFAF NC(=O)[C@@H]1CC[C@H](c2cccc(OCc3ccccc3)c2)N1 145527040 JLHKAVZBPMWOMO-SJORKVTESA-N 296.370 2.544 0 1 CFAF CCCN1CCO[C@@H]2c3cc(C(C)=O)ccc3CC[C@H]21 34022308 QGRZOKIURVWFKN-IAGOWNOFSA-N 273.376 2.987 0 1 CFAF CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)O[C@@H](C)CO 35986005 ILYLFTONJARHOX-WUHRBBMRSA-N 258.358 2.981 0 1 CFAF in-man COc1cc(F)ccc1-c1cncc(CNC2CC2)n1 71341404 VBZQILUNZIKERN-UHFFFAOYSA-N 273.311 2.543 0 1 CFAF O=C1C[C@@]23C=CCN4CC[C@H]5c6ccccc6N1[C@]42[C@@H]5CC3 95486070 QIGPQWKGPHTVIF-UAFONNFLSA-N 292.382 2.889 0 1 CFAF biogenic,in-vitro CC(C)[C@H](N)c1nc2c(Cl)cnc(Cl)c2[nH]1 587258523 FUPMAWFNQIFJCE-LURJTMIESA-N 259.140 2.921 0 1 CFAF COc1ccc(OC)c(-c2nc3c(C)ccnc3[nH]2)c1OC 587926136 HVKLEAIYZAERMT-UHFFFAOYSA-N 299.330 2.959 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(O)ccc1O)O2 587403663 KBBUFOZNLWMGFQ-HNNXBMFYSA-N 285.299 2.695 0 1 CFAF Cc1cnc(Cl)c2[nH]c(COC(F)(F)F)nc12 587124219 MIETWEZDROXUEJ-UHFFFAOYSA-N 265.622 2.956 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nccnc1Cl)O2 587378250 AWYWZDFEICLSQX-LLVKDONJSA-N 289.722 2.727 0 1 CFAF CCSCC(=O)N(C)Cc1cnn(-c2ccccc2)c1 584905011 PWEWVWHEVCEXNS-UHFFFAOYSA-N 289.404 2.584 0 1 CFAF in-vitro CNC(=O)c1ccc2nc(N3CCC(C)CC3)sc2c1 5145234 JDLRPTVGCWSPKT-UHFFFAOYSA-N 289.404 2.892 0 1 CFAF C[C@@H]1N(O)[C@H](c2ccccc2)C(c2ccccc2)=[N+]1[O-] 5836705 RZHJTANZVWNKCT-IUODEOHRSA-N 268.316 2.778 0 1 CFAF CO[C@@H]1/C=C\C(=O)O[C@@H](C)CCC/C=C\[C@@H]2C[C@H](O)C[C@H]21 169356672 XUHVOYMFCDAZJW-LCTCAOOYSA-N 294.391 2.617 0 1 CFAF O=[S@](c1ccccc1)N1CCN(c2ccccc2)CC1 27745563 BHLSPIMELYJCEI-FQEVSTJZSA-N 286.400 2.531 0 1 CFAF CCCCCCOc1nccnc1O[C@H]1CN2CC[C@@H]1C2 1544256 VGZCKWSRGATAFA-KGLIPLIRSA-N 291.395 2.519 0 1 CFAF CCc1ccc2c(c1)[C@@H](N1CCCCC1=O)[C@H](O)C2(C)C 3794441 FCBUVYJBPUAWPY-SJORKVTESA-N 287.403 2.955 0 1 CFAF CC(=O)O[C@H]1CC=C2C=C3OC(=O)C(C)=C3C[C@]2(C)C1 29485979 MAHPNFVHDXAJEE-LRDDRELGSA-N 274.316 2.806 0 1 CFAF COc1cccc(-c2nn(C(C)C)c3ncnc(N)c23)c1 8581953 KOICAHGTHMWKIZ-UHFFFAOYSA-N 283.335 2.665 0 1 CFAF C[C@H](N)CN1CCc2cc(F)c(C(F)(F)F)cc21 26473849 HMGZRIYJGAGANE-ZETCQYMHSA-N 262.250 2.554 0 1 CFAF O=C1NN=C(c2ccc(-n3ccnc3)cc2)[C@H]2CCCC[C@H]12 29210498 FXPSDQOKDIWBGU-GJZGRUSLSA-N 294.358 2.513 0 1 CFAF O=c1cc(CCCC2CC2)c2c(O)nc(C(F)F)nc2o1 66076013 DFLJUOUAVYDDBB-UHFFFAOYSA-N 296.273 2.959 0 1 CFAF CCN(CC)C(=O)[C@@]1(c2ccc3occc3c2)C[C@H]1CN 29046766 YKZNMHWYVVPEPW-WMLDXEAASA-N 286.375 2.518 0 1 CFAF CN1Cc2ccccc2[C@@]2(COc3ccccc3C2=O)C1 31829621 DSERXCVQUPWLBX-SFHVURJKSA-N 279.339 2.645 0 1 CFAF CCOc1ccccc1-c1ccc2c(N)nc(N)nc2c1 72116151 YUQSMDFWZIVXAK-UHFFFAOYSA-N 280.331 2.860 0 1 CFAF COc1ccc(Cc2ccccc2)c(CCNC(C)=O)c1 35075352 PTSBKKMDLCDTQY-UHFFFAOYSA-N 283.371 2.965 0 1 CFAF Cc1ccc(Cn2sc3ncccc3c2=O)cc1 36381335 CZYIEBFCAVEGNP-UHFFFAOYSA-N 256.330 2.815 0 1 CFAF Clc1ccc(-n2cc(C3=NCCN3)cn2)cc1Cl 73195631 MYYCIHICODQBFN-UHFFFAOYSA-N 281.146 2.529 0 1 CFAF CC(C)N1C[C@H]2C[C@@H]1CN2C(=O)c1ccc(Cl)cc1 84671411 DOSXDJPVCFXQOQ-ZIAGYGMSSA-N 278.783 2.647 0 1 CFAF C/C=C1/[C@@H]2CCN3C[C@]4(c5ccccc5N(C(C)=O)[C@@H]4C2)[C@@H]13 238746095 OFTFANZUEOWVIA-CXFFTMIESA-N 294.398 2.714 0 1 CFAF COC(=O)/C=C/c1oc(CCCCC(=O)OC)c(C)c1C 238759945 AFLMTSRLMDIJJL-MDZDMXLPSA-N 294.347 2.968 0 1 CFAF C[C@@H]1O[C@H](C2CCCC2)CC2=C1C(=O)OC(C)(C)O2 95603797 DFLAZOXUZAUZAV-ONGXEEELSA-N 266.337 2.918 0 3 CFAF CC1=N[C@@H](CC(C)C)C(=O)Nc2cc(C(=O)O)ccc21 473153910 CVMUOFKKKPRTRX-ZDUSSCGKSA-N 274.320 2.561 0 1 CFAF FC(F)(F)c1nc(Cl)[nH]c2nc(C3=COCC3)nc1-2 586913637 RSSCLXFUFUQYOW-UHFFFAOYSA-N 290.632 2.738 0 1 CFAF C=Cn1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C)n1 587391117 KQMJSGLXBNTANL-OAHLLOKOSA-N 283.331 2.889 0 1 CFAF Nc1ccc(/C=C\c2nc3ccc(CO)cc3[nH]2)cc1 587251832 PALZAJMERIGUHG-YWEYNIOJSA-N 265.316 2.808 0 1 CFAF Clc1c[nH]c2nc(-c3csc4c3CCOC4)nc-2n1 587032326 SXWMESAUSWKTDE-UHFFFAOYSA-N 292.751 2.759 0 1 CFAF COc1nccc2nc(C(F)(F)c3ccccn3)[nH]c12 587090675 UYZNYCPFCNVACS-UHFFFAOYSA-N 276.246 2.502 0 1 CFAF Cc1[nH]c2c(C(=O)O)cccc2c1-c1cnccn1 587639124 NOKMLSDHWAWZMU-UHFFFAOYSA-N 253.261 2.632 0 1 CFAF c1cc2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2cn1 587017778 ZEKIYMJCYAMIBW-NSHDSACASA-N 272.333 2.933 0 1 CFAF O[C@@H]1C=C[C@]2(C1)c1ccsc1CCN2Cc1cccnc1 962997901 MVDPGNSBPKPQSL-PBHICJAKSA-N 298.411 2.718 0 1 CFAF O=C(Nc1n[nH]c2cc(C3=CC[C@@H](O)CC3)ccc12)C1CC1 1772604011 XJEBAAAKHCJUSF-CYBMUJFWSA-N 297.358 2.840 0 1 CFAF O=C1CC[C@@H]2C[C@@H](C(=O)c3ccccc3)CC[C@@H]2CN1 5809757 ADHLYWFPKZJMJV-QLFBSQMISA-N 271.360 2.812 0 1 CFAF COc1ccccc1-c1noc([C@@H]2CN3CCC2CC3)n1 13860858 WMGKNFNQUYJCPM-CYBMUJFWSA-N 285.347 2.554 0 1 CFAF Cc1c[nH]c(NCCCN(C)C)c2c3cnccc3nc1-2 101503484 NVESUCDVEHKUOR-UHFFFAOYSA-N 283.379 2.735 0 1 CFAF COc1ccc(C2=NO[C@@H](c3ccncc3)C2)c(OC)c1 103275830 MNHDIKULWQFZNP-OAHLLOKOSA-N 284.315 2.965 0 1 CFAF Cn1c(C(=O)Nc2cccc(C(N)=O)c2)cc2sccc21 40786277 DZJVUXLPOAMPHN-UHFFFAOYSA-N 299.355 2.591 0 1 CFAF COC(=O)[C@H]1[C@@H](c2cc3ccccc3[nH]2)C[C@@H]2CC[C@H]1O2 84601941 KOKBPPDCKPRXAM-OJDYBEQGSA-N 285.343 2.992 0 1 CFAF C[C@H](NC1CCCCC1)c1nc2c(C(N)=O)cccc2[nH]1 40977240 FDVYKESEUOSJQY-JTQLQIEISA-N 286.379 2.645 0 1 CFAF CN(Cc1cc(O)n[nH]1)c1ccc(Br)cc1 95580790 QSJUUWTZKVCDJU-UHFFFAOYSA-N 282.141 2.514 0 1 CFAF COc1cc(Cl)ccc1-c1nc2cc[nH]c(=N)c2[nH]1 587066578 NRQMBHMQSPLXLD-UHFFFAOYSA-N 274.711 2.699 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](C)Cc1ccnn1C)O2 587391402 MJNQPEDODHTUEE-BDJLRTHQSA-N 299.374 2.523 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)Cc1cc(Cl)ccc1C3 587368206 FDMZKRWACUVLPW-UHFFFAOYSA-N 299.717 2.584 0 1 CFAF NC(=O)c1ccc2nc(-c3ccc(Cl)nc3F)[nH]c2c1 587177602 PVGATFIHSQSXPO-UHFFFAOYSA-N 290.685 2.516 0 1 CFAF CC(=O)Nc1ccc2c(=O)cc(-c3ccccc3)[nH]c2n1 13579565 AYRGSVUCFPPARR-UHFFFAOYSA-N 279.299 2.549 0 1 CFAF CCCCn1c(=O)cc(Nc2ccc3c(c2)CCC3)[nH]c1=O 13798105 ZVWREUXWXQQXGT-UHFFFAOYSA-N 299.374 2.569 0 1 CFAF COc1cccc2c1C[C@H](NC(=O)Cc1ccccc1)CC2 13833093 NBVVSVOKQAVJOT-MRXNPFEDSA-N 295.382 2.911 0 1 CFAF Cc1cccc(-c2cncc(C(=O)[C@@H]3CCN(C)C3=O)c2)c1 205747413 QNCLOURKADZPQM-INIZCTEOSA-N 294.354 2.718 0 1 CFAF Cc1ccccc1OCC(=O)Nc1ccc2c(cnn2C)c1 1857568266 LMRJFUHOJTXTDB-UHFFFAOYSA-N 295.342 2.899 0 1 CFAF O=C1c2ccccc2S(=O)N1c1cccc(F)c1 61935685 ZPSKJWCPAZKGQG-UHFFFAOYSA-N 261.277 2.509 0 1 CFAF O[C@H]1c2ccc(Cl)cc2S[C@@H]1Cn1ccnc1 27406166 DABDTARKKXUQAO-NEPJUHHUSA-N 266.753 2.744 0 1 CFAF COC(=O)[C@H](c1ccccc1Cl)[C@H]1CCCCN1 28645532 PIXHGSMGPNTYSH-CHWSQXEVSA-N 267.756 2.739 0 1 CFAF CCO[C@]12C[C@@H]3CCC[C@H](C)[C@]3(C)[C@@H](O)C1=C(C)C(=O)O2 2356443053 YVOOVMQQAQCZEN-WJWHMCCFSA-N 294.391 2.800 0 1 CFAF CC1=C[C@@H]2OC(=O)[C@@H](C)[C@H]2CCC(CO)=CCC1 2356674411 HFQLMAXPTJTMQQ-YUTCNCBUSA-N 250.338 2.603 0 1 CFAF CC1(C)C[C@H]2[C@H](C1)C[C@](C)(O)c1cocc1[C@@H]2O 2356737782 DVUNYSPYMVWYHH-JLBHGKSJSA-N 250.338 2.977 0 1 CFAF Cc1nc(C)c(C=C2C(=O)Nc3ccccc32)nc1C 2356747442 UPOJQOAXPUNQHS-UHFFFAOYSA-N 265.316 2.895 0 1 CFAF Clc1ccc([C@@H]2NNCc3nc4ccccc4n32)cc1 84669296 GJIOGVZQVRJXLB-OAHLLOKOSA-N 284.750 2.844 0 1 CFAF [O-][n+]1ccccc1CSc1nnc(-c2ccccc2)o1 95872104 TUPRUXHPKAATHD-UHFFFAOYSA-N 285.328 2.662 0 1 CFAF C[C@H](O)CCC1=CC[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H]1C 238731811 GVKRUTFARUBHKM-FFNLUWKOSA-N 252.354 2.681 0 1 CFAF CCCCNc1nc(C)c(C(N)=O)c2ccccc12 653717188 YMUHSVSMILUVDC-UHFFFAOYSA-N 257.337 2.854 0 1 CFAF Cc1cc(-c2ccc3c(O)nc(O)nc3n2)c(C)s1 587562985 NZDAQARLIYURMB-UHFFFAOYSA-N 273.317 2.781 0 1 CFAF Cc1cc2nc([C@@H](O)C3CCOCC3)[nH]c2cc1C 586913859 RCKKLDOQIAKMLF-AWEZNQCLSA-N 260.337 2.640 0 1 CFAF N=c1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c[nH]1 587017086 HRYJCFDVXIGMBK-UHFFFAOYSA-N 297.343 2.678 0 1 CFAF COc1cc2nc(CSC(C)(C)C(=O)O)[nH]c2cc1C 586959453 OBXYPUJJHQKIGY-UHFFFAOYSA-N 294.376 2.976 0 1 CFAF O[C@H]1CC[C@@H](c2nc3cc(Cl)cnc3[nH]2)CC1 586897517 AAIVEKSWSLQHQK-OTSSQURYSA-N 251.717 2.630 0 1 CFAF COC(=O)c1ccnc2nc(-c3cc4c(s3)CCC4)[nH]c12 587037734 XWTFBBKLBMJPNO-UHFFFAOYSA-N 299.355 2.962 0 1 CFAF CC[C@@H]1OCCC[C@H]1c1nc2cccc(C(=O)O)c2[nH]1 586913395 RDKBTFMMDHCJDE-SKDRFNHKSA-N 274.320 2.934 0 1 CFAF CC(C)(C)c1ccc2nc([C@H]3CSCC(=O)N3)[nH]c2c1 587043791 MZQGJACJWCKVLY-GFCCVEGCSA-N 289.404 2.765 0 1 CFAF Cc1nc(N(C)C)ncc1-c1nc2ccc(F)cc2[nH]1 587194747 MUSDERUUVIEODA-UHFFFAOYSA-N 271.299 2.533 0 1 CFAF COC(=O)C1=Cc2nc3cccc4c3c(c2CC1)CC4 587213032 FIYRCXANMFUGBO-UHFFFAOYSA-N 265.312 2.836 0 1 CFAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc[nH]c(=N)c2[nH]1 587930825 PWPRDIJAYNENNL-PIGZYNQJSA-N 294.358 2.824 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(C[C@H]4C=CC[C@H]41)[C@@H](C2)C3=O 587446771 FRIAQAAPQGJECY-JLDKEGCXSA-N 268.312 2.777 0 1 CFAF Oc1nncc2nc(CSCc3ccsc3)[nH]c12 587026561 VPJQVSFQLSVYPI-UHFFFAOYSA-N 278.362 2.553 0 1 CFAF CCOC(=O)C[C@@]1(CC(C)C)NCCc2c(C)ccnc21 963067310 JDZDCZBCNCVRMB-QGZVFWFLSA-N 290.407 2.730 0 1 CFAF O=C(/C=C/c1cccc(Cl)c1)n1n[n+]([O-])c2ccccc21 141689555 AOFZAIKOPGVTOF-CMDGGOBGSA-N 299.717 2.677 0 1 CFAF COCO[C@H]1C=CCCCC#C[C@H](C)C(=O)CC1 254074082 BWLLOUVOLSIEOO-KBPBESRZSA-N 250.338 2.704 0 1 CFAF c1ccc([C@H](OCCCc2cnc[nH]2)c2cncnc2)cc1 1772616432 GDFLSTBWIZIRQT-KRWDZBQOSA-N 294.358 2.939 0 1 CFAF COC(=O)/C1=C/C2CC(/C=C(/c3ccccc3)C(=O)O1)C2 5813485 BFSPTGLBIIGTKJ-TYPNBTCFSA-N 284.311 2.710 0 1 CFAF CC[C@@H](C)CNC(=O)c1ccc2c(c1)NC(=O)C(C)(C)O2 206490656 XLBCLVGDPJJBJT-SNVBAGLBSA-N 290.363 2.572 0 3 CFAF CSc1nnc(-c2cc(C)on2)n1-c1ccccc1 1007451 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Cc1cccc(Nc2ncnc3cc4c(cc23)OCO4)n1 96914121 YPVRDMOHEYEFIY-UHFFFAOYSA-N 280.287 2.806 0 1 CFAF CCCN1CCC[C@H]2c3nc(N)sc3CC[C@H]21 149034855 YZXHGMLAVBMVDU-NXEZZACHSA-N 251.399 2.630 0 1 CFAF CCC(=O)c1c(O)cccc1OCCN(CC)CC 95558205 SBKDMUAJAQVKTP-UHFFFAOYSA-N 265.353 2.706 0 1 CFAF CN(C)C(=O)/C=C(\OC(=O)c1ccccc1)c1ccccc1 95914223 YTRCWGCAHIZEAO-SSZFMOIBSA-N 295.338 2.973 0 1 CFAF biogenic,in-vitro Clc1ccc(-c2cncc(N3C[C@@H]4C[C@H](C3)N4)c2)cc1 473149178 IPBKEGRYOBLBPX-GASCZTMLSA-N 285.778 2.953 0 1 CFAF O=C(Nc1ccccc1O)[C@H]1CCc2ccccc2N1 653830083 CHXVLNZJUFGGMY-CQSZACIVSA-N 268.316 2.758 0 1 CFAF COc1c(N[C@@H](C)c2cccc3ccccc23)c(=O)c1=O 653850135 BUFXLRDBBKZFIW-JTQLQIEISA-N 281.311 2.618 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3ccnn13)O2 587394206 DNRVERWNQNMKEY-INIZCTEOSA-N 293.326 2.931 0 1 CFAF C[C@]1([C@H]2CCNC2)CC(=O)c2ccc3c(c2O1)CCCC3 587523223 HLVBJVLNVFJBQN-SCLBCKFNSA-N 285.387 2.899 0 1 CFAF N[C@@H](Cc1nc2cncnc2[nH]1)c1cccc2ccccc12 587258313 GOZBYPHYNPQYPO-AWEZNQCLSA-N 289.342 2.749 0 1 CFAF CCOc1ccc(OCC)c(-c2nc3cncnc3[nH]2)c1 587778852 VQZBJUQVANOKTJ-UHFFFAOYSA-N 284.319 2.817 0 1 CFAF Cc1cnc2nc(C3=Cc4cccc(O)c4OC3)[nH]c2c1 586909288 WPSRXZTVDRTLOO-UHFFFAOYSA-N 279.299 2.905 0 1 CFAF COc1ccoc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587403825 LWGQMWCDPQTGDK-CYBMUJFWSA-N 273.288 2.885 0 1 CFAF CC(=O)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587816136 URFHGVINOSASIT-PWCHPLFNSA-N 286.144 2.753 0 1 CFAF CCCn1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n1 587390276 GEIZKVHJHWYIRT-HNNXBMFYSA-N 285.347 2.890 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCS[C@H]1C)O2 587413339 GYZGLVWPWJHNQS-XPTSAGLGSA-N 263.362 2.807 0 1 CFAF Cc1cnc2[nH]c([C@H](C)n3cc(Cl)cn3)nc2c1 587081761 FEFYWZHLIQYNRP-QMMMGPOBSA-N 261.716 2.726 0 1 CFAF O[C@@]1(c2ccccc2Cl)c2ccccc2C2=NCCN21 13760548 INCRYDPIDJWFEF-MRXNPFEDSA-N 284.746 2.609 0 1 CFAF COc1cc(/C=C\COC(C)=O)ccc1OC(=O)C(C)C 15113546 OTZYSHCTFLTWNP-WAYWQWQTSA-N 292.331 2.833 0 1 CFAF CNC(=S)N1N=C2CCCC[C@H]2[C@H]1c1ccco1 169722517 FBNZNYMVFHXNOR-SKDRFNHKSA-N 263.366 2.687 0 1 CFAF Fc1ccc(Nc2ccc(N3C[C@@H]4C[C@H](C3)N4)cn2)cc1 1857758808 PFEBDEOEEICVBY-OKILXGFUSA-N 284.338 2.515 0 1 CFAF O=C1CS[C@H](c2ccccn2)N1c1ccc(Cl)cn1 180215 RBPNUGTXRBYIBX-CYBMUJFWSA-N 291.763 2.909 0 1 CFAF CCn1cc(C(N)=O)c(=O)c2ccc(-c3ccccc3)cc21 6425921 KYEAKQWFNIOMHG-UHFFFAOYSA-N 292.338 2.787 0 1 CFAF Cc1cc(=O)n(C(=O)[C@]2(C)C(C)(C)C2(Cl)Cl)o1 103291202 HYUXKFODPRUNKU-SNVBAGLBSA-N 278.135 2.610 0 1 CFAF NC[C@@H](O)c1cccc(OCc2ccc3ccccc3n2)c1 26181826 XFTDTTXHSWXATQ-GOSISDBHSA-N 294.354 2.806 0 1 CFAF COc1ccc2c3c1O[C@@H]1CC=C[C@@H]4[C@H](C2)N(C)CC[C@@]341 100580892 CYNZTGLNKBWNHM-ZFHGCVPZSA-N 283.371 2.530 0 1 CFAF O=C(O)c1ccc(N2CCN(c3ccccc3)C2=O)cc1 28365534 QPSLACYEKYGNGG-UHFFFAOYSA-N 282.299 2.831 0 1 CFAF C[C@]12CC[C@@H]3[C@@H]4CC[C@H](O)C[C@@H]4[C@H](O)C[C@@H]3[C@H]1CCC2=O 2356390058 PDQDPBXUHQIIKF-YOADNHRMSA-N 292.419 2.540 0 1 CFAF Cc1ccc(C(=O)c2c(C)cc3n2CC[C@H]3C(=O)O)cc1 27899675 TXPKDNHCKLDGPR-CYBMUJFWSA-N 283.327 2.908 0 1 CFAF NC[C@H]1C[C@]1(C(=O)Nc1ccccc1)c1ccccc1 29127673 CBSPAZYMJJLPIY-PBHICJAKSA-N 266.344 2.542 0 1 CFAF CC(=O)OCC(C)=CCc1cc(C=CC(=O)O)ccc1O 2356456367 AZVYEXRHJNYEAV-UHFFFAOYSA-N 290.315 2.542 0 1 CFAF C[C@]1(CO)CCC[C@]2(C)c3ccc(O)cc3[C@@H](CO)[C@@H]12 2356505002 MTNURUQAWCRCEW-XLNGHYISSA-N 276.376 2.538 0 1 CFAF CC(C)NC(=O)[C@@]1(C)CCN1Cc1ccc(Cl)cc1 61926713 HOQZCTJGDVSWAG-OAHLLOKOSA-N 280.799 2.829 0 3 CFAF COc1ccc(-n2nc3cc(C)oc(=O)c3c2C)cc1 73258538 BVVMIRIBCUYWPI-UHFFFAOYSA-N 270.288 2.604 0 1 CFAF COc1cc2c(c(OC)c1O)-c1c(O)ccc(O)c1CC2 42989365 HUXUPTMINAVZIB-UHFFFAOYSA-N 288.299 2.586 0 1 CFAF COc1ccc([C@@H]2CC(=O)N(C)C2)cc1OC1CCCC1 95576188 CFODIQZSRVSRRB-CYBMUJFWSA-N 289.375 2.962 0 1 CFAF Cc1c(-c2nc(C(=O)O)co2)cnn1-c1ccc(F)cc1 95615554 WPAXFMQFJQZBFD-UHFFFAOYSA-N 287.250 2.673 0 1 CFAF COc1cncc2nc(CCc3ccc(C)c(N)c3)[nH]c12 587250062 GBKHGCGPIXKTNF-UHFFFAOYSA-N 282.347 2.642 0 1 CFAF COc1cncc2nc(-c3cc(=N)[nH]c4ccccc34)[nH]c12 587254766 YRADLAGTRQOQBK-UHFFFAOYSA-N 291.314 2.594 0 1 CFAF CC(C)[C@](C)(O)c1nc2ccc(Br)c(O)c2[nH]1 586888660 LOJKZRKVVJOSOM-LBPRGKRZSA-N 299.168 2.895 0 1 CFAF COc1c(F)cc(-c2nc3nc(Cl)c[nH]c-3n2)cc1F 587135010 PIKFJPZQMNUUOI-UHFFFAOYSA-N 296.664 2.912 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cn1cnc(C)c1C)O2 587392527 ZIEJCYBROUQAHY-QGZVFWFLSA-N 299.374 2.815 0 1 CFAF CCSCC[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587451025 IBPDGGYYGJXRBI-RYUDHWBXSA-N 278.373 2.954 0 1 CFAF O=C1CC(=O)c2cc(Br)cc(Cl)c2O1 957575443 PIQZYNOHAUEIJU-UHFFFAOYSA-N 275.485 2.594 0 1 CFAF CCOC(=O)[C@@H]1C[C@H]1[C@H]1NCCc2c1sc(C)c2C 963027656 QIDHSODMUWVVFO-JHJVBQTASA-N 279.405 2.751 0 1 CFAF NC(=O)CCNCc1ccc(-c2ccccc2)c(Cl)c1 1772584932 ZYJVPHMDRCBKBZ-UHFFFAOYSA-N 288.778 2.972 0 1 CFAF CCCSc1nsnc1O[C@]12CCCN(CC1)C2 13777600 CAMNRYWGSIAURC-GFCCVEGCSA-N 285.438 2.657 0 1 CFAF CCc1c(C)[nH]c(=O)c(N(C)C)c1Cc1ccccc1 5886513 ILAUZZSXWQHZLD-UHFFFAOYSA-N 270.376 2.903 0 1 CFAF O=c1cc(N2CCOCC2)oc2c(-c3ccco3)cccc12 13677221 KEXLPFOPRBRYIA-UHFFFAOYSA-N 297.310 2.890 0 1 CFAF in-vivo CCNC(=O)Nc1ncccc1OCc1ccc(F)cc1 206993135 CGMMRIAFKFLGQN-UHFFFAOYSA-N 289.310 2.941 0 1 CFAF COC(=O)N1CCC2(CC1)CCN(c1ccncc1)CC2 3956398 JPNHXOCMJZDDFE-UHFFFAOYSA-N 289.379 2.530 0 1 CFAF O[C@H]1CN(CCc2ccccc2)CCc2ccccc21 1857763074 DCLXNOJGWJJAOU-SFHVURJKSA-N 267.372 2.821 0 1 CFAF COc1cccc(-c2n[nH]c(-c3ccccc3C=O)n2)c1 28221446 PCFSPPLIZQJVEO-UHFFFAOYSA-N 279.299 2.960 0 1 CFAF Cc1ccc2c(c1)NC[C@H](C(=O)NC1CCC(C)CC1)O2 261345 YIDKURKGORMLMZ-IJGSQOGDSA-N 288.391 2.863 0 3 CFAF COc1cccc([C@H](CN(C)C)C2(O)CCCC2)c1 26742624 YDYSLQRCUQCVJN-HNNXBMFYSA-N 263.381 2.646 0 1 CFAF Sc1nncc2cnc(-c3cccc(Cl)c3)n12 29415514 QPTZQVMDTWGJGT-UHFFFAOYSA-N 262.725 2.733 0 1 CFAF CCN(CC)C(=O)[C@@]1(c2ccc3ccccc3c2)C[C@H]1CN 28819406 WBXNOUNNTQJATK-PKOBYXMFSA-N 296.414 2.925 0 1 CFAF Cn1c2c(c3c(N)c4c(nc31)CCCC4=O)CCCC2 26577934 MXENKPIMNJXAJW-UHFFFAOYSA-N 269.348 2.553 0 1 CFAF FC(F)(F)c1cccc(-c2ccc3nncn3n2)c1 27707665 LUNGXSAUXKXSSP-UHFFFAOYSA-N 264.210 2.810 0 1 CFAF CC(C)[C@@H]1CC[C@]2(C)[C@H](O)CCC(C(=O)O)=C[C@@H]12 2356705204 AFZYVLSAQGQODC-XPCVCDNBSA-N 252.354 2.841 0 1 CFAF O=C(c1ccccc1Cl)N(CC1CCC1)[C@H]1CCNC1 42922703 VQXNEYZVHJNUFJ-ZDUSSCGKSA-N 292.810 2.944 0 1 CFAF COc1ccc2c(c1)C(=O)C(c1ccsc1)=[N+]2[O-] 45254372 QUDLZZQDQNBTQP-UHFFFAOYSA-N 259.286 2.584 0 1 CFAF C/C=C(/C)C(=O)OC/C=C\c1cc(OC)c(O)c(OC)c1 238757621 GYADQQUPUOFTDO-PDDHADQFSA-N 292.331 2.932 0 1 CFAF O=C(NO)c1ccc(Cn2ccc3ccccc32)cc1 146383554 SUWMPMSWSJBENV-UHFFFAOYSA-N 266.300 2.809 0 1 CFAF CC(C)CN1C(=O)/C(=C/C=C/c2ccccc2)NC1=S 299832091 KUAMXYQCHQRVOY-NHZNEZGNSA-N 286.400 2.956 0 1 CFAF CC[C@@H](C)NC(=O)c1nc(-c2cccc(C)c2)cnc1N 473106884 YSCKIPHFCXMPLJ-LLVKDONJSA-N 284.363 2.563 0 1 CFAF COc1cc2c3c(c1)O[C@@]1(CCc4cccnc41)[C@@H](C2)C3=O 587436374 PEFXKMZMFIHYAD-UGSOOPFHSA-N 293.322 2.679 0 1 CFAF CO[C@@H]1CCCC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587403838 RVSFGSIFRUBDHW-ZBFHGGJFSA-N 275.348 2.870 0 1 CFAF Cc1nc2cccc(-c3ccc4c(O)nc(O)nc4n3)c2o1 587553587 COUSFYYIURNYQX-UHFFFAOYSA-N 294.270 2.553 0 1 CFAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(O)c1 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0 1 CFAF CCOc1ccccc1CCn1cc2[nH]cccc-2c1=O 1857619362 QMBTXOAWDMUSRA-UHFFFAOYSA-N 282.343 2.923 0 1 CFAF Cn1cc(NC(=O)N2CCCCC2)c2ccccc2c1=O 6932084 SJPJWPVATBGZPG-UHFFFAOYSA-N 285.347 2.556 0 1 CFAF O[C@]1(c2ccccc2)c2c(Cl)cccc2C2=NCCN21 3610027 KGXSWLWIHQIERE-MRXNPFEDSA-N 284.746 2.609 0 1 CFAF CCC(=O)NCC[C@H]1CCc2ccc3ocnc3c21 13491276 GQWFMEOWOGBUAC-LLVKDONJSA-N 258.321 2.774 0 1 CFAF CON1C(=O)C2(CCCCC2)C(=O)[C@]12C=C[C@@H](C)CC2 1628819 BUFHUBGYZDDJBC-MLGOLLRUSA-N 277.364 2.635 0 1 CFAF C[C@]12CC(=O)[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC2=O 3902492 WKUQOYYYFVBROI-BODMPHMZSA-N 284.355 2.996 0 1 CFAF Cc1cccc(C)c1N1C(=O)c2ccc(O)cc2C1=O 6523146 GPUARNPEQNPVEX-UHFFFAOYSA-N 267.284 2.810 0 1 CFAF C[C@@H]1CC[C@H]2CC3=C(C(=O)O)[C@H](O)C[C@]31C2(C)C 2356376224 OYBOOQVHULBBQW-NTDWFJSYSA-N 250.338 2.595 0 1 CFAF CC(C)N[C@@H](C)[C@H](O)COc1ccc2ccccc2c1 28766246 PZPAJMWFOHJPAQ-SUMWQHHRSA-N 273.376 2.966 0 1 CFAF CCSc1nc(=O)c(CC)c(O)n1[C@@H](C)CC 100560269 PAFZEVSNZUTXOT-QMMMGPOBSA-N 256.371 2.594 0 3 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2.540 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1nc(C)co1)[C@@H](C2)C3=O 587436168 MUBHZXABIGBFCU-ZBEGNZNMSA-N 285.299 2.654 0 1 CFAF C[C@@H](F)[C@H](N)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587124277 MFBYJIIAUVTZNT-GLEZIHRCSA-N 299.353 2.752 0 1 CFAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(CCO)cc3[nH]1)C2 586884334 HCQQKDCAAYYUGE-IHRRRGAJSA-N 296.370 2.737 0 1 CFAF Clc1ncc2nc(-c3ncccc3Cl)nc-2[nH]1 587065007 JPJLNGSARWHOPE-UHFFFAOYSA-N 266.091 2.673 0 1 CFAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(F)c(F)c2[nH]1 587962514 JZZAGCHHYHEKFZ-YUMQZZPRSA-N 264.275 2.999 0 1 CFAF C[C@@H](Cc1nc2ccc(C(C)(C)C)nc2[nH]1)N(C)C 587191880 OZPQAMCTJRFYLS-JTQLQIEISA-N 260.385 2.748 0 1 CFAF CC[C@@H](C)[C@@]1(C(=O)O)NCCc2c1sc(C)c2C 963032680 UWVCXXZWKIGFJV-XLKFXECMSA-N 267.394 2.837 0 1 CFAF CCc1cc(Cc2nc3ccccc3o2)c(=O)[nH]c1C 5887104 BUYNMGMCEWNECY-UHFFFAOYSA-N 268.316 2.978 0 1 CFAF COc1cc2c(cc1O)[C@@H]1COc3cc(O)ccc3[C@@H]1O2 14820544 FPPWIEZFMZZUPL-ZBEGNZNMSA-N 286.283 2.716 0 1 CFAF endogenous,in-man Cc1nc2ncnn2c2c1CCN2[C@H](C)c1ccccc1 9280 KLHJCRXZKQLXFF-GFCCVEGCSA-N 279.347 2.556 0 1 CFAF CCc1c(C)[nH]c(=O)c(CO)c1O[C@H]1C[C@@H](C)C[C@@H](C)C1 101660204 PUXCDVYSUTXHQT-PTEHBNRSSA-N 293.407 2.942 0 1 CFAF O=C([C@H]1C[C@@H]1c1ccccc1)N1CCCN(C2CCC2)CC1 113831646 GHRFAHMWKAJLGH-MSOLQXFVSA-N 298.430 2.877 0 1 CFAF CC(C)OC(=O)[C@@]1(c2ccc(Cl)cc2)C[C@@H]1CN 26987306 HPWBSFGMHDSQJZ-BXUZGUMPSA-N 267.756 2.508 0 1 CFAF c1csc(C2=NO[C@H](c3ccc4c(c3)OCO4)O2)c1 72116623 VIHPYXXLEQUSDV-CYBMUJFWSA-N 275.285 2.884 0 1 CFAF Cn1cc(-c2ccccc2)c(-c2cc(C(=O)O)n[nH]2)c1 1911580139 KAWMMUBHULOVQE-UHFFFAOYSA-N 267.288 2.780 0 1 CFAF CCCCN1CCn2nc(-c3ccc(OC)cc3)cc2C1=O 40865543 XUKURMKHGNPDOY-UHFFFAOYSA-N 299.374 2.815 0 1 CFAF O=c1c2cnc3c(c2[nH]n1-c1ccc(F)cc1)CCCC3 140074952 OCRXNCFQMXUTJZ-UHFFFAOYSA-N 283.306 2.732 0 1 CFAF COC(=O)/C(C)=C/[C@H](C)C[C@H](C)C[C@](C)(O)C[C@H](C)O 254101201 IQQFJADQXWBZGX-VMFJMCMLSA-N 286.412 2.680 0 1 CFAF Cc1ccc(-c2cc(C)c(=N)n(CCCC(=O)O)n2)cc1 377805996 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963328202 DZCDACAHEBYMBL-JTQLQIEISA-N 298.173 2.668 0 1 CFAF CCCCSc1nsnc1O[C@H]1CN2CCC1CC2 13777564 JLXUKRSLRGEIPY-NSHDSACASA-N 299.465 2.903 0 1 CFAF COc1cc(=O)n(C)c2c(OCC=C(C)C)cccc12 14684920 OBHOLRHOVYMUCH-UHFFFAOYSA-N 273.332 2.892 0 1 CFAF CN[C@@H](Cc1ccc2c(c1)OCO2)c1ccccc1OC 169325792 BSLKBDJHZJZPLS-AWEZNQCLSA-N 285.343 2.927 0 1 CFAF O=C1O[C@H]([C@@H](O)c2ccccc2)C(O)=C1c1ccccc1 103098802 PWQJRZHJZLRVSD-GOEBONIOSA-N 282.295 2.615 0 1 CFAF Cc1ccc(OP2(=O)NCC(C)(C)CN2)cc1 103223781 CDEULPSEQPXCTE-UHFFFAOYSA-N 254.270 2.701 0 1 CFAF O=C(O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)NCCC1=CCCCC1 101640735 MFNHOXMUXZEVAG-KBXIAJHMSA-N 289.375 2.516 0 1 CFAF CCN1C(=S)N(CC(C)C)C(=O)[C@@H]1c1ccccc1 27747797 CBAYBJBIWRAYAT-ZDUSSCGKSA-N 276.405 2.833 0 1 CFAF O=C(c1ccc(Cl)cc1)c1cccc(C2=NCCN2)c1 27409573 QFYPGBLQODISJU-UHFFFAOYSA-N 284.746 2.921 0 1 CFAF O=C(O)c1c(O)cc(O)cc1C=Cc1ccccc1 2356583237 NYRISADACLJHMJ-UHFFFAOYSA-N 256.257 2.966 0 1 CFAF c1ccc2c(c1)N[C@@H]1CC[C@@H]3[C@H]4CCO[C@@]35N(CC4)CC[C@@]215 2356647783 VXULHDGVSWUSAZ-PXHWLCEJSA-N 296.414 2.971 0 1 CFAF C[C@H](N)c1csc(Nc2nncc3ccccc23)n1 61896322 MZRGEMYCBZBHGW-QMMMGPOBSA-N 271.349 2.850 0 3 CFAF COc1cc(O)c2c(c1)CO[C@@H]2c1c(O)cc(C)cc1O 2356800144 PSLVXKINDQRBMH-INIZCTEOSA-N 288.299 2.740 0 1 CFAF COC[C@H]1[C@@H]2CNC[C@@]21c1ccc2ccccc2c1 45393118 VNJFIBFHISUZRV-YESZJQIVSA-N 253.345 2.573 0 1 CFAF NCCNc1cc(-c2ccncc2)cc2cnccc12 95560484 CGIUQTLYFGDGTD-UHFFFAOYSA-N 264.332 2.667 0 1 CFAF COc1cccc(-c2cccc([C@]3(C)COCC(N)=N3)c2)c1 96906021 UJJUBYHHIWOWQJ-SFHVURJKSA-N 296.370 2.965 0 1 CFAF CN=c1sc2ccccc2n1C[C@H](O)c1ccccc1 263592017 SZFADAJLSVNMSW-AWEZNQCLSA-N 284.384 2.967 0 3 CFAF c1nc(N[C@@H]2CCOC2)c2cc(-c3cncs3)ccc2n1 299852633 VOXXOUBHHMGKFF-LLVKDONJSA-N 298.371 2.954 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(O)c1)O2 587404884 SSQXHULICXVSOP-HNNXBMFYSA-N 269.300 2.989 0 1 CFAF C[C@H]1C[C@@H](C)C[C@H](c2ccc3c(O)nc(O)nc3n2)C1 587561368 HAGPGTDIXWVHBR-MYJAWHEDSA-N 273.336 2.976 0 1 CFAF CCCOc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 587559933 PZEHXIHSGZEUNK-UHFFFAOYSA-N 297.314 2.892 0 1 CFAF Cc1cccc(C)c1-c1ccc2c(O)nc(O)nc2n1 587561450 QHOHMKIFXFVWTF-UHFFFAOYSA-N 267.288 2.720 0 1 CFAF Cc1ccc(CCc2nc3cc4c(cc3[nH]2)OCO4)cc1N 587250171 JKUKMWQPXOOQJN-UHFFFAOYSA-N 295.342 2.967 0 1 CFAF CCCCC(=O)n1ncc2ccc(Cl)cc2c1=O 587651935 HIYTUPMTANKLGU-UHFFFAOYSA-N 264.712 2.880 0 1 CFAF CC(=O)CSc1nc(C)nc2c1sc(=S)n2C 957877305 ZIBBXZUVCSKUEP-UHFFFAOYSA-N 285.419 2.749 0 1 CFAF CC[C@H](C)[C@@]1(C(=O)O)NCCc2cc(C)c(F)cc21 962298444 MBNMCEMWTDHPAW-ZUZCIYMTSA-N 265.328 2.606 0 1 CFAF COc1cc(Br)c2nnn(CC3CC3)c2c1 1857570577 VHUUORRPDDUVIJ-UHFFFAOYSA-N 282.141 2.612 0 1 CFAF Cc1ccc2c(c1)CC[C@@H]1[C@](C)(CO)C[C@@H](O)C[C@@]21C 1772655110 GQGZYWBPNPVTIM-BGTYHANMSA-N 274.404 2.968 0 1 CFAF C[C@H]1CCC[C@H](NC(=O)c2ccc3c(c2)OCO3)[C@@H]1C 14245377 NWZUEDXERQPFEM-LOWVWBTDSA-N 275.348 2.970 0 1 CFAF Cc1cc2cc(O)cc(O)c2c2c1C(=O)C[C@@H](C)O2 15150313 LFEVSCCUJFVIFA-MRVPVSSYSA-N 258.273 2.913 0 1 CFAF Fc1ccc2nc(-c3cnccn3)n(C3CC3)c2c1 1250629390 BUOZLPPJCBYBIM-UHFFFAOYSA-N 254.268 2.967 0 1 CFAF NC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 386774 PIKFBLNWJRGWAQ-UHFFFAOYSA-N 273.267 2.569 0 1 CFAF Cc1cc(Nc2ccccc2F)n2nc(C)nc2n1 4923501 UCPUHJNVPQFDRG-UHFFFAOYSA-N 257.272 2.624 0 3 CFAF CSc1ncc(C(=O)Nc2ccc(Cl)cn2)c(C)n1 6937864 GOHNITRABBHQEX-UHFFFAOYSA-N 294.767 2.808 0 1 CFAF CCCCCOc1ccc2c(c1)-c1nncn1CCO2 53242901 ROELMCNLWIWIDO-UHFFFAOYSA-N 273.336 2.907 0 1 CFAF CC(C)Cn1c(=O)c2ncn(C)c2c2ccccc21 27327402 AYAWNIHZRBNJQJ-UHFFFAOYSA-N 255.321 2.544 0 1 CFAF Cc1ccc([C@@H]2N(c3nccs3)C(=O)[C@H]3CCCN23)cc1 58047188 KJCFWXMQZBNJJD-KGLIPLIRSA-N 299.399 2.961 0 3 CFAF c1ccc([C@H]2CN3CCNC[C@H]3c3ccccc32)cc1 25964215 IVDVHWNKPARSHK-MSOLQXFVSA-N 264.372 2.778 0 1 CFAF CC(C)CC/C=C(\NC(=O)[C@H]1CC1(C)C)C(=O)O 26026840 GWBLSCPBZYDXDC-PAKSIRSJSA-N 253.342 2.553 0 1 CFAF CC1(C)CCCN(c2nnc(N)nc2-c2ccccc2)C1 118633671 QRDFCTALHLWPRP-UHFFFAOYSA-N 283.379 2.747 0 1 CFAF CCn1c2ccccc2c2c(N)c(C(=O)OC)c(C)nc21 29559714 JISKKOQSQAJIHM-UHFFFAOYSA-N 283.331 2.887 0 1 CFAF C/C=C1\[C@H]2C=C(C)C[C@]1(OC(C)=O)c1ccc(=O)[nH]c1C2 26172218 NQDKDKJCFOXTQI-QNDFORTISA-N 285.343 2.602 0 1 CFAF CN[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1 29135134 YBOKDFRWLQIMKO-LLVKDONJSA-N 297.333 2.805 0 1 CFAF CC(=O)c1cccc(Nc2cc3c(cn2)ncn3C)c1 74388893 YICNXDQFQBYZDV-UHFFFAOYSA-N 266.304 2.915 0 3 CFAF Cc1cccc(C)c1OCCN[C@@H]1CCCC[C@@H]1O 73168602 ZQEKJFLPOKNQMM-CABCVRRESA-N 263.381 2.575 0 1 CFAF O=[P@@]1(c2ccc(C(F)(F)F)cc2)NCCCO1 1911580763 AMCYJHYSRAQYGI-QGZVFWFLSA-N 265.171 2.534 0 1 CFAF CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccccc2)cn1 49052672 FSBKKFGQSCIUHX-HOTGVXAUSA-N 265.360 2.641 0 1 CFAF CO[C@H]1CC(=O)CC[C@@]1(O)C/C=C/c1ccccc1 49032954 KFMVODFIRJNHQI-TWZSPHTKSA-N 260.333 2.589 0 1 CFAF biogenic,in-vitro COc1cccc2c(=O)c3c([nH]c12)O[C@H](C)C3(C)C 238786300 HDVMJEKNULKPRQ-MRVPVSSYSA-N 259.305 2.595 0 1 CFAF CC(=O)Oc1ccc2c(c1)[C@@]1(C)CCCC[C@@H](C2)[C@@H]1N 141708621 HRXCHWIFZNDHJN-RRQGHBQHSA-N 273.376 2.943 0 1 CFAF Cc1ncsc1[C@H](CO[N+](=O)[O-])c1ccccc1 95557247 BFKPJKKIGBBBBI-LLVKDONJSA-N 264.306 2.792 0 1 CFAF CCn1nc(C)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432529 QFFZSEDZIMQSQC-PXAZEXFGSA-N 298.342 2.709 0 1 CFAF CCc1ccccc1NC(=O)c1nc2ncc(F)cc2[nH]1 587241299 SQFVFDAZKDRCPT-UHFFFAOYSA-N 284.294 2.912 0 1 CFAF O=C(O)Cc1c(-c2ccncc2)[nH]c2cc(F)ccc12 587636963 QYLAEXFBIHZOGD-UHFFFAOYSA-N 270.263 2.996 0 1 CFAF NC1CCC(c2nc3c(Br)ccnc3[nH]2)CC1 587256669 MACLBZAXVUMFJY-UHFFFAOYSA-N 295.184 2.705 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C[C@@H]1CCCOC1)O2 587413993 UXMWBUBOPHFYDF-RYUDHWBXSA-N 275.348 2.728 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cncs1)O2 587412559 IZPLFGMKIGENIJ-CQSZACIVSA-N 274.345 2.914 0 1 CFAF O=C(O)/C=C/C=C\c1nc2cc(F)c(-n3cccn3)cc2[nH]1 587968744 PAXUNVABTAZBPI-AGRHYVPTSA-N 298.277 2.542 0 1 CFAF Cc1cnc2[nH]c([C@@H](C)n3cc(Cl)cn3)nc2c1 587081760 FEFYWZHLIQYNRP-MRVPVSSYSA-N 261.716 2.726 0 1 CFAF CC1(c2ccc3c(O)nc(O)nc3n2)CCCCC1 587561539 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CNC(=O)OCC[C@H](CCCc1ccccc1)N(C)C 473082965 ALBLPWJXHPQGKN-HNNXBMFYSA-N 278.396 2.686 0 1 CFAF CCOC(=O)C1=C(C)Nc2nccn2[C@@H]1c1ccsc1 653725603 WSXKKCJQQJKOBS-GFCCVEGCSA-N 289.360 2.797 0 1 CFAF COC(=O)CC[C@H](N)c1nc2cc3ccccc3cc2[nH]1 587260094 QBCOSBAYGNCLGT-LBPRGKRZSA-N 283.331 2.669 0 1 CFAF Cc1cc(C)c2[nH]c(Cc3cccnc3N)nc2c1 587253175 BPXLCHWTUUGNJW-UHFFFAOYSA-N 252.321 2.748 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccns1)O2 587414818 OUQGQTXZJWMVKV-LLVKDONJSA-N 260.318 2.740 0 1 CFAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3ncccc3[nH]2)cc1 587784065 DRMXJIASJDEZSI-QWHCGFSZSA-N 293.326 2.901 0 1 CFAF COc1ccc(C=O)c2cc(-c3nc4ncncc4[nH]3)oc12 586902851 CNLZAAARYZNDJF-UHFFFAOYSA-N 294.270 2.587 0 1 CFAF COc1cc2c3c(c1)O[C@H]([C@H]1CCC(C)(C)O1)[C@@H](C2)C3=O 587456221 TWBUMDKNAVPNPU-OZVIIMIRSA-N 288.343 2.769 0 1 CFAF CN(CCOc1cccc2c1CC(=O)N2)Cc1ccccc1 23355 ZCTQZPVZSXAFAK-UHFFFAOYSA-N 296.370 2.692 0 1 CFAF O=C1NC2(CCCCCC2)[C@@H]2CCCCCC[C@]12O 1620277 RHKYNGKMJNUJKI-XJKSGUPXSA-N 265.397 2.911 0 1 CFAF O=c1oc(-c2ccc(O)cc2)cc2cc(O)ccc12 6536323 BDNZCOHHHNRYSV-UHFFFAOYSA-N 254.241 2.871 0 1 CFAF CCc1ccccc1N[C@@H]1N=C2C=C(C)NN2S1 100475343 CSQCZZJEPOPBJM-CYBMUJFWSA-N 260.366 2.729 0 3 CFAF O=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1ccc(F)cn1 117732535 XLERWHSOVRHQPG-CYBMUJFWSA-N 299.349 2.940 0 1 CFAF CCCN(CCC)[C@@H]1Cc2cccn3ncc(c23)C1 29248046 NGFQETPADWIYMH-OAHLLOKOSA-N 257.381 2.924 0 1 CFAF Cc1cccc(C)c1COc1cccc(Cc2nnn[nH]2)c1 115623310 KJVQFGWUVANOSW-UHFFFAOYSA-N 294.358 2.986 0 1 CFAF COc1ccc2c(c1)CN(c1ccc(N(C)C)cc1)C2=O 29038407 WJVZYWHRBDCMMB-UHFFFAOYSA-N 282.343 2.922 0 1 CFAF OC12C[C@@H]3CC(C[C@@H](C3)C1)N2CCc1ccc(F)cc1 72142549 GPUFACMHGXJOBZ-CBHXASLJSA-N 275.367 2.951 0 1 CFAF N[C@@H]1C(=O)N(C2CCCCC2)[C@@H]1/C=C/c1ccccc1 72178348 YOVWMEGMFRDREP-OEPMCUGXSA-N 270.376 2.571 0 1 CFAF CC[C@@]12CC[C@H]3[C@H](C)CC[C@H]4CC(=O)O[C@@H](O1)[C@@]43O2 195241173 QNOOEARUAZQAMK-AWOLGQDMSA-N 266.337 2.607 0 1 CFAF C[C@H]1OC[C@@H]2[C@H]3C[C@H]4C5=Nc6ccccc6[C@]52CCN4C[C@@H]13 238769682 IZMNRMSNPWCOTC-PDVYZHLNSA-N 294.398 2.769 0 1 CFAF Cc1ccc(C)c2c1O[C@@]1(OC(=O)c3ccccc31)C2=O 95588551 KKMAPEHSILYSNX-KRWDZBQOSA-N 280.279 2.902 0 1 CFAF C[C@H]1O[C@@H](C(C)(C)C)CC2=C1C(=O)OC(C)(C)O2 95567176 WWOUMTNWQRUXPK-PSASIEDQSA-N 254.326 2.774 0 3 CFAF Cc1cc2cc(NC(=O)c3cccnc3N)ccc2[nH]1 618012460 GWHPATATCVJNBI-UHFFFAOYSA-N 266.304 2.706 0 1 CFAF c1ccc(CCN(c2ccccc2)C2CNC2)cc1 299828957 YEQRNZCSYYLDSS-UHFFFAOYSA-N 252.361 2.708 0 1 CFAF CCc1cc2c(O)nc(O)nc2nc1-c1ccc(F)cc1 587369683 NMBFLDJUYPXGJN-UHFFFAOYSA-N 285.278 2.805 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1cnc(C)s1)[C@@H](C2)C3=O 587448747 BWDZBYBHMFYTND-BONVTDFDSA-N 287.340 2.949 0 1 CFAF COC(=O)Nc1ccc(-c2nc3c(C)nccc3[nH]2)cn1 587245542 VKGQYBBXJJPWLF-UHFFFAOYSA-N 283.291 2.507 0 1 CFAF CNc1c(F)cccc1-c1nc2ccc(CO)cc2[nH]1 587135510 FEOSZLYIBHWIOK-UHFFFAOYSA-N 271.295 2.903 0 1 CFAF Oc1nc(O)c2ccc(-c3ccc(Cl)cc3F)nc2n1 587368114 ICCXHBPJLFRJEE-UHFFFAOYSA-N 291.669 2.896 0 1 CFAF CC[C@@H](C)c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 587956245 OZKJKNCTUAFEDD-MRVPVSSYSA-N 262.309 2.872 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccc(C)nc1)[C@@H](C2)C3=O 587436962 WLGJFMZUCLNOSF-SUMWQHHRSA-N 281.311 2.887 0 1 CFAF COc1cc2nc(C[S@@](=O)CC3CC3)[nH]c2cc1Cl 586958087 DCKWSCPIFLKBKD-IBGZPJMESA-N 298.795 2.884 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1cnn3C)O2 587390037 FJQXGZIVHUCFHF-QGZVFWFLSA-N 297.358 2.508 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC=Cn3ccnc31)O2 587394643 XMUMHRDVELCWPY-MRXNPFEDSA-N 281.315 2.509 0 1 CFAF CN1CCC[C@@H]1CCn1ncc2ccc(Cl)cc2c1=O 587655000 RITLWAMCRHMCCA-CYBMUJFWSA-N 291.782 2.534 0 1 CFAF CN(C)C[C@@H](O)[C@@H](c1ccccc1)c1cccs1 169314848 BPKWHOZTMDXXBA-UKRRQHHQSA-N 261.390 2.803 0 1 CFAF Cc1ccnc2c1CCN[C@@]2(C)c1cc(Cl)ccn1 963072573 MLVVDGIHALSCJA-HNNXBMFYSA-N 273.767 2.848 0 1 CFAF CC(=O)[C@H]1CC[C@@H](C)[C@H]1[C@H]1OC(=O)C=C1C(C)C 13311936 XFPNWKDJTKUHLJ-VGKMCQHDSA-N 250.338 2.746 0 1 CFAF COc1cc(OCC=C(C)C)c(O)c(OC)c1C(C)=O 14725148 HBQYZOFYBZWHKO-UHFFFAOYSA-N 280.320 2.957 0 1 CFAF C/C=C(\NC(=O)C[C@@H](C)CCCC(C)C)C(=O)O 26027078 JPKDLNFQMODFHC-KQDRGBMMSA-N 255.358 2.944 0 1 CFAF Clc1ccc(OC[C@@H]2NC3CCC2CC3)cn1 1659490 ATEUAWKVNGEVRY-CBINBANVSA-N 252.745 2.644 0 1 CFAF Cc1cnn([C@H](C)C2CC2)c1NC(=O)c1ncccc1O 55271721 SZTNKHGVGHHJQA-SNVBAGLBSA-N 286.335 2.515 0 1 CFAF O=C(O)C(=O)CC(=O)c1ccc(-c2ccccc2Cl)o1 28370174 GKIOHUBKQAKOEV-UHFFFAOYSA-N 292.674 2.827 0 1 CFAF O=C(c1cccnc1)c1ccc2oc(C(=O)O)cc2c1 29245475 UMHUDRLSQUJGEI-UHFFFAOYSA-N 267.240 2.757 0 1 CFAF CC(=O)Nc1cc(-c2ccco2)nc(-c2ccco2)n1 66100174 NZYYJYYUIUOBHV-UHFFFAOYSA-N 269.260 2.955 0 1 CFAF Cc1ccc(OCc2cccc3nc(N)nc(N)c23)cc1 28971654 NNGGSKKRDOMBMI-UHFFFAOYSA-N 280.331 2.682 0 1 CFAF O=c1c2ccccc2sn1CCCCN1CCCC1 29398676 NOWKSEIWUHENHE-UHFFFAOYSA-N 276.405 2.939 0 1 CFAF CO[C@@H]1c2ccccc2O[C@@H](c2ccc(O)cc2)[C@H]1O 2356530910 WEUGDDZMGUAOFB-OWCLPIDISA-N 272.300 2.574 0 1 CFAF CC1(C)C[C@@H]2C3=C(C(=O)O)CC[C@]3(C)[C@@H](O)[C@@H]2C1 2356721707 MRCMXACVBWPPKX-HOZXKAFVSA-N 250.338 2.595 0 1 CFAF CN1C(=N)N[C@@](c2ccccc2)(c2cccc(Cl)c2)C1=O 45290657 QWEOCJPATDOXQJ-INIZCTEOSA-N 299.761 2.580 0 1 CFAF CC(C)(C)[P@](=O)(c1ccncc1)N1CCCC1 37868893 RCOYOLLLPZYRFP-QGZVFWFLSA-N 252.298 2.879 0 1 CFAF COc1cc2ccnc3ccn(C)c(c1OC(C)=O)c23 39023090 UFIDUVNUKYFBPG-UHFFFAOYSA-N 270.288 2.660 0 1 CFAF CCOC(=O)[C@]12C[C@@]1(C)c1cc(Cl)ccc1NC2=O 34821454 POGSINAVXAORJZ-UONOGXRCSA-N 279.723 2.503 0 1 CFAF CCCCCc1cn(C[C@@H]2Cc3cc(C=O)ccc3O2)nn1 45287503 CTJIVISVEYYFHX-INIZCTEOSA-N 299.374 2.827 0 1 CFAF CCOC(=O)c1cc2c(N)c3c(nc2nc1C)CCCC3 49053372 XGQUEKANWWMGAJ-UHFFFAOYSA-N 285.347 2.576 0 1 CFAF C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CN2CC1CC1 84603099 LSQSRZOMUOOWDV-SSKCKEOISA-N 257.377 2.936 0 1 CFAF CCCCc1ccccc1COC(=O)[C@H](O)CC 95580321 BHCGTYSOEXZGEJ-CQSZACIVSA-N 250.338 2.843 0 1 CFAF CN1C(=O)CC[C@@H]2[C@@H]3CC[C@@]4(C)[C@@H](O)CC[C@@H]4[C@H]3CC[C@H]21 253635763 SQCYNKYOQAZHHL-DFEMOJLFSA-N 291.435 2.821 0 1 CFAF CC(=O)Nc1ccccc1Cc1nnc(O)c2ccccc12 473112871 GNRSTAJFUQFYAJ-UHFFFAOYSA-N 293.326 2.885 0 1 CFAF CSCC(C)(C)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 586969744 XDWFONBEOPSYMG-NSHDSACASA-N 278.381 2.927 0 1 CFAF CCCn1ccnc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432048 UAESBOJBJBWLBS-MLGOLLRUSA-N 298.342 2.790 0 1 CFAF C[C@H](Oc1ccccc1)c1ccc2c(O)nc(O)nc2n1 587556807 ZMQQXQVPIPHQKO-VIFPVBQESA-N 283.287 2.576 0 1 CFAF CC(C)=CCC/C(C)=C\c1nc2c(O)nc(=N)[nH]c2[nH]1 587967131 HNINAQCRAFYFMD-CLFYSBASSA-N 273.340 2.621 0 1 CFAF NC1CCC(c2nc3cncc(Cl)c3[nH]2)CC1 587256677 MKHFJMYYRHLGDW-UHFFFAOYSA-N 250.733 2.596 0 1 CFAF C[C@H](c1nc2cc3c(cc2[nH]1)OCO3)n1cc(Cl)cn1 587081858 HOESSJAUCHJINU-SSDOTTSWSA-N 290.710 2.751 0 1 CFAF C[C@@H](O)c1ncc(-c2nc3ccc(F)cc3[nH]2)s1 587022704 VLTPGANREQFEOY-ZCFIWIBFSA-N 263.297 2.879 0 1 CFAF CC[C@]1(C)C[C@@H]1c1nc2c(C(=O)OC)ccnc2[nH]1 586887396 GOVISIZIDRWRQZ-YMTOWFKASA-N 259.309 2.648 0 1 CFAF Oc1nc(O)c2ccc(-c3cc4ccccc4o3)nc2n1 587561658 UXGOPCFLOPUWEG-UHFFFAOYSA-N 279.255 2.849 0 1 CFAF COc1cnc(-c2nc3nc(C)ccc3[nH]2)cc1Cl 587065301 XMVZYDFPOCCFPS-UHFFFAOYSA-N 274.711 2.990 0 1 CFAF O[C@H]1CC[C@@H](c2nc3c(Cl)ccnc3[nH]2)CC1 586900008 ZEDNMLRTZZEZCF-OCAPTIKFSA-N 251.717 2.630 0 1 CFAF Cc1cc2[nH]c(-c3cc(N)c(N)cc3F)nc2c(C)n1 587137424 ZQBZZBGQQZUIGV-UHFFFAOYSA-N 271.299 2.545 0 1 CFAF CC(C)(C)OC(=O)Nc1cccc([C@@H](N)N=O)c1 957756702 JDMHBWDEHDVRHW-JTQLQIEISA-N 251.286 2.757 0 1 CFAF Cn1c(=O)c2nn(-c3ccccc3)cc2c2ccccc21 13672176 BWHJBMVFOYHLHQ-UHFFFAOYSA-N 275.311 2.877 0 1 CFAF Cc1cnc(NCCc2ccccc2)nc1-c1cnn(C)c1 19940057 VPRAFDZJOYOUDT-UHFFFAOYSA-N 293.374 2.840 0 1 CFAF CN1C(=O)NC(=O)[C@H]1c1cc(Cl)c(Cl)cc1Cl 169317126 PETPAOIRQNKHBG-MRVPVSSYSA-N 293.537 2.870 0 1 CFAF NC(=S)c1cccc(-c2cccc3[nH]c(CO)cc23)c1 1857617444 BMCWFLNYHXOGEI-UHFFFAOYSA-N 282.368 2.961 0 1 CFAF O=C1NC(=O)c2c1c1c(c3oc4ccccc4c23)CCC1 28568806 JKUCXPDIZSGEPM-UHFFFAOYSA-N 277.279 2.958 0 1 CFAF CCN1c2ncc(Cl)cc2C(=O)N(C)c2cccnc21 13452 YLXPDKXMSNKKBP-UHFFFAOYSA-N 288.738 2.878 0 1 CFAF COc1ccc([C@@H]2OC(c3ccncc3)=NN2C)cc1F 6002759 OLGDESGVPRPAQJ-HNNXBMFYSA-N 287.294 2.552 0 1 CFAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CCC[C@@]3(C)[C@@](C)(C4)[C@@]21O 2356372908 ORWWLYZBBATSFI-AYIVJZRTSA-N 264.365 2.650 0 1 CFAF CN(C)C(=O)CCC(=O)c1cccc(C(F)(F)F)c1 26838123 KAHHHNFAHOXGRZ-UHFFFAOYSA-N 273.254 2.757 0 1 CFAF CCN[C@@H](C)[C@@H](O)COc1cccc2ccccc12 28767307 FTEJULLHBGDCCA-WFASDCNBSA-N 259.349 2.578 0 1 CFAF CC1(C)O[C@@]2(C3CCCC3)CC[C@H]1[C@](N)(CCO)C2 2356615972 OESCHGIKLKFRTF-KBMXLJTQSA-N 267.413 2.604 0 1 CFAF COc1ccc2c(c1)[C@]13CCN(C)[C@H](C2)[C@H]1C[C@@H](C)C(=O)C3 29221292 ZLXURWCZUPCRCD-MYFFOXHASA-N 299.414 2.808 0 1 CFAF CCC[C@H](O)CC(=O)CCc1ccc(F)c(OC)c1 1911578890 XLNATXUHLCBFBF-LBPRGKRZSA-N 268.328 2.887 0 1 CFAF CCNC(=S)SCC(=O)c1ccc(OC)cc1 40975311 QBMCUBDJDLZMHL-UHFFFAOYSA-N 269.391 2.506 0 1 CFAF Fc1ccc(-c2ccc(N3CCOCC3)nc2)c(F)c1 45300103 FPHVWMHXCABZHO-UHFFFAOYSA-N 276.286 2.863 0 1 CFAF COC(=O)c1ccc(N2Cc3ccccc3CC2=O)cc1 621476561 UQXARMFGTVAQFF-UHFFFAOYSA-N 281.311 2.563 0 1 CFAF Cc1cc2nc(/C=C\S(C)(=O)=O)[nH]c2cc1Cl 586923852 YOJNPDNKHDFHSN-ARJAWSKDSA-N 270.741 2.540 0 1 CFAF COc1ccc(OC)c(-c2nc3ccc(C)nc3[nH]2)c1OC 587925616 DLXQTEFBTBAZBH-UHFFFAOYSA-N 299.330 2.959 0 1 CFAF CN(C)c1ccc(-c2nc3c(Cl)cncc3[nH]2)nc1 587194550 JKQHUGTYGRSDQM-UHFFFAOYSA-N 273.727 2.739 0 1 CFAF COc1cc2nc(C[S@](=O)CC3CC3)[nH]c2cc1C 586959198 MCZVNNNUVIYOIV-LJQANCHMSA-N 278.377 2.539 0 1 CFAF CCOC(=O)Cc1ccc2nc([C@@H](N)C(C)(C)C)[nH]c2c1 587258991 OVBZWDMNIRJVPE-CQSZACIVSA-N 289.379 2.714 0 1 CFAF COc1cc(/C=C/c2cc(=O)c(O)co2)cc(OC)c1 1857653798 XBVVTUKGYHGPKF-ONEGZZNKSA-N 274.272 2.533 0 1 CFAF C/C1=C/CC(=O)[C@@H](C)C[C@@H]2OC(=O)[C@@H](C)[C@@H]2CC1 14453721 KLZWSNKEPLKAOS-NPPSTUAASA-N 250.338 2.890 0 1 CFAF endogenous,in-man O=c1c2ccccc2nc(CF)n1-c1ccccc1 5934642 IZXPDYZJYDOFLO-UHFFFAOYSA-N 254.264 2.855 0 1 CFAF Cc1cc(C(=N)N)ccc1-c1cc2ccc(C(=N)N)cc2[nH]1 1857628408 WHKUSACFZNGXAE-UHFFFAOYSA-N 291.358 2.711 0 1 CFAF CN1C=C(c2ccccc2)[C@@H](c2ccccc2)[C@H](O)C1=O 3785676 INMHUVDZWKKAOF-SJORKVTESA-N 279.339 2.644 0 1 CFAF endogenous,in-man CCCOC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 57951839 SAUZKNLZCGQPTH-VOTSOKGWSA-N 280.320 2.679 0 1 CFAF CC(=O)N1N=C(c2ccc(F)cc2)O[C@@H]1c1ccco1 103222076 JDRJDLCGQCXLMV-CQSZACIVSA-N 274.251 2.658 0 1 CFAF Cc1cccc([C@@H]2N(c3ccccn3)C(=O)[C@H]3CCCN23)c1 58046626 MCYHUQWAHYKGDU-WBVHZDCISA-N 293.370 2.900 0 1 CFAF COc1ccc2[nH]cc(CCc3nnc(C)o3)c2c1 211360604 ZGFUHVGCOVQFNB-UHFFFAOYSA-N 257.293 2.653 0 1 CFAF O=c1cc(-c2ccc3c(c2)OCO3)oc2cc(O)ccc12 33848292 WTJCNOWJGPURDK-UHFFFAOYSA-N 282.251 2.894 0 1 CFAF C[C@@H](CCN1C(N(C)C)=NC[C@@H]1C)c1ccccc1 36386716 BXXUYOHEFKGDNZ-KBPBESRZSA-N 259.397 2.802 0 3 CFAF CC1=C[C@@H](C)[C@]2(CO)CO[C@H](c3cccnc3)[C@@H]1[C@H]2C 195350678 ZIVNUWICSJWDPM-GJVDQKBNSA-N 273.376 2.980 0 1 CFAF CC(C)N1CCC[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 49070560 QKHSYRCSYFWCMW-OBYDGYHJSA-N 290.451 2.800 0 1 CFAF COCC[C@@H]1C[C@H]1c1cncc(OC[C@@H]2CCCN2C)c1 96915345 QWEBUPURHNWVEK-UKPHBRMFSA-N 290.407 2.695 0 1 CFAF C/C1=C/C[C@H](O)[C@H](C)C[C@@H]2OC(=O)[C@H](C)[C@@H]2CC1 257470194 LAOQYXNUSDEVJK-SGIGIHQESA-N 252.354 2.681 0 1 CFAF endogenous,in-man Fc1ccc2c(c1)-c1cc(n(Cc3ccnnc3)n1)O2 587875967 WRVBFPMCQDQDBY-UHFFFAOYSA-N 268.251 2.633 0 1 CFAF OCC12CCC(c3nc4cccc(O)c4[nH]3)(CC1)CC2 586895606 PHELQLZFYSZWIN-UHFFFAOYSA-N 272.348 2.853 0 1 CFAF Cc1ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2n1 586900478 CNGORBVOICSJNW-TZMCWYRMSA-N 265.316 2.835 0 1 CFAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)N(C)C 587871210 CTSNXMSXUHNTOC-UHFFFAOYSA-N 277.299 2.618 0 1 CFAF COC(=O)[C@H]1CCCc2nc3cccc4c3c(c21)CC4 587213659 JVWBSNQNRZELPJ-LBPRGKRZSA-N 267.328 2.926 0 1 CFAF Oc1nc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cs1 587018344 VYXGXLSXZFOZEI-UHFFFAOYSA-N 289.213 2.948 0 1 CFAF Nc1ncnc2[nH]c(-c3csc4ccc(O)cc34)nc12 587032566 YKPBYWVVDSTGDU-UHFFFAOYSA-N 283.316 2.522 0 1 CFAF COC(=O)Cc1ccccc1-c1nc2ccc(O)cc2[nH]1 587783175 HHJWROAZLIGBCT-UHFFFAOYSA-N 282.299 2.651 0 1 CFAF Cc1c(Br)ccc2nc(CC3OCCO3)[nH]c12 586910181 NAPUFAXLDGEWCG-UHFFFAOYSA-N 297.152 2.549 0 1 CFAF CC(=O)c1ccc2nc([C@H](N)c3ccsc3)[nH]c2c1 587025760 QGHTVCIKJBOIBB-CYBMUJFWSA-N 271.345 2.875 0 1 CFAF CCCc1c(O)ccc2c1O[C@H](c1ccc(=N)[nH]c1)CC2=O 587472728 LVKFYQSFYKYBKO-HNNXBMFYSA-N 298.342 2.859 0 1 CFAF COc1cc(F)ccc1[C@@H]1NCCc2nc3ccccn3c21 962984602 NEWLKWHZZLJOIP-INIZCTEOSA-N 297.333 2.717 0 1 CFAF COC(=O)[C@@H]1CNCC[C@H]1c1ccc2ccccc2c1 13806638 SFKHGLPGUQXRDS-JKSUJKDBSA-N 269.344 2.706 0 1 CFAF CCN(CC)C(C)(C)OC(=O)c1ccc(N)cc1 13834846 GOCDOZYTLULUEG-UHFFFAOYSA-N 250.342 2.504 0 1 CFAF Cc1c(O)c2cccc3cccc(/c1=C\C(=O)O)c32 169712853 JGSJMVGXBIWVFV-JYRVWZFOSA-N 252.269 2.591 0 1 CFAF CC(=O)Oc1ccccc1SCCCCC(=O)O 13782101 LHKCNUYFTLSPGA-UHFFFAOYSA-N 268.334 2.959 0 1 CFAF C[C@H]1SC2=NCN(c3cccc4ccccc34)CN2C1=O 2471518 OVQDICPNEFUTQK-LLVKDONJSA-N 297.383 2.895 0 1 CFAF C[C@@H]1NC(=O)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1 3894959 RVDBJQXNFKPNRX-QANKJYHBSA-N 280.371 2.967 0 1 CFAF Cc1nc(C)c(COc2ccccc2C(=O)O)nc1C 103300853 UTOFFBULIMRRNF-UHFFFAOYSA-N 272.304 2.679 0 1 CFAF CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC)[C@@H]1CC 100035989 NNADEQPEAWEFMV-OKQWNRDOSA-N 267.325 2.740 0 1 CFAF CCN1Cc2ccccc2-c2ccccc2S1(=O)=O 61944714 NPPNGWRZMQNELA-UHFFFAOYSA-N 273.357 2.878 0 3 CFAF COc1cc2c(cc1Br)[C@H](C)[C@@H]1CNC[C@H]21 36270531 FSZFLFCDNDLXGV-BKDNQFJXSA-N 282.181 2.878 0 1 CFAF Oc1nnc2nc(-c3ccc(F)cc3)c3ccccc3n12 1911571683 ODKMNAYCPBLZRN-UHFFFAOYSA-N 280.262 2.789 0 1 CFAF Cc1ccnc(Nc2ncnc3cc4c(cc23)OCO4)c1 96914119 XHKIJRLDBJBUFH-UHFFFAOYSA-N 280.287 2.806 0 1 CFAF COc1cc2[nH]c(-c3ccc(CN=O)cc3)nc2cn1 587189875 HJBLWJFXSSUXLY-UHFFFAOYSA-N 268.276 2.900 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cncs1)[C@@H](C2)C3=O 587452426 MWHQPVXLFZPNDA-LKFCYVNXSA-N 273.313 2.640 0 1 CFAF C=CC(=O)Nc1ccc(-c2nc3cc(CO)ccc3[nH]2)cc1 587244175 MPEHAIIZOLEHKG-UHFFFAOYSA-N 293.326 2.847 0 1 CFAF O[C@H](c1nc2cc(F)cnc2[nH]1)c1ccccc1Cl 587059319 OKYXENLVAFPKDA-NSHDSACASA-N 277.686 2.832 0 1 CFAF Cc1ccc2[nH]c(-c3cccnc3N(C)C)nc2c1 587195922 ONJMXHPNANBABF-UHFFFAOYSA-N 252.321 2.999 0 1 CFAF CCOc1cc(-c2nc3cc[nH]c(=N)c3[nH]2)ccc1C 587779019 WUWBMYISORBSDJ-UHFFFAOYSA-N 268.320 2.745 0 1 CFAF Fc1cnc(Cl)c2[nH]c(-c3cnc(Cl)nc3)nc12 587085878 MBCQOVMLTGHNDC-UHFFFAOYSA-N 284.081 2.861 0 1 CFAF COc1ccc(O)c(-c2csc(-c3ncccn3)n2)c1 1857653194 ORDXBPSTCHURBM-UHFFFAOYSA-N 285.328 2.981 0 1 CFAF NC(=O)N1CCC[C@H](Cc2cccc3ccoc23)C1 1772612290 YXZPKCSYAVOCLS-LLVKDONJSA-N 258.321 2.766 0 1 CFAF c1cc(CC2CCC2)c2c(c1)N1CCNC[C@H]1CC2 1772588384 LABWPGUAXBMYED-OAHLLOKOSA-N 256.393 2.754 0 1 CFAF CCSc1ccc(OC)c2c1C[C@H]1OCCN(C)[C@@H]1C2 13449138 KODMAJGLVWLRBI-UKRRQHHQSA-N 293.432 2.605 0 1 CFAF COc1ccc2c(=O)cc(-c3ccccc3)[nH]c2n1 13579530 WWOBOTABDQDBGO-UHFFFAOYSA-N 252.273 2.599 0 1 CFAF CNC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C 13740269 VVUBAWQWFHXQPO-YJNKXOJESA-N 292.810 2.652 0 1 CFAF COc1ccc2ccc(=O)oc2c1C(CO)=C(C)C 14611048 KUVADPJAOZRLCV-UHFFFAOYSA-N 260.289 2.587 0 1 CFAF CC(C)[C@H](/C(O)=C/[N+]#N)N1C(=O)c2ccccc2C1=O 4338334 WDJBRBCUWNGFRG-SEVUFMINSA-O 272.284 2.560 0 3 CFAF Fc1ccc2c(c1)SC(=S)N1CCCN=C21 138132350 XDJQLZOPVNEPPF-UHFFFAOYSA-N 252.339 2.669 0 1 CFAF Cc1c2c(c3c([nH]c4ccccc43)c1C)C(=O)NC2=O 28568650 NUDJDUPVGVFDQO-UHFFFAOYSA-N 264.284 2.822 0 1 CFAF CC(C)(O)CCC[C@@]1(C)OC(=O)c2cc(O)ccc21 2356409212 CCQGRYZTOPBJQP-OAHLLOKOSA-N 264.321 2.719 0 1 CFAF C[C@@H]1CC(=O)N(C)N=C1/C=C/c1ccc(-n2ccnc2)cc1 27102997 IDNHHXDNCIWFGT-OQHXTRMZSA-N 294.358 2.740 0 1 CFAF CC(=O)OCC=C(C)CCC=C(C)[C@H](O)CC=C(C)CO 2356616232 SWPAEWHRBNFTCX-QGZVFWFLSA-N 296.407 2.912 0 1 CFAF O=C1NC[C@H](c2ccc(O)cc2)N1c1ccc2[nH]cnc2c1 116829159 CGPOLIDOBGOGKX-OAHLLOKOSA-N 294.314 2.539 0 1 CFAF Cc1cc2c(c(C)c1[C@H](CO)O[N+](=O)[O-])CC(C)(C)C2 2356818520 ODVBHTDOHFLJTC-ZDUSSCGKSA-N 279.336 2.670 0 1 CFAF NNc1ncnc2c1c1ccccc1n2-c1ccccc1 26672873 XJACLVBUCKYFEO-UHFFFAOYSA-N 275.315 2.859 0 1 CFAF CC(=O)[C@]12C[C@@H]3CCN(C(=O)N[C@H]1c1ccccc1)[C@@]32C 36382007 AQFFNFBQPXGTIM-NXNVCVFFSA-N 284.359 2.511 0 1 CFAF CCCC(=O)c1ccc(O[C@H]2CCOC2)c(OC)c1 40829574 OKZXIPCCQCIQRX-LBPRGKRZSA-N 264.321 2.846 0 1 CFAF c1cc([C@H]2CNCCO2)ccc1Nc1ccc2c(c1)OCO2 149986521 LFWYZARXTBIWQA-QGZVFWFLSA-N 298.342 2.820 0 1 CFAF COc1ccc(CSc2ccc3c(c2)C(=O)NC3=O)cc1 95577332 YSGUUOXLOOVUTJ-UHFFFAOYSA-N 299.351 2.871 0 1 CFAF CCC(CC)n1ncc2c(=O)[nH]c(C[C@H]3C=CCC3)nc21 146363236 KJPOHYCINXMVCC-NSHDSACASA-N 286.379 2.989 0 1 CFAF O[C@]12[C@H]3[C@@H]4[C@@H]5[C@@H]6C[C@@H]([C@H]53)[C@@H]1[C@@H]6[C@H]4N2Cc1cccc(Cl)c1 261160398 QSSZMHMBGVJKCS-OJDFKJTGSA-N 299.801 2.601 0 1 CFAF FC(F)(F)c1ncc2nc([C@H]3C[C@@H]3C(F)(F)F)nc-2[nH]1 587092333 DJFDIXAUZAKOJG-IMJSIDKUSA-N 296.174 2.989 0 1 CFAF C[C@H](CCC(=O)O)Cc1nc2cccc(F)c2[nH]1 587963122 NUYVKILZXGBLGO-MRVPVSSYSA-N 250.273 2.745 0 1 CFAF Nc1c(-c2nc3cncnc3[nH]2)ccc2ccccc12 587254249 XPNHBWWMWAUKAG-UHFFFAOYSA-N 261.288 2.755 0 1 CFAF Nc1ccc(/C=C/c2nc3nc(Cl)c[nH]c-3n2)cc1 587251426 GTUAOPWENLNMQG-ZZXKWVIFSA-N 271.711 2.711 0 1 CFAF N=c1ccc(Cc2nc3ccc4c(c3[nH]2)CCCC4)c[nH]1 587254825 QDGBAVRQNCYTBZ-UHFFFAOYSA-N 278.359 2.840 0 1 CFAF CC(C)[C@H]1C[C@]2(CCO1)NCCc1nc3ccccn3c12 962984290 CEJKHPJMKRLVGB-PBHICJAKSA-N 285.391 2.510 0 1 CFAF COc1cccc2c3c(cnc12)CCN[C@]3(C)[C@@H]1CCCO1 963032510 JNWZHQUJJAEXQM-MAUKXSAKSA-N 298.386 2.783 0 1 CFAF Cc1ccnc2c1CCN[C@@]21CC(=O)CC2(CCC2)C1 963073548 VKMMSYVPALHWHN-QGZVFWFLSA-N 270.376 2.654 0 1 CFAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1ncco1 963047388 OXWJUJPFMSUUHM-KRWDZBQOSA-N 295.342 2.641 0 1 CFAF C[C@H]1C[C@H](OC(=O)[C@@H](O)c2ccccc2)CC(C)(C)N1C 11680111 QSAVEGSLJISCDF-QEJZJMRPSA-N 291.391 2.525 0 1 CFAF in-man O=c1cc(Cc2ccc(O)cc2)oc2ccc(O)cc12 13797578 LSIKXKVRDNWDKN-UHFFFAOYSA-N 268.268 2.795 0 1 CFAF in-vivo O=C1C[C@H](c2ccc(O)cc2O)Oc2cc(O)ccc21 14806204 JBQATDIMBVLPRB-OAHLLOKOSA-N 272.256 2.510 0 1 CFAF CC[C@H]1O[C@@H](C2CC2)CC2=C1C(=O)OC(C)(C)O2 169303840 HHUWMKCWBYBJLX-NXEZZACHSA-N 252.310 2.528 0 3 CFAF NC(=S)c1cccc(-c2ccc(O)c3c2CC[C@@H]3O)c1 1857577101 WGINKKHVIRNTCZ-AWEZNQCLSA-N 285.368 2.673 0 1 CFAF Cc1ncc2cc(-c3ccccc3C)c(N)nc2n1 27299232 ICEHWCDNNLQEFX-UHFFFAOYSA-N 250.305 2.891 0 1 CFAF Cc1ccc([C@@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2C)o1 211758 LSOYDMRQIYOIDM-ZIAGYGMSSA-N 285.299 2.583 0 3 CFAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@H]1c1cccs1)O2 101501489 BFJBGRWXGVSGLZ-GMOBBJLQSA-N 252.335 2.572 0 1 CFAF O[C@H](COc1cccc2ccccc12)[C@H]1CCCCN1 26264304 HDRKGMUPXWTLAN-HZPDHXFCSA-N 271.360 2.722 0 1 CFAF CCCNC(=O)[C@]1(C)CCCN(Cc2ccsc2)C1 61906851 ZSYKWBLQJUVVKN-OAHLLOKOSA-N 280.437 2.876 0 3 CFAF O=C(O)c1csc(-c2cnc(-c3ccccc3)nc2)n1 118613395 UUEIQYWCIWMSBJ-UHFFFAOYSA-N 283.312 2.965 0 1 CFAF CC(C)COc1ccc(C[C@H]2SC(=O)NC2=O)cc1 26572653 LEPCFJPXFKDCQE-GFCCVEGCSA-N 279.361 2.616 0 1 CFAF COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCC3)c12 224878363 NTJLGQBTTOSVMD-UHFFFAOYSA-N 298.321 2.983 0 1 CFAF COC(=O)c1ccnc2[nH]c(C3(F)CCCCC3)nc12 587132768 UVPKGWANXXYAKG-UHFFFAOYSA-N 277.299 2.873 0 1 CFAF Cc1cnc2[nH]c([C@H]3C[C@@H](O)c4ccccc43)nc2c1 586903886 QVMKGWFQVIUABC-GXTWGEPZSA-N 265.316 2.835 0 1 CFAF Cc1cnc(Cl)c2[nH]c([C@@H](N)C(C)(C)C)nc12 587257847 PWNMCLGHGQMJPY-SECBINFHSA-N 252.749 2.966 0 1 CFAF Cc1nccc2nc(C3=Cc4cccc(O)c4OC3)[nH]c12 586909439 YVQVCQZGDZFYSS-UHFFFAOYSA-N 279.299 2.905 0 1 CFAF Cc1nc2nc(O)nc(O)c2cc1[C@@H](C)CC(C)C 587560477 CFBRFSBATNQCIR-QMMMGPOBSA-N 261.325 2.894 0 1 CFAF CC(=O)Nc1cccc(Cc2nc3c(C)nccc3[nH]2)c1 587242891 XEBXTNDCBACCOL-UHFFFAOYSA-N 280.331 2.816 0 1 CFAF N[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)N=O 957623011 BVZSUYRQFVEUPF-QMMMGPOBSA-N 295.648 2.739 0 1 CFAF COc1cc2c(cc1OC)[C@](C)([C@@H](C)N=O)N(C)[C@H](C)C2 962626835 GGHMRZBTGFEWDO-UVWXRNBGSA-N 292.379 2.950 0 1 CFAF CC(C)c1ccc(C(=O)N[C@H]2CN3CCC2CC3)cc1 13608961 DKLRPVGGJHHPSS-INIZCTEOSA-N 272.392 2.634 0 1 CFAF Oc1c(Cc2cnc[nH]2)[nH]c(=S)n1-c1ccccc1 169691820 SFSYNUWJWGERNI-UHFFFAOYSA-N 272.333 2.554 0 1 CFAF CC(=O)NC1=NN(c2ccc(Cl)c(Cl)c2)C[C@H]1C 1857543460 QTCFKQLUDHRFHP-SSDOTTSWSA-N 286.162 2.899 0 1 CFAF c1ccc(CN2c3ccccc3C[C@@H]2C2=NCCN2)cc1 29337292 HSCMVYRTOPBJCA-QGZVFWFLSA-N 277.371 2.620 0 1 CFAF Cc1ccc(C(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)cc1 1328458 MMYCUCNZEYAJPJ-CYBMUJFWSA-N 295.338 2.992 0 3 CFAF C[C@H]1C=C(c2ccc(Br)cc2)C(=O)O1 3654467 RRKMOJGORKNBGP-ZETCQYMHSA-N 253.095 2.778 0 1 CFAF c1ccc(C[C@H]2[C@@H]3CC[C@H](C3)[C@H]2NC2=NCCO2)cc1 101216943 NUMRIDYCRYHYHT-LVQVYYBASA-N 270.376 2.620 0 1 CFAF CCOC(=O)[C@@H]1[C@H]2C=C[C@@H](CC2)N1c1ccccc1 101766635 NLRFKXAWPLOXQO-QEJZJMRPSA-N 257.333 2.773 0 3 CFAF CS(=O)(=O)c1ccc(Nc2ccc(F)cc2)cc1 64479826 QTRCGPBYCSHGJM-UHFFFAOYSA-N 265.309 2.973 0 1 CFAF in-vivo O[C@H]1CCCN(c2[nH]ccc3c4ccccc4nc2-3)C1 101017848 RAIPGQNUJQXFRA-NSHDSACASA-N 267.332 2.629 0 1 CFAF CC(=O)OCC1=C2C=C3[C@H](C)CCC[C@@]3(C)C[C@H]2OC1=O 2356498609 CZLXFQZSUNNOPS-FNDUUJAJSA-N 290.359 2.928 0 1 CFAF CCCCC/C=C/C(=O)N1CCC[C@H]1C(=O)N1CCCC1 29413958 KACBDOGZFUPHGV-VQCVXAJWSA-N 292.423 2.736 0 1 CFAF CC(=O)O[C@@H](C=Cc1ccccc1)C[C@@H]1CC=CC(=O)O1 2356627023 TYMKVQRXYUDCIH-HOTGVXAUSA-N 286.327 2.893 0 1 CFAF C[C@]12CCC(=O)C[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@@](O)(CO)C3 2356699113 DNACOAAHNFXRTM-KCXBPWCKSA-N 292.419 2.686 0 1 CFAF CC(C)=CCc1[nH]c2ccccc2c1C[C@H](N)C(=O)O 64393146 HWPSCUDNNXHXQJ-ZDUSSCGKSA-N 272.348 2.631 0 1 CFAF CCCN1C[C@@H](Oc2cccc(Cl)c2)C[C@H]1C(=O)O 71341061 UZEDYVYYXCCMLX-STQMWFEESA-N 283.755 2.656 0 1 CFAF O[C@H](c1ccncc1)c1ccc(OCCN2CCCC2)cc1 34421618 QQRJWLDQBNAQCC-SFHVURJKSA-N 298.386 2.638 0 1 CFAF Clc1cc(Cl)cc(-n2cc(C3=NCCN3)cn2)c1 73161947 HDUSZCFBMSFIND-UHFFFAOYSA-N 281.146 2.529 0 1 CFAF CNC[C@H](O)[C@@H](c1ccccc1)n1ccc2ccccc21 34619308 ANOKEIWYHCYLAM-ZWKOTPCHSA-N 280.371 2.811 0 1 CFAF CCOC(=O)C1=CC[C@H](c2cc3ccccc3[nH]2)NC1 34131730 XUNYHEYETPUVQR-CQSZACIVSA-N 270.332 2.692 0 3 CFAF COc1ccc2[nH]cc(C3(CNC(C)=O)CCC3)c2c1 35976966 FDOBOLNSLOPABE-UHFFFAOYSA-N 272.348 2.734 0 1 CFAF O=c1c2c([nH]c3ccc(O)cc13)-c1ccccc1CC2 40762600 PHAHLRQPZOHLEI-UHFFFAOYSA-N 263.296 2.999 0 1 CFAF Cc1noc(C)c1CC(=O)NCc1ccc(F)c(F)c1F 84690923 ARXJOBQZTFDFQI-UHFFFAOYSA-N 298.264 2.568 0 1 CFAF O=C(Cc1c[nH]c2ccccc12)[C@H](O)Cc1ccc(O)cc1 96921633 KRSNVUPLMVRORR-QGZVFWFLSA-N 295.338 2.589 0 1 CFAF Cc1cc(O)c(=O)c(O)cc1C(=O)C1CCCCC1 299841354 ZJHYZRQNNKBJFL-UHFFFAOYSA-N 262.305 2.529 0 1 CFAF COc1nn(Cc2ccccc2-c2ccccc2)c(=O)o1 473136296 PNTBXLDGGPRAIR-UHFFFAOYSA-N 282.299 2.560 0 1 CFAF Oc1c(F)cc(F)cc1-c1nc2cc3c(cc2[nH]1)OCO3 587134373 PULRCAGSWQXDRG-UHFFFAOYSA-N 290.225 2.942 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CC1CCOCC1)O2 587413062 PLNJLFMYLNPLKF-GFCCVEGCSA-N 275.348 2.728 0 1 CFAF COC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587520483 CSWZAQDLNKVRBV-INIZCTEOSA-N 260.333 2.936 0 1 CFAF NC1CCC(c2nc3c(Cl)ccnc3[nH]2)CC1 587256907 UUAFBTMXOYKQAP-UHFFFAOYSA-N 250.733 2.596 0 1 CFAF O=C(CCc1ccccc1)c1nc2cc(CCO)ccc2[nH]1 587954001 YJGOOUPXALYCLV-UHFFFAOYSA-N 294.354 2.913 0 1 CFAF COc1cncc(N)c1-c1nc2c(C)ccc(C)c2[nH]1 587253710 GZNYJHINSVJWTK-UHFFFAOYSA-N 268.320 2.833 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(CO)c1)O2 587402765 CARKEVYZKOIVAL-SFHVURJKSA-N 297.354 2.950 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1ccn(C)c1)[C@@H](C2)C3=O 587430949 LFSUQPVPTNRPOO-SUMWQHHRSA-N 283.327 2.697 0 1 CFAF Nc1ccc(F)c(Cc2nc3cc4c(cc3[nH]2)OCCO4)c1 587141801 CBRHLTDKVNAMCE-UHFFFAOYSA-N 299.305 2.646 0 1 CFAF CC(C)[C@@H](c1nc2cc3c(cc2[nH]1)OCCO3)N(C)C 587198208 BTJXCYRDLVCYPC-AWEZNQCLSA-N 275.352 2.593 0 1 CFAF CC[C@@H](C)[C@]1(C(=O)O)NCCc2cc(C)c(F)cc21 962298437 MBNMCEMWTDHPAW-BMIGLBTASA-N 265.328 2.606 0 1 CFAF CO[C@@H]1C[C@@H]2CN(C(=O)c3ccc(C)s3)C[C@@H]2C1 1857604516 SLONIYRZIOUDLY-ZSBIGDGJSA-N 265.378 2.554 0 1 CFAF Cc1c(C(=O)c2ccno2)c(S)nn1-c1ccccc1 169346044 BQGLEDNGDHQNTP-UHFFFAOYSA-N 285.328 2.688 0 1 CFAF CC1(N=c2nc(-c3ccncc3)[nH]c3cnccc23)CCC1 1857566557 KWOCVIVWJGXOCX-UHFFFAOYSA-N 291.358 2.863 0 1 CFAF O=C1c2cc(O)ccc2CC[C@@H]1Cc1ccncc1 13824082 XWSFHWMUYSQTSF-CYBMUJFWSA-N 253.301 2.775 0 1 CFAF COc1cccc(-c2cc(=O)c3ccc(C)nc3[nH]2)c1 6488316 UEXKSRLFFBWLCG-UHFFFAOYSA-N 266.300 2.907 0 1 CFAF CCOc1n/c(=N\c2ccc(Cl)cc2)sn1C 103179833 ODONVSXDSREWEK-JLHYYAGUSA-N 269.757 2.766 0 1 CFAF CC(=O)n1nc(-c2ccc(C(F)(F)F)cc2)nc1C 27080656 MOMWQNHFWGJFEQ-UHFFFAOYSA-N 269.226 2.932 0 1 CFAF CC(=CC(=O)O)[C@@H]1CC2=CCCC(C)(C)[C@@H]2[C@H]1O 2356438449 GNCWMCSOOYUYGR-UBHSHLNASA-N 250.338 2.761 0 1 CFAF O[C@H](c1ccc(Cl)cc1)[C@H]1CC2CCN1CC2 29546589 OXTQZTKEXBFDAA-ZIAGYGMSSA-N 251.757 2.858 0 1 CFAF CC(C)NC(=O)CNc1nc(-c2cccc(F)c2)cs1 82192039 NFZKUCZFGNWFSY-UHFFFAOYSA-N 293.367 2.886 0 1 CFAF CCN1C=C2C(=NC[C@H]2O)c2ccc(-c3ccncc3)cc21 26571776 QVBFUPWFRCXJHR-QGZVFWFLSA-N 291.354 2.636 0 1 CFAF CC(=O)OC[C@](C)(O)[C@@H]1C=C[C@@](C)(O)CCC=C(C)CC1 2356549124 RTFVWCRRSNVOBR-ULQDDVLXSA-N 296.407 2.744 0 1 CFAF Cc1cc(O)c([C@]2(C)C[C@H](O)CC2(C)C)cc1O 2356855359 RCNJFXVTFBBMKY-BMIGLBTASA-N 250.338 2.845 0 1 CFAF COc1ccc2c(c1)nc(NC(=O)c1ccccc1)n2C 211561996 OJGUQVZXLSRFFP-UHFFFAOYSA-N 281.315 2.834 0 1 CFAF Cc1ccc2c(c1)O[C@@]1(OC(=O)c3ccccc31)C2=O 95591904 HMKFDZUHYBHVTP-INIZCTEOSA-N 266.252 2.594 0 1 CFAF COc1ccc([C@H]2C[C@H](O)C[C@@H]3CCCCN32)cc1OC 238745758 YEFMCXAZLNBVEN-RRFJBIMHSA-N 291.391 2.754 0 1 CFAF Oc1ncnc2[nH]c(/C=C\c3ccc(F)cc3F)nc12 587152157 ZULABRWPNQXSMK-RQOWECAXSA-N 274.230 2.507 0 1 CFAF O=C(O)c1cccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c12 586904877 WDHHBJSIKHWPAH-TZMCWYRMSA-N 294.310 2.830 0 1 CFAF O=C1CCC[C@H](c2nc3cc4c(cc3[nH]2)OCO4)CC1 586888029 VXNGXHAMXWNXRY-VIFPVBQESA-N 272.304 2.908 0 1 CFAF COc1c(F)cc(-c2nc3cncc(OC)c3[nH]2)cc1F 587134838 ONEMNPTUKCANQI-UHFFFAOYSA-N 291.257 2.920 0 1 CFAF Clc1ccc(C2=C[C@@H](c3nc4cncnc4[nH]3)ON2)cc1 587075701 HBWQXWXNTHMIQA-LBPRGKRZSA-N 299.721 2.623 0 1 CFAF Cc1ccc(C)c(Cc2nc3cccc(C(N)=O)c3[nH]2)c1 587959243 OCJMYSTZHVWMPB-UHFFFAOYSA-N 279.343 2.869 0 1 CFAF Oc1nc(O)c2ccc(C3CCC(F)(F)CC3)nc2n1 587368496 RELZHNYVKKTDGG-UHFFFAOYSA-N 281.262 2.729 0 1 CFAF Cc1nc(C)c(Cc2nc3ccc(C(=O)O)cc3[nH]2)s1 587011082 CASVFYRZZYDGHO-UHFFFAOYSA-N 287.344 2.925 0 1 CFAF CCOC(=O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525168 SQQDXIIBZROXII-QGZVFWFLSA-N 288.343 2.852 0 1 CFAF CC[C@H]1OCCC[C@@H]1c1nc2cc(OC)ncc2[nH]1 586914271 VAKMJMVVBIIZPV-JOYOIKCWSA-N 261.325 2.639 0 1 CFAF Cc1c(F)ccc2c1[C@]1(CCC[C@@H]1CN(C)C)NCC2 962141102 BEZLZRIOXIEYQT-RHSMWYFYSA-N 276.399 2.837 0 1 CFAF COc1c(O)ccc([C@@H]2COc3cc(O)ccc3C2)c1O 14758757 HIUVABMNNOEWCC-JTQLQIEISA-N 288.299 2.531 0 1 CFAF CC12CC34CN(C(=N)N)CC35CC1(C)C(C)(C5)C2(C)C4 169332593 FOBQGDGHXQVYIG-UHFFFAOYSA-N 273.424 2.808 0 1 CFAF COC(=O)C/C=C1/c2ccc3c(c2[C@H](OC)[C@@H]1C)OCO3 169356256 ZQDNTSRZBRBSHA-IRUQCITCSA-N 290.315 2.699 0 1 CFAF Cc1sc2c(c1C)C(=O)N[C@@H](c1cccc(O)c1)N2 174024 JDJIOGOQOSIXLO-GFCCVEGCSA-N 274.345 2.925 0 3 CFAF CCCc1cc2c(cc1O)O[C@H](C)[C@@H](n1ccnc1)C2=O 27331250 FEKOZEVFHOOMHA-MEBBXXQBSA-N 286.331 2.746 0 1 CFAF COc1ccc(NC(=O)CC23CCCN2CCC3)cc1 27846895 TZRQVEYKCQJWBK-UHFFFAOYSA-N 274.364 2.652 0 1 CFAF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)O)[C@H](c1ccc(Cl)cc1)C2 100773476 WBQWEXIOQUVCHG-RQJABVFESA-N 279.767 2.991 0 1 CFAF OCCN(CCO)C[C@H](c1ccccc1)C1CCCCC1 26013893 UWGFYSKCQKDDDJ-GOSISDBHSA-N 291.435 2.637 0 1 CFAF CN1CCC[C@]1(C)C(=O)NCc1ccc(F)cc1Cl 61906868 UBSOQLCXJIBHKC-CQSZACIVSA-N 284.762 2.580 0 3 CFAF CCOC(=O)[C@H]1C[C@]12C(=O)Nc1ccc(-c3ccco3)cc12 34817207 AFJKGCMRAXGWHL-SJKOYZFVSA-N 297.310 2.720 0 1 CFAF CC[C@@]1(CC(=O)O)OCCc2c1[nH]c1cc(F)ccc21 39198743 XCVVHOFGERLRDI-HNNXBMFYSA-N 277.295 2.960 0 1 CFAF Cc1cc(-c2n[nH]c(-c3ccnc(Cl)c3)n2)ccn1 49033126 UGTYPRAMKKJBJA-UHFFFAOYSA-N 271.711 2.891 0 1 CFAF CC[C@H](C)Nc1nc(N2C[C@H](C)O[C@@H](C)C2)ncc1C 299876890 GKZNSXCMUFMPLV-AVGNSLFASA-N 278.400 2.609 0 1 CFAF c1cnc2[nH]c(C[C@@H]3OCCc4ccsc43)nc2c1 587035553 SKOYMSRRORXOIS-NSHDSACASA-N 271.345 2.876 0 1 CFAF CCn1ncc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C 587391166 LFGKJCNZNAOKHU-KRWDZBQOSA-N 299.374 2.983 0 1 CFAF CC[C@]1(C)C[C@@H]1c1nc2nc(Br)c[nH]c-2n1 586890370 OQSZOMYTVPCNNI-KSBSHMNSSA-N 281.157 2.971 0 1 CFAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C)O)N1 587824982 FBQBPRXTUOQBIQ-QHMRUWFYSA-N 288.160 2.544 0 1 CFAF Oc1nncc2[nH]c(-c3ccc(OC4CCC4)cc3)nc12 587951556 OQLLLQSLDACNNJ-UHFFFAOYSA-N 282.303 2.657 0 1 CFAF CC[C@H]1CCC(=O)[C@@]12NCCc1ccc(F)c(C)c12 962296195 FLABUZXZSATAPF-LRDDRELGSA-N 261.340 2.864 0 1 CFAF CC(C)c1nn(C)c2c1[C@H]([C@H](C)C(F)(F)F)NCC2 962914202 DENZDKBYUQCDFI-UFBFGSQYSA-N 275.318 2.929 0 1 CFAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@H]1OC[C@@H]2O 169345315 JHBGIEZIDJQZJI-DMRKSPOLSA-N 274.360 2.598 0 1 CFAF Clc1ccccc1OC1CCN(c2nccnn2)CC1 165456510 HHNRSGMHLOUJIQ-UHFFFAOYSA-N 290.754 2.573 0 1 CFAF COc1c(C)c(CC=C(C)C)cc(C(=O)O)c1O 200011496 YDKJPCIHBDXAFA-UHFFFAOYSA-N 250.294 2.916 0 1 CFAF Cc1cccc(S(=O)(=O)Nc2cccc3cccnc23)n1 205636705 MKNSAENHMVEXGH-UHFFFAOYSA-N 299.355 2.739 0 1 CFAF CN(C)c1ncnc2c1ncn2[C@@H]1CCCc2ccccc21 25974526 JBKQSQZNQALUHH-CQSZACIVSA-N 293.374 2.818 0 1 CFAF Fc1cccc2[nH]cc3nc(-c4ccon4)nc-3c12 100774035 OOXMIEYFFPTZOO-UHFFFAOYSA-N 254.224 2.857 0 1 CFAF N[C@H](C(=O)Nc1ccc2cnccc2c1)c1ccccc1 115225464 FCVSCBFMVWNZGA-INIZCTEOSA-N 277.327 2.873 0 1 CFAF COc1ccc(C=Cc2cc(OC)cc(=O)o2)c(OC)c1 2356725234 AKMMSYGGUVGJEE-UHFFFAOYSA-N 288.299 2.836 0 1 CFAF CC1=CCC[C@H](C)[C@]1(C)CCC1=C[C@@H](O)OC1=O 2356808190 YOABPNKAIQIASF-CORIIIEPSA-N 250.338 2.951 0 1 CFAF Cc1ccc2nc(-n3c(=O)[nH]c4ccccc43)oc2c1 26650179 YHZXFRGWTKYPKS-UHFFFAOYSA-N 265.272 2.768 0 1 CFAF Cc1ccc(-c2cn(CCN)c(-c3ccncc3)n2)cc1 36387382 OVXVKSSSIWJPTO-UHFFFAOYSA-N 278.359 2.879 0 3 CFAF Fc1ccc2c(c1)CC[C@@H](c1nnc(-c3cnccn3)o1)O2 1911574032 JAZPQLVKQOMQRG-ZDUSSCGKSA-N 298.277 2.732 0 1 CFAF Cc1cccc(Cl)c1CNC(=O)Cc1c(C)n[nH]c1C 84690670 YGEVUGANRAVMCQ-UHFFFAOYSA-N 291.782 2.847 0 1 CFAF CCCCCCc1cnc2nc(N)nc(N)c2c1C 45168782 IUEHEEWGLUSQHL-UHFFFAOYSA-N 259.357 2.620 0 1 CFAF COc1cccc([C@H]2CC(OCCF)=CC(=O)O2)c1 95569069 DDDXPPOMXLUYQU-CYBMUJFWSA-N 266.268 2.553 0 3 CFAF CN1CCO[C@](O)(c2ccc(C3CCCCC3)cc2)C1 473122294 IVIZMNTXSFEUDG-KRWDZBQOSA-N 275.392 2.841 0 1 CFAF Cc1ccc(-c2cnc(C3CCC3)o2)cc1S(N)(=O)=O 473128455 BRRDJFXMUYHUPY-UHFFFAOYSA-N 292.360 2.565 0 1 CFAF Nc1ccc(C(=O)CCc2nc3cccc(O)c3[nH]2)cc1 587252088 VTRMMYKDEDDRLL-UHFFFAOYSA-N 281.315 2.666 0 1 CFAF C[C@H](F)[C@H](N)c1nc2cccc(C(F)(F)F)c2[nH]1 587123969 LVXDUKPCYKIISA-XNCJUZBTSA-N 261.222 2.940 0 1 CFAF FC(F)(F)c1cnc2[nH]c(C3=COCC3)nc2c1 586913920 VNLUENWPHFTOMI-UHFFFAOYSA-N 255.199 2.738 0 1 CFAF CC(C)Oc1ccc2nc([C@H](N)[C@H](C)F)[nH]c2c1 587122538 FBWUNFXFJVMPCW-QPUJVOFHSA-N 251.305 2.708 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C1(O)CCCC1)O2 587403820 LSCXQHZKYXGDKF-OAHLLOKOSA-N 275.348 2.606 0 1 CFAF Cc1nc(-c2c[nH]cc2-c2nc3c(N)ccnc3[nH]2)cs1 587022455 YMJDMNIDRARKNZ-UHFFFAOYSA-N 296.359 2.967 0 1 CFAF CCSCC[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587451024 IBPDGGYYGJXRBI-NWDGAFQWSA-N 278.373 2.954 0 1 CFAF COc1cccc2cc(-c3ccc(Cl)nn3)c(=O)oc12 1857763891 JTNLHIVGQSXMHQ-UHFFFAOYSA-N 288.690 2.912 0 1 CFAF O=S1(=O)N=C(/C=C/c2ccccc2)Nc2ccccc21 424602 HDEOMXJXOCDQIU-ZHACJKMWSA-N 284.340 2.913 0 1 CFAF Oc1ccc(C2=COc3cc(O)ccc3C2)c(O)c1 14811652 DJJQWLWXJHJPIH-UHFFFAOYSA-N 256.257 2.779 0 1 CFAF biogenic,in-vitro COc1ccc(/C=C/c2cc(O)cc(O)c2)cc1N 27107323 ZEGFMANMSVXUMV-NSCUHMNNSA-N 257.289 2.859 0 1 CFAF O=C1NCCOc2ccc(OCc3cccc(F)c3)cc21 103280288 RGZLKWBJAGAJJE-UHFFFAOYSA-N 287.290 2.527 0 1 CFAF CO[C@@]1(C)CC[C@@H]2[C@@H]3[C@H](NC(=O)[C@H](C)[C@@H]3CC[C@H]2C)O1 27560312 DXARRUAXLWZAIN-JXWZREARSA-N 281.396 2.530 0 1 CFAF O[C@@H](CN1CCCCCC1)C1=COc2ccccc2O1 28087661 MCTRYZVLYBCYQX-ZDUSSCGKSA-N 275.348 2.536 0 1 CFAF CC1=CCC(=O)[C@H](C)C[C@@H]2OC(=O)[C@@H](C)[C@H]2CC1 2356618248 KLZWSNKEPLKAOS-CZXHOFHRSA-N 250.338 2.890 0 1 CFAF COC(=O)[C@H](C)CCC[C@](C)(O)[C@@H]1CC[C@@](C)(O)[C@H]1C 2356793993 HRHABFVVFDETJB-RHBQXOTJSA-N 286.412 2.514 0 1 CFAF CCOC(=O)/C(C)=C\c1ccc(Cc2cccnc2)n1C 28010706 ORLMONVGSRAUGM-RAXLEYEMSA-N 284.359 2.977 0 1 CFAF O=C1COCc2cc(Br)ccc2N1CC1CC1 74375159 UDSOHDXYAYYZMY-UHFFFAOYSA-N 296.164 2.722 0 3 CFAF CN(C)CCNc1nccc2[nH]c3ccccc3c12 40957736 NOTJIIKMZYBXOX-UHFFFAOYSA-N 254.337 2.690 0 1 CFAF COc1cccc(-c2cc(NCC3CC3)ncn2)c1 82160857 VYHZXCGUEFVDMB-UHFFFAOYSA-N 255.321 2.974 0 1 CFAF C[C@]1(c2cccc(-c3cncnc3)c2)N=C(N)CCS1 96906016 JSYIAPKPQCPSGC-HNNXBMFYSA-N 284.388 2.810 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)N(C3CC3)C1)O2 587396951 YAMKAKLAVNXLPN-GTNSWQLSSA-N 286.375 2.538 0 1 CFAF OCc1ccc(F)c(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 587141161 YNCCZYVEWUTPTE-UHFFFAOYSA-N 282.278 2.738 0 1 CFAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H](O)C3 587206319 HSSYPSXDZTWFAT-SNVBAGLBSA-N 287.318 2.906 0 1 CFAF Cc1c([C@H](C)CN(C)C)[nH]c2ccc(S(C)(=O)=O)cc12 587650853 VQSIFFVYEIKGBF-SNVBAGLBSA-N 294.420 2.545 0 1 CFAF CC(C)(CC(=O)O)Cc1nc2ccnc(Cl)c2[nH]1 587955497 KZUQONKEUXNZPY-UHFFFAOYSA-N 267.716 2.655 0 1 CFAF Cc1nccc2[nH]c(/C=C/S(=O)(=O)c3ccccc3)nc12 586925160 WPPXKLBUGRDHEQ-CSKARUKUSA-N 299.355 2.711 0 1 CFAF COc1cc2c3c(c1)O[C@@H](C1CCSCC1)[C@@H](C2)C3=O 587449648 BZCIFTJRUXZOGP-LRDDRELGSA-N 290.384 2.954 0 1 CFAF NC[C@H]1C[C@H]2c3ccccc3Cc3ccccc3N2O1 13436902 YRZFLXOYFQEHFH-PBHICJAKSA-N 266.344 2.801 0 1 CFAF C[C@@H](NC(=O)OCCCc1c[nH]cn1)C(C)(C)C 13490992 RVNLVECYTMCMTN-SNVBAGLBSA-N 253.346 2.503 0 1 CFAF COc1ccccc1[C@@H]1CC(c2ccccc2)=NN1C(=N)N 1857761625 LJLLTQNLWPDNNO-HNNXBMFYSA-N 294.358 2.740 0 1 CFAF 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285.278 2.941 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cccn1C)[C@@H](C2)C3=O 587431114 MVMPUVCIXIZVQC-MEDUHNTESA-N 269.300 2.522 0 1 CFAF N[C@H](Cc1nc2ccnc(O)c2[nH]1)c1ccccc1Cl 587057880 SKMTVYCYCPUVNZ-SNVBAGLBSA-N 288.738 2.559 0 1 CFAF O=C1C[C@@]2(CCNC[C@H]2F)Oc2c1ccc1c2CCCC1 587508744 QHGVXJLSTZJGGH-NVXWUHKLSA-N 289.350 2.601 0 1 CFAF COc1cncc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c12 586883580 CEYVODFGKZHPOJ-OUAUKWLOSA-N 283.331 2.605 0 1 CFAF COc1cc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2cn1 586900448 CBXFCSQOWMGFAU-SMDDNHRTSA-N 281.315 2.536 0 1 CFAF COc1cc(OC)c2[nH]c(C[C@@H]3CCC(=O)[C@H]3C)nc2c1 587963715 QZKKGIHSUGVWHP-UWVGGRQHSA-N 288.347 2.738 0 1 CFAF CC[C@]1([C@@H]2CCOC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587454400 TZCAPSKMESSABL-CJBNDPTMSA-N 288.343 2.628 0 1 CFAF Cc1sc2c(c1C)CCN[C@@]2(C)C1=CNCCC1 963023072 LBOHNMCWNDFWTA-HNNXBMFYSA-N 262.422 2.993 0 1 CFAF Cc1nnc2c3ccccc3c(OCc3ccccn3)nn12 13560001 NEOJJVVOYKDEHZ-UHFFFAOYSA-N 291.314 2.560 0 1 CFAF Cn1c2c(ccc1=O)[C@H](NCCCc1ccccc1)CCC2 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Fc1cccc([C@@H]2C[C@@H]2c2nc3cnncc3[nH]2)c1 587161652 PDFRWDXMSZAUJV-QWRGUYRKSA-N 254.268 2.763 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)CCC[C@H]1C 587404208 CJJMBFLIUUVQLQ-HWPZZCPQSA-N 273.332 2.670 0 1 CFAF Cc1c(Cl)ccc2nc([C@H](O)C3CCOCC3)[nH]c12 586913199 JUWBNFSDUSOKCX-CYBMUJFWSA-N 280.755 2.985 0 1 CFAF COc1cccc2c1ccn2SC(=S)N(C)C 1857570081 QENABFBNGOFNTL-UHFFFAOYSA-N 266.391 2.993 0 1 CFAF C[C@@H](N)c1ccc(S(=O)(=O)c2ccccc2)s1 1857614266 NPVKJULXEDELEE-SECBINFHSA-N 267.375 2.601 0 1 CFAF N=C(NO)c1cccc(/C=C/c2ccc(O)cc2)c1 1772617864 OLFPWGSZRUUJIN-SNAWJCMRSA-N 254.289 2.867 0 1 CFAF CC1=N/C(=C\c2ccc3ccccc3c2)C(=O)N1CC(=O)O 1772573614 ZFRYBAGFIMUJRP-DHDCSXOGSA-N 294.310 2.526 0 1 CFAF O=c1oc(/C=C/c2ccc(O)cc2)nc2ccc(O)cc12 6092619 MWMMPGDUPHYPAA-FPYGCLRLSA-N 281.267 2.770 0 1 CFAF biogenic,in-vitro Cc1noc(Cc2ccc3[nH]cc(CCN(C)C)c3c2)n1 13827481 PBIQSWDDDJWZKX-UHFFFAOYSA-N 284.363 2.554 0 1 CFAF O=C(c1cccnc1)N1N=CC[C@H]1c1ccccc1 4030 SLVDOKPCWYCNDL-AWEZNQCLSA-N 251.289 2.655 0 1 CFAF CCc1ccc(O)c(S(=O)(=O)c2ccccc2)c1 28761644 KCOYFZPYHGDHBL-UHFFFAOYSA-N 262.330 2.787 0 1 CFAF O=C(NCc1ccccc1)C1C[C@H]2CCC[C@H](C1)C2=O 1051570 XABIPHSQGXBOJF-ZIAGYGMSSA-N 271.360 2.698 0 1 CFAF C[C@H]1CCCCC[C@@H]2CC(=O)C[C@H]2C(=O)CCC(=O)O1 6481033 VFPKFXHONKRPFZ-OUCADQQQSA-N 280.364 2.827 0 1 CFAF CCCN1/C(=C2\C=CC=NC2=O)Nc2ccccc21 104021364 VVBHNNKQONOWQL-SDNWHVSQSA-N 253.305 2.707 0 3 CFAF c1ccc2[nH]c(CCn3nnc4ccccc43)nc2c1 103297727 NEUCXBHQRMTXMJ-UHFFFAOYSA-N 263.304 2.550 0 1 CFAF COC(=O)[C@H]1[C@@H](c2ccc(F)c(C)c2)C[C@@H]2CC[C@@H]1N2C 101137651 JWQGRCSMNJKNOQ-XRGAULLZSA-N 291.366 2.873 0 1 CFAF CC(C=CC(N)=O)=C[C@@H](C)C(=O)c1ccc(N(C)C)cc1 2356413153 PCIMEOIYJHGTNG-CYBMUJFWSA-N 286.375 2.559 0 1 CFAF CC[C@@H]1[C@H]2CCN(C)[C@H]1[C@@H]1c3ccccc3N[C@H]1[C@@H]2CO 2356504385 PDVIEYDJFPUAAG-MTDKJNNZSA-N 286.419 2.533 0 1 CFAF CC=C(C)C(=O)Oc1ccc(C=CCO)cc1OC 2356639284 LBTSUNDGPKYVGX-UHFFFAOYSA-N 262.305 2.572 0 1 CFAF C[C@H](C(=O)O)[C@@H]1CCC[C@@](C)(O)[C@@H]2CC[C@@H](C)[C@@H]12 2356762201 HQEHOUBUOJUOIA-VDVLUQLZSA-N 254.370 2.921 0 1 CFAF CC(C)N1CCN(C(=O)N2CCC(C(C)(C)C)CC2)CC1 36151887 FJHLLCXNGZGREC-UHFFFAOYSA-N 295.471 2.891 0 1 CFAF O=C(NCc1ccc(Cl)cc1)[C@@H]1COc2ncsc21 220866822 FMRTVAPCJIBVQN-SNVBAGLBSA-N 294.763 2.589 0 1 CFAF Cc1ccc2nnc(-c3ccc(Br)cc3)n2n1 82060427 ZOTFUVJYXRQXQV-UHFFFAOYSA-N 289.136 2.862 0 1 CFAF [O-][n+]1onc2cc(OCc3ccc(Cl)cc3)ccc21 95571739 USGCQQRSOOQMEZ-UHFFFAOYSA-N 276.679 2.694 0 1 CFAF CCOC(=O)C(F)(F)c1cc2c3c(cccc3n1)CC2 587210053 CDSNHWNFCVKFAV-UHFFFAOYSA-N 277.270 2.988 0 1 CFAF Cc1ccc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2n1 586888837 YVMLUFTZJDCSAC-GRYCIOLGSA-N 267.332 2.905 0 1 CFAF COC[C@H](C)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400368 NFOOZEUKPVNVIB-BONVTDFDSA-N 263.337 2.584 0 1 CFAF CC1=C(C)O[C@@](C)(c2ccc3c(O)nc(O)nc3n2)CC1 587561100 NNTPETUCJRFUPW-OAHLLOKOSA-N 287.319 2.756 0 1 CFAF CCOc1ccccc1OCc1nc2c(N)ccnc2[nH]1 587781118 PRSSBMWYUAQUGP-UHFFFAOYSA-N 284.319 2.518 0 1 CFAF C/C(=C/c1ccccc1)c1ccc2c(O)nc(O)nc2n1 587560704 DOKNMMZHMQYEDR-KTKRTIGZSA-N 279.299 2.997 0 1 CFAF NCc1cccc(-c2nc3ccnc(Cl)c3[nH]2)c1 587245927 HISYGZCADFJVDZ-UHFFFAOYSA-N 258.712 2.737 0 1 CFAF COc1cccc2[nH]c(-c3ccc(N(C)C)cn3)nc12 587195552 WYYQPGZIUUTRDY-UHFFFAOYSA-N 268.320 2.700 0 1 CFAF CN(C)C(=O)C[C@]1(C)c2ccc(F)cc2C[C@H]2CCCN21 963092862 AUDAVUYQHBRJSM-RHSMWYFYSA-N 290.382 2.540 0 1 CFAF COc1ccc(C[C@H]2Oc3cc(OC)ccc3[C@@H]2O)cc1 14613178 QLTLOJMHZAHCAW-SJORKVTESA-N 286.327 2.741 0 1 CFAF CCC(CC)Nc1cc(C(=O)O)ccc1NC(C)=O 14944963 QWGXCMBQVNXFFZ-UHFFFAOYSA-N 264.325 2.944 0 1 CFAF CC(=O)N1CCc2c(c(-c3ccccc3)nn2CC2CC2)C1 1857644354 LWKDJDPKVIGEDI-UHFFFAOYSA-N 295.386 2.865 0 1 CFAF Cc1scc(CN2CCC3(CC2)OCCO3)c1C 6895127 UVVLDGNSMPUQBW-UHFFFAOYSA-N 267.394 2.704 0 1 CFAF Cc1cccc2[nH]c([S@](=O)Cc3ccccc3N)nc12 28228154 JUZXVPWJGIDRCJ-FQEVSTJZSA-N 285.372 2.761 0 1 CFAF CC1=Nc2ccccc2/C1=C/NNC(=S)NC(C)C 104000286 KTXQVWMSZMXDOH-XYOKQWHBSA-N 274.393 2.511 0 3 CFAF Nc1ncccc1COc1cc(-c2ccccc2)[nH]n1 28008909 XAMPGVGQUGNRQS-UHFFFAOYSA-N 266.304 2.633 0 1 CFAF COC(=O)/C=C\[C@@]1(C)Cc2c(C)c(N)c(C)c(C)c2O1 27649240 NMJIJMNHMHSRKY-WLMCBFPDSA-N 275.348 2.617 0 1 CFAF CC1=CC[C@@H](O)C[C@@H]1N(C)C=Cc1ccc(O)cc1 2356524073 PFNAYQCGWMWAMD-CVEARBPZSA-N 259.349 2.764 0 1 CFAF CO[C@@H]1c2c(C)c(CCO)c(C)c(O)c2CC1(C)C 2356588293 OCWNKEZMOMOVTR-OAHLLOKOSA-N 264.365 2.814 0 1 CFAF CC1(C)CCC[C@]2(C)[C@@H]3C(=CC[C@H]12)C(=O)O[C@H]3OC=O 2356689734 WSUTVTBGLINLCL-NCZKRNLISA-N 278.348 2.821 0 1 CFAF CCC1=C(Br)/C(=C/Br)OC1=O 38842681 PXUWFYUVVGVIKU-HYXAFXHYSA-N 281.931 2.839 0 1 CFAF CNC[C@@H](O)[C@H](c1cccc(F)c1)n1ccc2ccccc21 38207430 WLILWEIYLCPPKG-MSOLQXFVSA-N 298.361 2.950 0 1 CFAF CO[C@H]1C[C@](O)(CCc2ccccc2)C(C)(C)O1 38999341 UOFVQYXPYWRWJJ-UKRRQHHQSA-N 250.338 2.522 0 1 CFAF O=C1C[C@@H](c2ccccc2Br)n2nccc2N1 72176949 IJUIZNPDLJVXER-JTQLQIEISA-N 292.136 2.577 0 1 CFAF CCN1C(=O)N[C@@H](CCc2ccccc2)[C@H](C(C)=O)[C@@H]1C 72119975 ZGEBMMSVPHZVMT-RCBQFDQVSA-N 288.391 2.627 0 1 CFAF Nc1nc(Cl)cc(Cc2ccc(Cl)cc2)n1 84729067 WIVXYQQFYRPUPN-UHFFFAOYSA-N 254.120 2.956 0 1 CFAF O=C(Cc1ccccc1)Nc1cn(C2CCC2)cn1 45254764 AUBBSDZYWJYPEN-UHFFFAOYSA-N 255.321 2.789 0 1 CFAF CCOC(=O)[C@H](C)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587398989 HDDQZFXGQXPTBY-QFYYESIMSA-N 291.347 2.500 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)C1C[C@@H]2CC3C[C@@H](C1)C2 587560834 AKBJVTXQJQISKD-DKEVHCRPSA-N 283.331 2.827 0 1 CFAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccnc(O)c2[nH]1 587196103 QQXDDBHOZFKAFW-JTQLQIEISA-N 282.347 2.881 0 1 CFAF Cc1c(Br)cnc2[nH]c(C3=COCC3)nc12 586913617 RIUSTAMMJOMDRA-UHFFFAOYSA-N 280.125 2.790 0 1 CFAF O=C(O)[C@@H]1NCCc2cccc(-c3ccccc3)c21 962673951 ZSSCKDNKLLPPIU-OAHLLOKOSA-N 253.301 2.625 0 1 CFAF O=c1cc(OCc2cccc(Cl)c2)nc2ccccn12 1772576749 QJXIDTTUEDFZFY-UHFFFAOYSA-N 286.718 2.927 0 1 CFAF O=c1[nH]c2ccccc2c2c(O)n(-c3ccccc3)nc12 13741780 YVMPWEODXUCQEW-UHFFFAOYSA-N 277.283 2.573 0 1 CFAF O=C1Cc2ccc(O)cc2/C=N/C=C/c2cc(O)ccc21 169293582 PHTNPJUNCWXYDO-BMMZNIDASA-N 279.295 2.926 0 1 CFAF CN1C=CN(COCC[Si](C)(C)C)/C1=C/N=O 209126420 UOIRDXKLTJWWDS-PKNBQFBNSA-N 255.394 2.583 0 1 CFAF COc1cc2c(cc1OC)C(=O)[C@@H](C(=O)c1ccccc1)C2 1872876 MBPDTIPFHQRJDG-CQSZACIVSA-N 296.322 2.942 0 1 CFAF COc1ccc(SC)c2c1C[C@@H]1[C@H](C2)O[C@@H](C)CN1C 27549834 AIHRHPNPPYSHMX-ZBINZKHDSA-N 293.432 2.603 0 1 CFAF CCC[C@H](C)c1c(O)n(CC)c(SC)nc1=O 103571464 HOUWRHZEDRXXBC-QMMMGPOBSA-N 256.371 2.594 0 1 CFAF O=c1oc([C@@H](O)c2ccccc2)cc2ccccc12 61969010 QVIWFAZQVABKEK-HNNXBMFYSA-N 252.269 2.875 0 3 CFAF CN(C)c1cccc(N2C(=O)c3ccccc3C2=O)c1 29038402 JSHMMXTUXYEAQJ-UHFFFAOYSA-N 266.300 2.553 0 1 CFAF CO[C@@H]1O[C@H]2C[C@H]1C(CO)=C1CC(C)(C)C[C@H]1[C@H]2C 2356584960 YICABYFSQXURPV-YRRINSJYSA-N 266.381 2.739 0 1 CFAF O=c1ccc(-c2ccc(-n3cnc4c3CCCC4)cc2)n[nH]1 29208615 BBDAIJLGBUHXBZ-UHFFFAOYSA-N 292.342 2.501 0 1 CFAF CCOC(=O)[C@H]1CCC(c2ccc3c(c2)CCC3)=NO1 40828162 AEPCEKHAJBKZQH-OAHLLOKOSA-N 273.332 2.622 0 1 CFAF C[C@H]1CCCN(c2nc(N)nc3[nH]c4ccc(O)cc4c23)C1 221385570 ZLKGWCVIBPNMAJ-VIFPVBQESA-N 297.362 2.635 0 1 CFAF C/C1=C\[C@@H](O)C[C@H](C)C(=O)C[C@@H](C(C)C)C(=O)C1 238789126 WLHCFOUGUVMPPJ-ZFNYCVFOSA-N 252.354 2.524 0 1 CFAF CCC[C@@H](C)c1cc(=O)n(C(=O)N(CC)CC)o1 299865052 NBMRZMOXHBSDEA-SNVBAGLBSA-N 254.330 2.655 0 1 CFAF Fc1cc(Br)cc(-c2nc3cnncc3[nH]2)c1 587161212 NAZGEPPABAAAKF-UHFFFAOYSA-N 293.099 2.922 0 1 CFAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccnc(O)c3[nH]2)cc1 587934411 DLLHUSCAABONIO-YMTOWFKASA-N 299.330 2.509 0 1 CFAF N[C@@]1(c2nc3cccc(O)c3[nH]2)C[C@@H]1c1ccccc1F 587156675 PBARAHKLLUZGKT-HWPZZCPQSA-N 283.306 2.749 0 1 CFAF FC(F)(F)OCc1nc2cc(Br)ncc2[nH]1 587124071 LAQWCELIGGLZDX-UHFFFAOYSA-N 296.046 2.757 0 1 CFAF CC(C)CC[C@H]1CCc2cc3c(O)nc(O)nc3nc21 587562300 VQLCABHXPQKZLI-VIFPVBQESA-N 273.336 2.902 0 1 CFAF Nc1cc2nc(-c3ccc(O)cc3Cl)[nH]c2cc1N 587054555 OMQFRBHNAKQEEH-UHFFFAOYSA-N 274.711 2.753 0 1 CFAF N=c1[nH]ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 587161418 NRCRJIGVRBCSBO-MNOVXSKESA-N 268.295 2.781 0 1 CFAF C(=C\c1ccccc1)\COCc1nc2cncnc2[nH]1 587781603 XLWNILACDSEEJT-DAXSKMNVSA-N 266.304 2.583 0 1 CFAF Clc1ccc(-n2cc(-c3nc4cnccc4[nH]3)nn2)cc1 587075751 JZOIDMSIGTUASD-UHFFFAOYSA-N 296.721 2.859 0 1 CFAF Oc1ccc2c(c1)[C@H](c1ccc(Br)[nH]1)NCC2 963353024 ORHYULRDJWWHJV-CYBMUJFWSA-N 293.164 2.718 0 1 CFAF O=C(O)[C@H]1NCCc2cccc(-c3ccccc3)c21 962673949 ZSSCKDNKLLPPIU-HNNXBMFYSA-N 253.301 2.625 0 1 CFAF Cn1cc(-c2noc([C@H]3CN4CC[C@H]3C4)n2)c2ccccc21 13860831 DTXGABJYFGPQQR-AAEUAGOBSA-N 294.358 2.647 0 1 CFAF Cc1cc(-n2ccnc2)cnc1-c1ccc(C(=O)O)cc1 1857769367 RVSYIYQSUPXNGM-UHFFFAOYSA-N 279.299 2.941 0 1 CFAF COc1ccc(Cc2c3cc(O)c(=O)cc-3ccn2C)cc1 6494658 LCPHLHANZXJDQN-UHFFFAOYSA-N 295.338 2.795 0 1 CFAF Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)n[nH]c1=S 6550880 PXLDLQPLCKANSY-QMMMGPOBSA-N 284.385 2.550 0 3 CFAF CN(C)CC[C@H]1CN(C)C(=S)c2cc(Cl)ccc2O1 26270386 BVNCCFYFPFDKKP-NSHDSACASA-N 298.839 2.660 0 1 CFAF CC[C@H]1CC(=O)C[C@]23CCN(C)[C@@H](Cc4ccc(O)cc42)[C@H]13 101218370 SZIGYSMMOMTFKG-OZOSWLFCSA-N 299.414 2.896 0 1 CFAF NC1=N[C@@H](CCC2(c3ccc(Cl)cc3)CC2)CO1 117253559 DKBKVVQJRQSRCV-LBPRGKRZSA-N 264.756 2.865 0 1 CFAF O=S1(=O)Nc2c(ccc3cccnc23)-c2cc(O)ccc21 29129799 IMJRMYKAGGWMML-UHFFFAOYSA-N 298.323 2.722 0 1 CFAF C[C@@H]1CC[C@@H]2C=C(C(=O)O)[C@@H]3C[C@@](C)(C(=O)O)C[C@]123 2356686484 HUJFKZCVAUJOMH-ZEROOKDJSA-N 264.321 2.544 0 1 CFAF COC[C@]1(O)[C@]2(CCC[C@@H]2O)[C@H]2[C@H]3CCC[C@@]2(C)[C@@]1(C)C3 2356735827 SWDAGTBJDSMABM-FPMLTQPBSA-N 294.435 2.741 0 1 CFAF CCn1cnc2c(=O)n(-c3ccccc3)c3ncccc3c21 26717857 MSFJJMJJKQPLJE-UHFFFAOYSA-N 290.326 2.755 0 1 CFAF CC(=O)Nc1nc(-c2ccoc2)cc(-c2ccoc2)n1 66102639 ZWMJUGNFLLBNRZ-UHFFFAOYSA-N 269.260 2.955 0 1 CFAF CCC(=O)N1CC[C@@]1(C)C(=O)Nc1cnc2ccccc2c1 61904967 RRYLEIZAGMTLKS-KRWDZBQOSA-N 297.358 2.574 0 3 CFAF COc1ccc2c(c1)C(=O)c1c-2c(=O)[nH]c2ccccc12 71333137 SHFXINUAHWZFNJ-UHFFFAOYSA-N 277.279 2.748 0 1 CFAF CCCCC[C@@H](C)NC[C@@H](O)c1cc(O)cc(O)c1 137222044 DFGXCGQPCWUBML-IAQYHMDHSA-N 267.369 2.690 0 1 CFAF Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)nc1NCCC(C)C 82203126 VKHAAKGPOVPLQK-ZIAGYGMSSA-N 292.427 2.857 0 1 CFAF CCc1ccccc1O[C@H]1c2ccccc2C[C@@]1(O)CNC 40834335 OOXPOUDWMPWCQG-RBUKOAKNSA-N 297.398 2.876 0 1 CFAF c1ccc(CNc2ccnc(N3CCSCC3)n2)cc1 49053922 SPJWTUJGKPIRMF-UHFFFAOYSA-N 286.404 2.642 0 1 CFAF in-vivo C[C@H](Cc1ccccc1-c1cccnc1)C1=NCCN1 473121275 GSYAQPWXFJPVPN-CYBMUJFWSA-N 265.360 2.929 0 1 CFAF CCN(CC)Cc1ccc(OC(=O)N(C)C)c(OC)c1 299829304 LIMGQXFMXCUCNC-UHFFFAOYSA-N 280.368 2.597 0 1 CFAF NC(=O)[C@@H]1CCCc2c(-c3ccc(Cl)cc3)n[nH]c21 299858214 DJSXAFBEVHGPLR-LLVKDONJSA-N 275.739 2.635 0 1 CFAF O=C(O)c1ccc2[nH]c(=Nc3ccccc3)sc2c1O 473083733 PJWRKUHRVVGBGJ-UHFFFAOYSA-N 286.312 2.866 0 1 CFAF Cc1cc2c(O)nc(O)nc2nc1-c1cc(F)ccc1F 587368804 XNPBIPAWXJCIAR-UHFFFAOYSA-N 289.241 2.690 0 1 CFAF Cc1cc2nc([C@@H]3CC(=O)OC3(C)C)[nH]c2cc1F 586906580 FFSKBRPAWKMGDV-QMMMGPOBSA-N 262.284 2.820 0 1 CFAF OCC12CCC(c3nc4c(Cl)ncnc4[nH]3)(CC1)CC2 586895421 GIHZMMSOHCMKMH-UHFFFAOYSA-N 292.770 2.591 0 1 CFAF CCCC/C=C\c1nc2ccc(-n3cnnn3)cc2[nH]1 587966066 RNJJBYHGIASCEX-WAYWQWQTSA-N 268.324 2.742 0 1 CFAF CC(C)[C@](C)(O)c1nc2cc(Br)cnc2[nH]1 586885302 AVGINVNHISCPNH-NSHDSACASA-N 284.157 2.584 0 1 CFAF C/C(=C\c1nc2c[nH]c(=N)[nH]c-2n1)C1CCCCC1 587968135 PEHJQOBDLKXPTL-VQHVLOKHSA-N 257.341 2.701 0 1 CFAF CCCc1c(O)ccc2c1O[C@@]1(CCCOC1)CC2=O 587492659 RQNJJMMQEORHPF-INIZCTEOSA-N 276.332 2.859 0 1 CFAF CCC[C@]1(c2c(C)n[nH]c2C)NCCc2ccc(O)cc21 963350900 DVXDHQKQPANXQU-KRWDZBQOSA-N 285.391 2.922 0 1 CFAF Cc1cc2c(cnn2-c2cc(F)cc(F)c2)c(O)n1 1857560368 YRAOMJDCLMJLAP-UHFFFAOYSA-N 261.231 2.713 0 1 CFAF CC(C)c1n[nH]c2c(NCc3ccco3)ncnc12 13538215 GXOUNYCOQRBUJG-UHFFFAOYSA-N 257.297 2.681 0 1 CFAF Nc1nc(N)c2c(CCc3ccccc3)cccc2n1 13740535 UIHMRPRVKDDARV-UHFFFAOYSA-N 264.332 2.579 0 1 CFAF in-vivo O[C@]1(c2ccccc2Cl)Cc2ccccc2C2=NCCN21 27872498 UHCJZTKRADXJBR-KRWDZBQOSA-N 298.773 2.804 0 1 CFAF CCc1c(OC)nc2nc(-c3nccs3)cn2c1C 9581 DNACXOGJOBTLET-UHFFFAOYSA-N 274.349 2.732 0 1 CFAF COc1cccc2c1Cc1cc(-c3ccccc3)[n+](C)n1-2 1660391 DOFJRWVXLMKISO-UHFFFAOYSA-N 277.347 2.882 0 1 CFAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCSC)[C@@H]1C 100038147 VITGEYPWEUOGJP-KXVPCBDSSA-N 299.392 2.693 0 1 CFAF Cc1cc(-c2ccccc2)nnc1NCCN1CCCC1 27623700 BHXWTVPXUILQTE-UHFFFAOYSA-N 282.391 2.960 0 1 CFAF O=C1CSc2ccc(Cl)cc2N1C[C@H]1CCCO1 103174421 YLRCCWOYPFVQSV-SNVBAGLBSA-N 283.780 2.958 0 1 CFAF CCCCOC(=O)c1cc(OC)c(C[C@@H](C)N)cc1OC 25981385 DHCQOPOFDPDJGB-LLVKDONJSA-N 295.379 2.550 0 1 CFAF CC1=C2C[C@@H](CO)O[C]2c2cc(Br)ccc2N1 2356847421 NTXAOBBNLMTXJY-VIFPVBQESA-N 295.156 2.810 0 1 CFAF Clc1ccc(CNC[C@H]2C[C@H]2c2c[nH]cn2)cc1 35033867 QGRLYCYTQSXMLL-DGCLKSJQSA-N 261.756 2.956 0 1 CFAF COc1cccc(-c2nc(Cn3cnc(C)c3)co2)c1 72179936 SUZAWELUCPWSER-UHFFFAOYSA-N 269.304 2.903 0 1 CFAF Cc1cc(N[C@H]2CCc3cc(F)ccc3C2)n2ncnc2n1 71295412 BXGYDZBWAZSHJE-AWEZNQCLSA-N 297.337 2.541 0 1 CFAF O=C(NCCc1ccccc1)c1ccc2cccnc2c1O 40584863 VWESFKHBVKEKJC-UHFFFAOYSA-N 292.338 2.913 0 1 CFAF COc1cc(/C=C/C(=O)NCc2ccccc2)ccc1O 137345094 IGSUOMCFOYUFJB-CSKARUKUSA-N 283.327 2.730 0 1 CFAF COc1ccc(/C=C/[C@@H]2CC=CC(=O)O2)c(OC)c1 84725754 WLBIAPYFENGDQE-WMADIVHISA-N 260.289 2.589 0 1 CFAF c1ccc2c3c([nH]c2c1)[C@H]1CCN2CCC[C@@H]2N1CC3 85663806 MQDDWIVNNZPOCB-CVEARBPZSA-N 267.376 2.893 0 1 CFAF NCCNc1nc(-c2ccncc2)cc2ccccc12 95559253 CMPYJCKDXNDOGF-UHFFFAOYSA-N 264.332 2.667 0 1 CFAF Nc1nc(N)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 653766336 POXDCKHYNZNQIN-UHFFFAOYSA-N 297.293 2.634 0 1 CFAF COC(=O)c1cccc2nc(-c3ccccc3O)[nH]c12 653784901 PFKOKACSQBKKIC-UHFFFAOYSA-N 268.272 2.722 0 1 CFAF Oc1cccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c12 586901288 GOPSAJXHGNIHIP-SMDDNHRTSA-N 266.300 2.838 0 1 CFAF CCCc1c(O)ccc2c1O[C@]1(CCCC1=O)CC2=O 587483638 RFZDTJGLVQYMJR-MRXNPFEDSA-N 274.316 2.802 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cncc(F)c1)[C@@H](C2)C3=O 587426261 ADSJLGDLVXPPIG-LRDDRELGSA-N 285.274 2.718 0 1 CFAF O=C(O)CCOc1ccc(-c2ncc[nH]2)cc1Cl 584905567 JDFUCVHWLSVLIA-UHFFFAOYSA-N 266.684 2.584 0 1 CFAF in-vitro N=c1[nH]ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c12 586891010 RRHPBQPCGBTTIU-SJCJKPOMSA-N 276.343 2.742 0 1 CFAF CCCC(=O)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443394 ABUSHDKJMPYFOF-BDJLRTHQSA-N 274.316 2.571 0 1 CFAF CC(=O)NC1(c2nc3cccc(O)c3[nH]2)CCC(C)CC1 587234459 MYKYLPYVHRMHDT-UHFFFAOYSA-N 287.363 2.810 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1c(C)noc1C)[C@@H](C2)C3=O 587436593 RVSXPVXKXVOUOO-SJCJKPOMSA-N 299.326 2.963 0 1 CFAF C=Cc1ccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)cc1 586882269 YULZNMYZHOSIRJ-UHFFFAOYSA-N 288.314 2.849 0 1 CFAF CCOc1ccccc1-c1ccc2c(O)nc(O)nc2n1 587560063 VYBXESLYBYKTBA-UHFFFAOYSA-N 283.287 2.502 0 1 CFAF CCN(CC)C[C@H]1C[N@]1Cc1ccc(Cl)cc1 1857622709 ZQOHVUHGVVZNOP-YOEHRIQHSA-N 252.789 2.866 0 1 CFAF CC1=CC[C@@H]2[C@@H](O[C@@H](c3ccccc3)C[C@@]2(C)O)[C@@H]1O 1772625657 DTOUXULHWPNTNK-WRQOLXDDSA-N 274.360 2.595 0 1 CFAF C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC(C)(C)O 5764080 BYGCDFRQFJKYAY-XHBKTUGNSA-N 289.419 2.687 0 1 CFAF c1ccc2c(c1)CCCc1[nH]c(-c3cnc[nH]3)nc1-2 13440059 AJAWXVSPHHFZPD-UHFFFAOYSA-N 250.305 2.956 0 1 CFAF COC(=O)/C=C/[C@@H]1[C@@H](c2ccccc2)C[C@@H]2CC[C@@H]1N2C 169340253 OMLSVYSQLRWXNO-VJRRVSKQSA-N 285.387 2.982 0 1 CFAF CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc3occc3c1)C2 169354008 SENGTFQCTOFUHY-QDMKHBRRSA-N 284.359 2.788 0 1 CFAF CN1CCC[C@@H]1COc1cc(COc2ccccc2)on1 1857551830 LDDBQTACERUPKM-CYBMUJFWSA-N 288.347 2.727 0 1 CFAF O=C1C[C@H]2CC[C@H](C1)N2CCCC(=O)c1ccc(F)cc1 100757838 JSYYJKRFHUQKLJ-HUUCEWRRSA-N 289.350 2.985 0 1 CFAF CC1(C)SC(N2CCCc3ccccc32)=NC1=O 103168889 QJHKDRUGSBAYHF-UHFFFAOYSA-N 260.362 2.847 0 1 CFAF CC=C1CN2CC[C@@]34C(=Nc5ccccc53)[C@H]2C[C@H]1[C@@H]4CO 2356539445 OPQGQQPUILZXAQ-ZSFPCNDZSA-N 294.398 2.673 0 1 CFAF CC1=C[C@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1CC(=O)O 2356862413 VAJDJHDAKDYOEU-ZNMIVQPWSA-N 293.407 2.842 0 1 CFAF CCN(CC)CCC(=O)N1C(=O)CCC12CCCCC2 653751702 JOUMEJDAVAUPIG-UHFFFAOYSA-N 280.412 2.570 0 1 CFAF O=C(O)c1ccc2c(c1)C(=O)c1ccccc1CO2 139118220 COXWXMDASYKDSK-UHFFFAOYSA-N 254.241 2.508 0 1 CFAF Cc1ccc2nc([C@@H](O)c3cccc(O)c3)[nH]c2c1C 586888920 DJIDMNXIMDKHMV-HNNXBMFYSA-N 268.316 2.967 0 1 CFAF N=c1ccc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)c[nH]1 587253452 AGTXGWAPPZUTFT-UHFFFAOYSA-N 294.692 2.893 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(C(=O)O)c1)O2 587407851 LOPXHVMAVDROME-OAHLLOKOSA-N 297.310 2.982 0 1 CFAF CCc1oc2ccccc2c1-c1nc2c(O)nc(O)nc2[nH]1 586903537 LFCPHCJWQOCKLM-UHFFFAOYSA-N 296.286 2.740 0 1 CFAF CCC[C@@H](c1nc2c(O)nc(S)nc2[nH]1)C(C)C 587956273 QEBQUQJSQNVJEY-SSDOTTSWSA-N 266.370 2.887 0 1 CFAF Nc1cc(F)c(-c2nc3cc(F)cc(F)c3[nH]2)cc1N 587137184 RWPNAVAPGXBZBA-UHFFFAOYSA-N 278.237 2.812 0 1 CFAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3ncccc3[nH]2)cc1 587784066 DRMXJIASJDEZSI-STQMWFEESA-N 293.326 2.901 0 1 CFAF CC(=O)SCCC[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587408425 GJDUUWVBOHJCGV-LLVKDONJSA-N 293.388 2.971 0 1 CFAF C[C@H](O)c1ncc(-c2nc3cc(Cl)cnc3[nH]2)s1 587022728 WESMOWBPPHHDTR-YFKPBYRVSA-N 280.740 2.788 0 1 CFAF CC(C)[C@](C)(O)c1nc2c(Br)ccnc2[nH]1 586885203 ANRIQZUUIDLKMK-NSHDSACASA-N 284.157 2.584 0 1 CFAF COc1ccc2c(c1)[C@H](C=C1COC1)N(C(C)C)CC2 962095767 ZZNDXRRYUOFRIS-KRWDZBQOSA-N 273.376 2.959 0 1 CFAF Cc1sc2c(c1C)CCN[C@]21CCCc2ncncc21 963019625 HZMGSDDLWIASTH-INIZCTEOSA-N 285.416 2.881 0 1 CFAF CO[C@H]1CC[C@H](N(C)c2ccnc3c2CCC3)CC1 1857653225 AJJAVAWYOBCHOI-JOCQHMNTSA-N 260.381 2.964 0 1 CFAF Cc1n[nH]cc1-c1cc(=NC(C)(C)C)c2ccncc2[nH]1 1857545722 CHYCCNFSSCTALZ-UHFFFAOYSA-N 281.363 2.961 0 1 CFAF O=C1CN(c2ccccc2)Cc2nc(Cl)ccc2N1 1650258 UIMFDGQHKCEHDZ-UHFFFAOYSA-N 273.723 2.694 0 1 CFAF c1cncc(-c2ccc3c(c2)C[C@@H]2CNC[C@@H]3C2)c1 100059091 MMBSWSRTSFXQOO-LRDDRELGSA-N 250.345 2.998 0 1 CFAF O=C1C=C(C(F)(F)F)[C@H]2C=CC(NC3CCCC3)=C[C@H]2N1 101438428 CCKPVDRMFZJORS-DGCLKSJQSA-N 298.308 2.576 0 1 CFAF CN(C)CCc1ccc(OCCN2CCCCC2)cc1 28570127 MYIRACVNWVDBDH-UHFFFAOYSA-N 276.424 2.655 0 1 CFAF N=C(NCCc1ccccc1)[C@@H]1COc2ccccc2O1 27899692 ZYFBYPGFOKVXFN-INIZCTEOSA-N 282.343 2.636 0 1 CFAF Cc1nn(C)c2c1C(c1ccccc1Cl)=NCCN2 28021625 QKNYDTJTUVBSSA-UHFFFAOYSA-N 274.755 2.645 0 1 CFAF in-man O=C(O)Cc1ccc2c(c1)C(=O)Cc1cc(F)ccc1O2 26008417 FNQWASDQUJZUTI-UHFFFAOYSA-N 286.258 2.984 0 1 CFAF C[C@@H]1[C@H](O)C[C@@]23C[C@H]1[C@](C)(C(=O)O)[C@H]2CC[C@H]3C 2356689575 OMLUGBLYLSZBOX-GVDGIJOSSA-N 252.354 2.530 0 1 CFAF O=C(NCCCCc1cnc[nH]1)Nc1ccccc1 38600116 SZAGCPBYJZYZJX-UHFFFAOYSA-N 258.325 2.554 0 1 CFAF Fc1cccc(-c2nc3ccnc(N4CCOCC4)c3[nH]2)c1 74386318 ITWONSKISAMELJ-UHFFFAOYSA-N 298.321 2.601 0 3 CFAF Cc1[nH]n(-c2ccccn2)c(=O)c1-c1ccc(F)cc1 73222944 RLFSSJASBNTVRM-UHFFFAOYSA-N 269.279 2.675 0 1 CFAF COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C 40829126 IBCZHROKDLOJJF-UHFFFAOYSA-N 288.351 2.874 0 1 CFAF O=C(Cc1ccc(Cl)cc1)N[C@@H]1COc2ncccc21 146547806 DREODSJJQSOXGJ-CYBMUJFWSA-N 288.734 2.527 0 1 CFAF COc1ccc(O[C@@H](CC(C)C)[C@@H]2CCNC2)c(C)n1 96929176 SNNRWIBSGBMYRF-HIFRSBDPSA-N 278.396 2.802 0 1 CFAF CN1C(=N)N(Cc2ccccc2)C[C@H]1Cc1ccccc1 653790974 RWKZZIHFONWHHR-QGZVFWFLSA-N 279.387 2.980 0 1 CFAF CCn1cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587433184 WADWWVLMHHLXFH-DYVFJYSZSA-N 298.342 2.574 0 1 CFAF COc1cc2nc(C[C@@H]3CCC(=O)[C@H]3C)[nH]c2cc1F 587963744 RYULHRAQHKPGQC-IUCAKERBSA-N 276.311 2.868 0 1 CFAF CCCC/C=C\c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587965912 QGKNQIYRRFDMFF-WAYWQWQTSA-N 251.721 2.574 0 1 CFAF Cc1cncc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c12 587118277 KZUXSFOMMRYWRT-UHFFFAOYSA-N 295.268 2.724 0 1 CFAF CC(C)C[C@H](O)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 586901040 MWVPZAWECZKZJW-ZDUSSCGKSA-N 273.336 2.527 0 1 CFAF COc1cc(C)c(N)c(-c2nc3cncc(OC)c3[nH]2)c1 587250036 RGZOFKYTXNCRDP-UHFFFAOYSA-N 284.319 2.533 0 1 CFAF Nc1ncnc2nc(-c3ccc(-c4nccs4)cc3)[nH]c12 587024122 WAQOOZNUBQJUHV-UHFFFAOYSA-N 294.343 2.726 0 1 CFAF Cc1c(NC(N)=O)cccc1-c1nc2ccc(CO)cc2[nH]1 587239827 OQEDHGMPTLTQIF-UHFFFAOYSA-N 296.330 2.521 0 1 CFAF CCOc1ccc(OCC)c(-c2nc3cc(=N)[nH]cc3[nH]2)c1 587778506 OHOJIEPUJDCIHG-UHFFFAOYSA-N 298.346 2.835 0 1 CFAF COc1ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2n1 586902719 MDMILZQZXVVAHW-DGCLKSJQSA-N 281.315 2.536 0 1 CFAF CC1(C(=O)C[C@@]2(C(F)F)NCCc3ccc(O)cc32)CC1 963340742 HSJXJGIXWKWRLG-MRXNPFEDSA-N 295.329 2.758 0 1 CFAF CC(C)(C)C(=O)OCSc1nc(-c2ccncc2)no1 5884953 SDZXIECAIKMIHA-UHFFFAOYSA-N 293.348 2.771 0 1 CFAF CCSC(=S)c1c(C)[nH]n(-c2ccccc2)c1=O 15924225 UPZXMPDCUZWYFZ-UHFFFAOYSA-N 278.402 2.903 0 3 CFAF CN(C)C12C[C@H]3CC(O)(C[C@@H](C1)c1ccccc13)C2 169337078 ZXUQKNZKKBQHPD-ZPVISIIKSA-N 257.377 2.877 0 1 CFAF O=C(Cc1cc(-c2ccco2)on1)Nc1ccc(O)cc1 1857547691 LUBXDEAOIPEFFN-UHFFFAOYSA-N 284.271 2.821 0 1 CFAF Brc1ccc(N2O[C@H]3C=C[C@H]2CC3)nc1 102908289 VAUHQRNQIHPCQZ-UWVGGRQHSA-N 267.126 2.683 0 1 CFAF Clc1ccc(CN2CCN=C2c2ccccc2)cn1 103196897 AVLQTAMRGHJZDQ-UHFFFAOYSA-N 271.751 2.997 0 1 CFAF O=C1CC(=O)O[C@](CCc2ccc(O)cc2)(C2CCC2)C1 35013103 UDFALRZULFYCQB-KRWDZBQOSA-N 288.343 2.770 0 1 CFAF CCCC(=O)CCOC(=O)C=Cc1ccc(O)c(OC)c1 2356706737 RUCDRXZZTMSPNI-UHFFFAOYSA-N 292.331 2.717 0 1 CFAF COc1cccc(NC(=O)CC23CCCN2CCC3)c1 27768398 BXYNCZCUFVWPEE-UHFFFAOYSA-N 274.364 2.652 0 1 CFAF COc1ccc(C2=NC(C)(C)C(C)(C)N2O)cc1OC 40393268 UBACDEOVRITCNK-UHFFFAOYSA-N 278.352 2.712 0 1 CFAF CC1=C[C@@H]2Cc3nc(O)ccc3[C@]3(C1)[C@@H]2CCCN3C 40457118 JCINWKNLTDEYIA-XNJGSVPQSA-N 270.376 2.847 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Cc2ccccc21 587408591 QIMUXVJSOAGSGC-GOSISDBHSA-N 293.322 2.563 0 1 CFAF C[C@H](Cc1nc2cnc3ccccc3c2[nH]1)N(C)C 587191582 MNSGHLMNVQGPNE-SNVBAGLBSA-N 254.337 2.604 0 1 CFAF CCCc1sc(=N)[nH]c1-c1nc2ccc(CO)cc2[nH]1 587012374 ALIZUBLFMWQUGD-UHFFFAOYSA-N 288.376 2.544 0 1 CFAF CC(C)(SCC(=O)O)c1nc2cc(F)cc(F)c2[nH]1 586960647 XGFFHVCLGGRPRX-UHFFFAOYSA-N 286.303 2.894 0 1 CFAF Oc1nc(O)c2ccc(-c3cccc(F)c3Cl)nc2n1 587368802 XIGCKOOYCANWOZ-UHFFFAOYSA-N 291.669 2.896 0 1 CFAF COc1cc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2cn1 587173817 JSVKTYOODOPDSI-CYBMUJFWSA-N 285.278 2.782 0 1 CFAF Cc1cnc2[nH]c([C@@H]3C[C@H](O)c4ccccc43)nc2c1 586903888 QVMKGWFQVIUABC-OCCSQVGLSA-N 265.316 2.835 0 1 CFAF O[C@@H]1C[C@H](c2nc3cnccc3[nH]2)c2ccccc21 586904889 WDNRHMKWCTULIN-SMDDNHRTSA-N 251.289 2.527 0 1 CFAF CC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)CO1 587530073 ATSNWVITUMLTPJ-SFHVURJKSA-N 298.338 2.773 0 1 CFAF Cc1cc2[nH]c(-c3cnc([C@@H](C)O)s3)nc2c(C)n1 587022008 NBFJKGLJAPFUEK-MRVPVSSYSA-N 274.349 2.752 0 1 CFAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2c(F)cnc(Cl)c2[nH]1 587961477 GDZBSFOHFXCABN-RNFRBKRXSA-N 281.718 2.908 0 1 CFAF CN[C@H](c1cccnc1)c1nc2ccc3ncccc3c2[nH]1 587224119 DSKCYPWYUZNIRS-OAHLLOKOSA-N 289.342 2.815 0 1 CFAF CCCc1c(O)ccc2c1O[C@@H](c1cc[nH]c(=N)c1)CC2=O 587472697 KWRLDIRMDFUDJR-OAHLLOKOSA-N 298.342 2.859 0 1 CFAF Oc1nc(O)c2ccc(-c3cc4ccccc4[nH]3)nc2n1 587553715 DKLVBWIKPSGFQN-UHFFFAOYSA-N 278.271 2.584 0 1 CFAF CCc1ccccc1[C@H]1c2nn(C)cc2CCN1C 963956597 YXTBIMPNHRQDAQ-INIZCTEOSA-N 255.365 2.560 0 1 CFAF C/C(N)=C/[C@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21 963089423 HKLYHAYRZLEPSQ-XKFLJWQCSA-N 260.356 2.924 0 1 CFAF C=C[C@@](C)(O)CCC[C@@H](C)C(=O)/C=C/C(C)(C)O 13321823 POBIEWKRMCMVFH-SBZOKTBKSA-N 254.370 2.626 0 1 CFAF biogenic NC1=NC[C@H](Cc2ccccc2)N1CCc1cccc(F)c1 13659617 COZUHJPAVUUVEA-KRWDZBQOSA-N 297.377 2.610 0 3 CFAF O=C1c2ccccc2CN1CCc1cc2ncccc2[nH]1 1857569520 WEIORHMJQKLZQZ-UHFFFAOYSA-N 277.327 2.761 0 1 CFAF C[C@H](c1cn2ccsc2n1)n1cc2[nH]cccc-2c1=O 1857610230 DPRCIQLZLPCFBH-SECBINFHSA-N 284.344 2.600 0 1 CFAF COc1ccc2c(c1)[C@H](CCNC(=O)C(C)C)CC2 3825732 SOXXIXGGIULERY-ZDUSSCGKSA-N 261.365 2.887 0 1 CFAF COc1cc2c(c(OC)c1OC)C(=O)[C@H]1O[C@H]2[C@@H](C)[C@@H]1C 2356404098 CTOMBICFHOIYRL-MQXWNXJFSA-N 292.331 2.621 0 1 CFAF c1ccc(Cc2[nH]c3ncccc3c2C2=NCCN2)cc1 28871740 MWFBIQQOPHRURS-UHFFFAOYSA-N 276.343 2.504 0 1 CFAF Cn1ccc2c(N3CCOCC3)cc3c(c21)[C@H]1CC[C@H]3O1 103047516 PCMALLUWAUCOEY-HUUCEWRRSA-N 284.359 2.921 0 3 CFAF CN1CCc2cccc3c2[C@H]1Cc1ccc(CO)c(O)c1-3 28823248 HATGKOHTAYTUSG-OAHLLOKOSA-N 281.355 2.637 0 1 CFAF O=[N+]([O-])/C=C1\CCCN1Cc1cnc(Cl)s1 103210124 TULICEKOQLVSIP-FNORWQNLSA-N 259.718 2.510 0 1 CFAF CC(=O)O[C@@H]1CC(=O)[C@]2(C)CC=C(C(C)C)C[C@H]2[C@]1(C)O 2356330807 VFNVULFGDFVUDV-DZUCGIPZSA-N 294.391 2.641 0 1 CFAF CCC[C@@H](O)c1ccc(OC)c(O[C@H]2CCOC2)c1 66073689 YUQQHTDRBVFZGY-QWHCGFSZSA-N 266.337 2.696 0 1 CFAF CC1=C2CC[C@]3(C)CCC[C@](C)(O)[C@H]3[C@@H]2OC1=O 2356487274 VLDRHPYYCMRAEB-DHMWGJHJSA-N 250.338 2.580 0 1 CFAF Cc1cc(C)cc(OCc2cc(=O)n3oc(C)cc3n2)c1 20332322 MIIYGOQYTPACIA-UHFFFAOYSA-N 284.315 2.792 0 1 CFAF O=S1(=O)c2cc(Cl)ccc2NC(=S)c2c[nH]cc21 33818773 KGQWZPIBLBEIRL-UHFFFAOYSA-N 298.776 2.602 0 1 CFAF Cc1c(C(=O)O)[nH]c2c(Br)csc12 84706546 AIKGKRKSYRMDMT-UHFFFAOYSA-N 260.112 2.999 0 1 CFAF Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1NCCC(C)C 82203124 VKHAAKGPOVPLQK-OKILXGFUSA-N 292.427 2.857 0 1 CFAF CC(C)[C@@]1(O)CC[C@](C)(N=S)[C@@H]2CC[C@](C)(O)C=C21 84597168 IREDGOQSVKBMCZ-UNQGMJICSA-N 283.437 2.744 0 1 CFAF CCOCCCNc1cc(-c2cccc(OC)c2)ncn1 82160919 QVTVHTKAFFDIEL-UHFFFAOYSA-N 287.363 2.991 0 1 CFAF CN(C)[C@H]1CCc2c(c3ccccc3n2CCC(=O)O)C1 148526720 LUZOFXNKDSLQFI-LBPRGKRZSA-N 286.375 2.535 0 1 CFAF CC(C)n1cnc2c(Nc3cnccn3)nc(Cl)nc21 95597991 PVYDTGBTJLOFKH-UHFFFAOYSA-N 289.730 2.594 0 1 CFAF CCCCNc1nccnc1C(=O)NCc1ccccc1 653784893 NNBGCDMRTVRDSP-UHFFFAOYSA-N 284.363 2.619 0 1 CFAF O=C(O)c1cccc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c12 586886402 PONOYUZFEXDFAC-VWYCJHECSA-N 296.326 2.900 0 1 CFAF CCCn1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587432964 TYBDEJQACQGDSB-SJKOYZFVSA-N 298.342 2.790 0 1 CFAF COc1cc2c3c(c1)O[C@H](C1CCSCC1)[C@@H](C2)C3=O 587449640 BZCIFTJRUXZOGP-BLLLJJGKSA-N 290.384 2.954 0 1 CFAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1O)CC2=O 587484345 SZSKBLFFTFCANO-GDBMZVCRSA-N 276.332 2.594 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccc(CO)cc1)[C@@H](C2)C3=O 587453743 ZZWPLEKFWKLREM-KSSFIOAISA-N 296.322 2.676 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C)n1C)O2 587389327 HFZMOCMCVVVZIV-OAHLLOKOSA-N 270.332 2.931 0 1 CFAF O=c1c2cc(Cl)ccc2cnn1-c1nc2ccccc2[nH]1 587655147 TUAPOUQYFRQDMA-UHFFFAOYSA-N 296.717 2.915 0 1 CFAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C)C[C@H]1C 587477407 RAFXVKZAMPIDMA-DIFFPNOSSA-N 289.375 2.630 0 1 CFAF O[C@@H]1C[C@@H](c2nc3cc(F)cnc3[nH]2)c2ccccc21 586903061 NFSYVGXYXNYTGZ-DGCLKSJQSA-N 269.279 2.666 0 1 CFAF O=C(O)c1cccc2c1CCN[C@H]2c1ccc2oncc2c1 963120391 HJZHIKWIAUJUOF-INIZCTEOSA-N 294.310 2.761 0 1 CFAF COc1cccc2cc3c(nc12)[C@](C)(c1cocn1)NCC3 963067009 MPNLXKASAHZDCT-KRWDZBQOSA-N 295.342 2.641 0 1 CFAF CC1=CC[C@H](C(C)(C)OC(=O)CN2CCC(=O)CC2)CC1 1857760207 YAAYIWHJWSHPGZ-AWEZNQCLSA-N 293.407 2.720 0 1 CFAF CC(C)(C)C1=NO[C@H]2[C@@H](NC(=O)c3ccccc3)CC[C@@H]12 5713678 BWYCDNGJLWGFMK-HZSPNIEDSA-N 286.375 2.996 0 1 CFAF COc1ccc(-c2cc3ccc(O)cc3oc2=O)c(O)c1 13340692 CSQQQDLQNMHAPD-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF CN1[C@H]2CC[C@@H]1CC(NC(=O)c1ccnc3ccccc13)C2 13731457 UQQUBZJNCFEXFB-AGUYFDCRSA-N 295.386 2.590 0 1 CFAF Cc1ccc(Oc2nc(=N)[nH]c(=Nc3ccccc3)[nH]2)cc1 1857767630 LHHPBMPFDVZMJX-UHFFFAOYSA-N 293.330 2.550 0 1 CFAF C[C@H]1CCC[C@@H](NC(=O)CSC2=NCCS2)[C@@H]1C 4963405 IITHXNAKYCELDI-HBNTYKKESA-N 286.466 2.763 0 1 CFAF CN1CCC(CC[C@H]2C(=O)Nc3ccccc3C2=O)CC1 27657783 XGOMQTZAPRJNJX-CQSZACIVSA-N 286.375 2.560 0 1 CFAF CCOC(=O)N1CCC[C@@](Cl)(c2ccccc2)C1=O 26182352 DXTKLIONPMWGMJ-CQSZACIVSA-N 281.739 2.900 0 1 CFAF COc1cccc2c1-c1c3c(cc4c1[C@H](C2)NCC4)OCO3 3651995 VEGWTRMHBZNJFY-LBPRGKRZSA-N 295.338 2.834 0 1 CFAF biogenic C[C@H]1C(=O)C[C@H]2[C@@H]3CC[C@H](C(=O)O)[C@@]21CC3(C)C 40380263 UFLSHMKXGZOAQP-AOVQSLKQSA-N 250.338 2.739 0 1 CFAF CNC[C@@H](O)[C@H](c1cccc(F)c1)N(C)c1ccccc1 40394660 RZKZTKPGTZKVOQ-SJORKVTESA-N 288.366 2.584 0 1 CFAF CC(C)=CCC(=O)[C@H](C)CCC[C@@]1(C)CO[C@H](CO)CO1 40496389 UTFITFNGJUFYBJ-INMHGKMJSA-N 298.423 2.885 0 1 CFAF COc1ccc(-c2[nH]c3ncccc3c(=O)c2C)cc1 84651842 UATLGFNCDMAUMP-UHFFFAOYSA-N 266.300 2.907 0 1 CFAF N=c1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c[nH]1 587161422 NSOGWSSZUCZUGA-MNOVXSKESA-N 268.295 2.781 0 1 CFAF Cc1cccc(-c2ccc3c(O)nc(O)nc3n2)c1F 587368073 HNXPIRTVUUWVBI-UHFFFAOYSA-N 271.251 2.551 0 1 CFAF COC(=O)c1ccnc2[nH]c(-c3c(C)cccc3OC)nc12 587786079 HAZIFTUTLSKBOT-UHFFFAOYSA-N 297.314 2.729 0 1 CFAF CSc1ccc2nc(Cc3cccnc3N)[nH]c2c1 587253453 IZRRLXMUNXWYGT-UHFFFAOYSA-N 270.361 2.853 0 1 CFAF CCCC(=O)NCCCc1ccc(OC)c(F)c1 1857595155 ABTHKGRTNDIVCZ-UHFFFAOYSA-N 253.317 2.683 0 1 CFAF CCCCCc1cn(CCCCC(=O)OCC)nn1 1772644928 LGQMDKCITIJEDW-UHFFFAOYSA-N 267.373 2.744 0 1 CFAF CC1=CC[C@@H]2[C@@H](O[C@H](c3ccccc3)C[C@@]2(C)O)[C@@H]1O 1772625658 DTOUXULHWPNTNK-ZHCJQAHYSA-N 274.360 2.595 0 1 CFAF CCCCCCNc1cc(C)nc(NCCN(C)C)n1 1772621047 OVFGOHAKFVQYKZ-UHFFFAOYSA-N 279.432 2.751 0 1 CFAF CC(C)CCN1CCN(Cc2ccccc2)[C@@H](CCO)C1 169310658 ZWCXXCNREDTRPZ-SFHVURJKSA-N 290.451 2.601 0 1 CFAF Cc1[nH]c(C)c(C(=O)O)c1CN[C@@H]1CCCC[C@@H]1C 4076052 NUOHPMZIMVCBRT-TVQRCGJNSA-N 264.369 2.998 0 3 CFAF Cc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12 6232824 UYKUNBGTZZHHMJ-UHFFFAOYSA-N 284.267 2.885 0 1 CFAF in-vitro CN(C)c1ccc(N2C(=O)c3ccc(F)cc3C2=O)cc1 29038383 GPAUBUNADMFKMX-UHFFFAOYSA-N 284.290 2.692 0 1 CFAF COC(=O)[C@H](c1ccc(Cl)cc1)[C@H]1CCCCN1 29479849 DJLLHNLJLSEKHJ-CHWSQXEVSA-N 267.756 2.739 0 1 CFAF in-vitro CCCn1ccnc1C[C@H]1COc2ccccc2O1 27740057 JZVLEROUYCWKSZ-LBPRGKRZSA-N 258.321 2.676 0 1 CFAF CCCNC(=O)N1OC[C@@H]2CSc3ccc(F)cc3[C@@H]21 62225409 OQGNYBGVLNWSIX-NOZJJQNGSA-N 296.367 2.956 0 1 CFAF NC(=O)c1cccc(-c2cn3cc(Cl)ccc3n2)c1 34418138 CFUFGPWIRODSCA-UHFFFAOYSA-N 271.707 2.754 0 1 CFAF COC1=CC(=O)O[C@@H](/C=C\c2ccc(OC)cc2)C1 214573971 AYXCIWVJOBQVFH-UJZCVKTISA-N 260.289 2.554 0 1 CFAF O=C(O)[C@@H]1CCC(=O)N1Cc1ccc(-c2ccccc2)cc1 73389091 VMVUOYMLEJABRL-INIZCTEOSA-N 295.338 2.929 0 1 CFAF CCCCCCNC(=S)[P@](=O)(O)[C@@H](N)C(C)C 40651308 UNYJDMVNKAVUQP-SNVBAGLBSA-N 280.374 2.652 0 1 CFAF CC(=O)[C@]12C[C@@H]3CCN(C(=O)N[C@@H]1c1ccccc1)[C@]32C 254014893 AQFFNFBQPXGTIM-XOSAIJSUSA-N 284.359 2.511 0 1 CFAF CC(C)CN1CCN2c3cccc4[nH]cc(c34)C[C@H]2C1 261091012 DMGPDLSWGBDRHU-AWEZNQCLSA-N 269.392 2.871 0 1 CFAF CC[C@@H]1CC[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587447844 WCZXCJWNTZUHBP-KSYCPYKJSA-N 286.327 2.571 0 1 CFAF COc1cc2c3c(c1)O[C@](C)([C@@H](C)F)[C@@H](C2)C3=O 587419955 DNOZQJIBCBATGA-LJXOEOAUSA-N 250.269 2.559 0 1 CFAF Cc1ccnc2[nH]c(CCC(=O)Nc3cccc(F)c3)nc12 587163137 MYRSAXJWVMMYMI-UHFFFAOYSA-N 298.321 2.977 0 1 CFAF CC[C@H]1OCCC[C@@H]1c1nc2ccnc(OC)c2[nH]1 586909462 FBCSQYSZRWEXFL-GXSJLCMTSA-N 261.325 2.639 0 1 CFAF COC(=O)Nc1ccc(-c2nc3ccc(C)nc3[nH]2)cn1 587244845 LWBZHWBAEMFDEB-UHFFFAOYSA-N 283.291 2.507 0 1 CFAF CS(=O)(=O)/C=C\c1nc2ccc(C(F)(F)F)cc2[nH]1 586926403 OZBISPYPSCNQAS-PLNGDYQASA-N 290.266 2.597 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(C)oc1C)O2 587394737 ZUMLQIUIVQHBNX-ZDUSSCGKSA-N 272.304 2.889 0 1 CFAF CC(C)COc1cccc(OCc2nc3cnncc3[nH]2)c1 587565693 IIIFOAARFVTDCP-UHFFFAOYSA-N 298.346 2.967 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)[C@H](c1ccc(F)cc1)CC3 587369746 OIPAIPNJFKTTJB-NSHDSACASA-N 297.289 2.653 0 1 CFAF Cc1cc(C)n(-c2c(C)[nH]c3c(C(=O)O)cccc23)n1 587639415 VJVBPSLPUHBOGV-UHFFFAOYSA-N 269.304 2.977 0 1 CFAF FC(F)(F)c1cccc2nc(C[C@H]3COCCO3)[nH]c12 586910380 OROWILFNZQBHAB-QMMMGPOBSA-N 286.253 2.540 0 1 CFAF FC(F)(F)[C@@](F)(Cl)c1nc2cccnc2[nH]1 587089750 HEYWGLFVHBCUFF-SSDOTTSWSA-N 253.586 2.881 0 1 CFAF NC(=O)c1cccc2[nH]c(-c3cc4c(s3)CCC4)nc12 587036754 LZKBMOFESARKGF-UHFFFAOYSA-N 283.356 2.879 0 1 CFAF CC(C)N(O)C[C@@H](O)COc1cccc2ccccc12 5760272 VVODPHQSQSFBAF-CQSZACIVSA-N 275.348 2.679 0 1 CFAF COc1cccc(C[C@H]2Cc3ccccc3CC(=O)N2)c1 5849889 YYGHAFWEGACSOK-INIZCTEOSA-N 281.355 2.521 0 1 CFAF COC(C/C=C/[C@H](O)[C@@H](C)OCc1ccccc1)OC 12477799 VQFCTNUGJJZSHM-BTMYIEMMSA-N 280.364 2.518 0 3 CFAF NC1=NC[C@H](Cc2ccc(O)cc2)N1CC1CCCCC1 13662145 WTCMRVJPJMILSH-HNNXBMFYSA-N 287.407 2.514 0 3 CFAF Cc1c(-c2nc[nH]c3nccc2-3)nnn1CC1CCCC1 1857589523 CLRSIMGHADYRBH-UHFFFAOYSA-N 282.351 2.667 0 1 CFAF Cc1nccc2c(=NC3(C)CC3)nc(-c3ccncc3)[nH]c12 1857598035 NCURZWASYVOQOD-UHFFFAOYSA-N 291.358 2.782 0 1 CFAF NC(=O)c1ccc2[nH]c3ncnc(-c4ccccc4)c3c2c1 3961829 WSZDDGRASVGCMJ-UHFFFAOYSA-N 288.310 2.877 0 1 CFAF COC(=N)c1cc(C)cc2c1N(C)C(=O)c1cccnc1O2 6521863 LEHIHURYTFEZGS-UHFFFAOYSA-N 297.314 2.744 0 1 CFAF COc1ccc([C@@H]2Oc3ccccc3C[C@H]2O)cc1 6793790 XPXNUSNIJPFVIP-ZBFHGGJFSA-N 256.301 2.732 0 1 CFAF Cc1nc(C)c(CN2CCN(c3ccccc3)CC2)nc1C 28713665 OXDSREMXONDOBI-UHFFFAOYSA-N 296.418 2.724 0 1 CFAF O=C(c1ccccc1Cl)c1ccc2n1CC[C@H]2C(=O)O 25995981 KTAUAEMXAXSTNX-SNVBAGLBSA-N 289.718 2.944 0 1 CFAF CC(C)C(=O)N1CCC[C@]1(C)C(=O)Nc1ccc(F)cc1 61903415 DMZWXXKPMRDMMU-MRXNPFEDSA-N 292.354 2.801 0 3 CFAF O=C1NC[C@@H](c2ccccc2F)N1c1ccc2[nH]cnc2c1 116194840 DTYRPRNYDRVWAY-HNNXBMFYSA-N 296.305 2.973 0 1 CFAF NC(=O)N(O)C1c2ccccc2Oc2ccccc21 28230719 KYEWIVJZJITLTA-UHFFFAOYSA-N 256.261 2.652 0 1 CFAF c1ccc(Cc2nc3ccccc3n3cnnc23)cc1 64541104 QEOMUNIOZPWFSQ-UHFFFAOYSA-N 260.300 2.868 0 1 CFAF C[C@H](OC(=O)N[C@@H]1CN2CCC1CC2)c1ccccc1F 33977027 HQYLURGLNKLOQJ-XHDPSFHLSA-N 292.354 2.707 0 1 CFAF COC[C@H](C)Nc1cc(-c2cc(F)ccc2F)ncn1 82161410 URYODNWXPIPSKP-VIFPVBQESA-N 279.290 2.869 0 1 CFAF O=C1O[C@@]2(Oc3ccc(Cl)cc3C2=O)c2ccccc21 95592991 JZAMXNVPLWBMMM-HNNXBMFYSA-N 286.670 2.939 0 1 CFAF N=c1cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c[nH]1 586889287 MDOCZWHLGXZHGG-SJKOYZFVSA-N 276.343 2.742 0 1 CFAF C[C@H](O)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587824979 FBQBPRXTUOQBIQ-KEHGIVTQSA-N 288.160 2.544 0 1 CFAF Oc1nc(O)c2ccc(-c3ccc(Cl)cc3)nc2n1 587369042 RURFRDYDOXCTSM-UHFFFAOYSA-N 273.679 2.756 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(O)cccc1O)O2 587405696 YIBYJROWSNOFGQ-CQSZACIVSA-N 285.299 2.695 0 1 CFAF Cc1ccnc2c1CCN[C@]21CCCC(=O)C1(C)C 963071918 MGMKJNCBZCJKBN-MRXNPFEDSA-N 258.365 2.510 0 1 CFAF Cc1nn(C)c(F)c1[C@@H]1NCCc2ccc(F)c(C)c21 962370873 FILYDWQXOVSSSR-CQSZACIVSA-N 277.318 2.550 0 1 CFAF COc1ccc(S(=O)(=O)/C=C/c2cccnc2)cc1 1857544069 YEBFPNCHQZTZPZ-CSKARUKUSA-N 275.329 2.535 0 1 CFAF COc1ccc(-c2cc3cccc(O)c3c(=O)o2)cc1O 1772599139 CSXXCDKELMGQDN-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF Cc1c(C)n(CCc2ccccc2)c2nc(=O)oc(O)c12 169721505 YPBNAVKNVJQIFZ-UHFFFAOYSA-N 284.315 2.555 0 1 CFAF COc1ccc(C[C@@H]2NCCc3c2ccc(OC)c3O)cc1 106249597 HRLOZVISYYXZSL-INIZCTEOSA-N 299.370 2.839 0 1 CFAF O=C(NCCCCCn1ccnc1)c1ccc(Cl)nc1 25989881 NWMYFKPXLDLAAW-UHFFFAOYSA-N 292.770 2.532 0 1 CFAF COCCOc1cc(OC)ccc1-c1nc2cc[nH]cc-2n1 101348614 UAIGVTIPPIMNRV-UHFFFAOYSA-N 299.330 2.610 0 1 CFAF Cc1cccc(Nc2ncnc3c2nc2n3CCCCC2)n1 21529534 LXBDVVZTCONWEX-UHFFFAOYSA-N 294.362 3.000 0 1 CFAF C[C@@H]1CC[C@@H]2C[C@H](C(=O)O)[C@@H]3C[C@@](C)(C(=O)O)C[C@@]312 2356722161 ZKEYYASKEXLLCC-DBTIYXRBSA-N 266.337 2.624 0 1 CFAF CC(=O)[C@@H]1O[C@H](C)[C@H](C)c2c(C)c(O)cc(O)c21 2356807536 XVOPIVORFQRIKH-GJANQFNCSA-N 250.294 2.559 0 1 CFAF Nc1nc2ccc(O)nc2n1-c1cccc2ccccc12 118272092 NXHDJVNAVKYZRN-UHFFFAOYSA-N 276.299 2.862 0 1 CFAF Cc1ccc(-c2nc(CNC[C@@H]3CCCO3)co2)cc1 72185131 QBTZHBNRGPTYEQ-HNNXBMFYSA-N 272.348 2.919 0 1 CFAF CC(=O)c1ccc(OCCCCN2CCCC2)cc1O 215532223 IBQVCMXNKOHIIB-UHFFFAOYSA-N 277.364 2.850 0 1 CFAF CCCC(CCC)(CS(=O)(=O)O)N(Cl)Cl 40893473 SBXSWANNJDMKHO-UHFFFAOYSA-N 278.201 2.823 0 1 CFAF CC1(C)CCC[C@]2(C)[C@H]3C(=O)OC[C@@H]3C(=O)C[C@@H]12 85846078 JAOIVWBEFJXTLX-FQMFCJFBSA-N 250.338 2.581 0 1 CFAF Cc1cncc([C@@H]2CCCN(Cc3cccn3C)C2)n1 299850836 ULLSRPDFMWFGEQ-CQSZACIVSA-N 270.380 2.503 0 1 CFAF COc1cc(OC)c2[nH]c(-c3c(N)cccc3O)nc2c1 587251065 XIFLELUFSWVLPQ-UHFFFAOYSA-N 285.303 2.535 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(C)ccc1O)O2 587394514 WUTLYLRMMDXTRY-AWEZNQCLSA-N 284.315 2.693 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nn(C)cc1Cl)O2 587380250 RSNKXELVPGLWHJ-LBPRGKRZSA-N 291.738 2.671 0 1 CFAF Oc1nc(O)c2cc3c(nc2n1)C[C@H]3c1ccc(Cl)cc1 587368869 QJAFOHDPTISIPT-VIFPVBQESA-N 299.717 2.777 0 1 CFAF COc1ccccc1CC(=O)c1nc2cc(O)ccc2[nH]1 587932909 ZZSMMKKWNBCQSG-UHFFFAOYSA-N 282.299 2.703 0 1 CFAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(Cl)ncc2[nH]1 587963336 MZUBLALLEMHMAH-YUMQZZPRSA-N 263.728 2.769 0 1 CFAF Cc1cc(C)cc(OCc2nc3ccc(C(N)=O)cc3[nH]2)c1 587565168 ZLNWYWBONTUUKB-UHFFFAOYSA-N 295.342 2.858 0 1 CFAF N[C@@]1(c2nc3ccc(Oc4ccccc4)cc3[nH]2)CCOC1 587248207 IIWCPFACUQCEGC-KRWDZBQOSA-N 295.342 2.930 0 1 CFAF Fc1cccc([C@@H]2C[C@H]2c2nc3cnncc3[nH]2)c1F 587152352 MCSYBDQBGKKKMB-DTWKUNHWSA-N 272.258 2.902 0 1 CFAF COC(=O)Nc1ccc(-c2nc3c(OC)cncc3[nH]2)cc1 587243091 FAAMJZQZVYMFNN-UHFFFAOYSA-N 298.302 2.812 0 1 CFAF c1ccc2c(c1)ncn2Cc1c2c(cc3c1OCC3)OCC2 1772570906 PDMNLSTYYNYVTM-UHFFFAOYSA-N 292.338 2.954 0 1 CFAF Oc1nc(-c2ccncc2)cc(-c2cccs2)n1 1772600074 JIRZCNPECILYJJ-UHFFFAOYSA-N 255.302 2.973 0 1 CFAF CCC(=O)NC[C@@H]1CCc2c1c1cc(OC)ccc1n2C 13777861 JVMXJYFPFUTBFJ-NSHDSACASA-N 286.375 2.743 0 1 CFAF COc1ccc2[nH]c(C(C)C)c(CCNC(C)=O)c2c1 13732095 VSRBYZZTJPHXQD-UHFFFAOYSA-N 274.364 2.979 0 1 CFAF C[C@@H](c1ccc(COCc2ccccc2)o1)N(O)C(N)=O 10359 LVMYDBXPMONGHK-NSHDSACASA-N 290.319 2.827 0 1 CFAF Cc1cc(C)cc(NC(=O)CCn2ccnc2C)c1 4004098 BAEHHTPDWVEYIS-UHFFFAOYSA-N 257.337 2.837 0 3 CFAF COCCN/C(=C/c1ccc2ccccc2[n+]1C)SC 100951570 QSUIHOOEGFXGSH-UHFFFAOYSA-O 289.424 2.562 0 1 CFAF c1ccc(CN[C@H]2[C@@H]3[C@H]4C[C@H]5[C@@H]6[C@H]4C[C@H]3[C@H]6[C@@H]52)cc1 101699950 ZWCQZHOWEDKJBN-OQSWGVOOSA-N 251.373 2.923 0 1 CFAF N=C(N)Cc1cccc(-c2nc3ccccc3[nH]2)c1 63540134 QTXMRICJLRRAOW-UHFFFAOYSA-N 250.305 2.708 0 1 CFAF COc1cc2cc(-c3ccc(O)cc3)c(=O)oc2cc1O 73167053 YKZCERMBZLPJGR-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF CCCCC/C=C/[C@@H](C)CCOS(=O)(=O)O 138264848 QNUMXENJPAUAPZ-WSKFYRRCSA-N 250.360 2.969 0 1 CFAF in-vitro CC[C@H](C)c1nc2nc(N(C)C(C)C)ccc2[nH]c1=O 82231431 SHJJNQRJOYEBLP-JTQLQIEISA-N 274.368 2.676 0 1 CFAF CC(=O)OC/C=C(C)\C=C\C=C(\C)COC(C)=O 238770598 XRUSDDHZPSXQTK-SKELMDRRSA-N 252.310 2.561 0 1 CFAF O=C(Nc1ncco1)NC12CC3CC(CC(C3)C1)C2 96271183 GABMQXIVCDJHSC-UHFFFAOYSA-N 261.325 2.765 0 1 CFAF COC(=O)c1cc2cc(C=O)cc(C(C)(C)C)c2oc1=O 95594305 XTXJDRNJQMXESV-UHFFFAOYSA-N 288.299 2.690 0 1 CFAF NC[C@@H]1C[C@@H]1c1cc(Cl)c(F)cc1OCCF 653715002 VDLBSMJQDHUJPK-YUMQZZPRSA-N 261.699 2.890 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1cc(F)ccc1N)[C@@H](C2)C3=O 587428433 MZMWPUUOYVUFSR-YVEFUNNKSA-N 299.301 2.905 0 1 CFAF Nc1ncccc1Cc1nc2c(Cl)cnc(Cl)c2[nH]1 587253654 LEXKZYFNKCJLNT-UHFFFAOYSA-N 294.145 2.833 0 1 CFAF Cc1c(-c2cccnc2)[nH]c2ccc(S(C)(=O)=O)cc12 587651691 XXMKQPIQHJIIEI-UHFFFAOYSA-N 286.356 2.942 0 1 CFAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2c(N)ccnc2[nH]1 587928609 ABDOVTSPPPYLNO-GTNSWQLSSA-N 294.358 2.994 0 1 CFAF C[C@H](c1cc2c3c(cccc3n1)CC2)n1cncn1 587211319 PBDCBMZWTRBXHU-SNVBAGLBSA-N 250.305 2.534 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncc(Cl)cn1)O2 587379502 IWJPYOZHCFYFPN-LBPRGKRZSA-N 289.722 2.727 0 1 CFAF COc1ccc(NC(C)(C)c2nc3cnncc3[nH]2)cc1 587201176 IWHASMXTNGHSTI-UHFFFAOYSA-N 283.335 2.709 0 1 CFAF COc1cc(OC)c2[nH]c(-c3cncc(F)c3)nc2c1 587177304 UVNCCTZPWDHSKO-UHFFFAOYSA-N 273.267 2.781 0 1 CFAF C[C@H]1CCCN(C(=S)SC(=S)N(C)C)C1 1857635369 ZMTSBJJMSKJXPU-QMMMGPOBSA-N 262.469 2.583 0 1 CFAF CC1=C2C[C@@]3(C)C(=CCC[C@@H]3C(=O)O)C=C2OC1=O 5964327 VFBTUNRAFFHJBY-ABAIWWIYSA-N 260.289 2.575 0 1 CFAF c1ccc(-c2nc(-c3cnccn3)no2)c(-c2ncc[nH]2)c1 19227489 NOAXHRDTBUJETA-UHFFFAOYSA-N 290.286 2.584 0 1 CFAF CN(C)C[C@H](O)[C@@H](Cc1ccccc1)c1ccccc1 169314839 MEPBLVVYTHGDGY-ROUUACIJSA-N 269.388 2.935 0 1 CFAF CN1CC[C@H](C(=O)c2cncc(-c3cccc(F)c3)c2)C1=O 205750708 KDMAXLPRWBEKGY-OAHLLOKOSA-N 298.317 2.549 0 1 CFAF C[C@@]1(O)CC[C@H]2[C@@H](C=C[C@@]3(C)OC(=O)CC[C@]23C)C1 1857751070 PVEDCQZJTQKQDQ-BHQQPIICSA-N 264.365 2.826 0 1 CFAF COc1ccc([C@](O)(c2ccccc2)c2cncnc2)cc1 28768936 PQTZEFFQCPAEDV-GOSISDBHSA-N 292.338 2.769 0 1 CFAF C[C@@H]1C(=O)N[C@H](c2ccc(N)cc2)c2ccccc21 33823691 FPUPDLSHPPVPLS-ZUZCIYMTSA-N 252.317 2.592 0 1 CFAF CC1=CCC[C@H](C)[C@H](C)OC(=O)C=C[C@](C)(O)C=C[C@H]1O 2356401874 RLNOIXQIRICASI-MKVSYHDVSA-N 294.391 2.519 0 1 CFAF Cc1cccc(CN(C2CCOCC2)[C@@H]2CCNC2)c1C 28948808 BGSBHLAICAANSC-GOSISDBHSA-N 288.435 2.646 0 1 CFAF OCCCN1[C@@H]2CC[C@@H]1c1c([nH]c3ccc(F)cc13)C2 100753497 QJONDYJKMHCZCZ-IAQYHMDHSA-N 274.339 2.751 0 1 CFAF Fc1ncc([C@H]2C[C@H]3CC[C@H]2N3)cc1-c1ccncc1 103249586 CEWXULHLBUPCIU-UMVBOHGHSA-N 269.323 2.891 0 1 CFAF O=CN1Cc2c(c3c(c4[nH]c5ccccc5c24)CCC3)C1=O 28570041 GMUQCHDWJUIYJD-UHFFFAOYSA-N 290.322 2.922 0 1 CFAF CCCc1nc(C)c2c(-c3ccccc3)nnc(O)n12 29467577 QFAIGXPINOHZMV-UHFFFAOYSA-N 268.320 2.758 0 1 CFAF CN(C)c1ccc(-c2nnc(-c3ccncc3)o2)cc1 28649346 PFSPYCLMLNGKMF-UHFFFAOYSA-N 266.304 2.865 0 1 CFAF CCCC(=O)CCOc1ccc(C=CC(=O)O)cc1OC 2356572924 SNLLNWNLKJEPMG-UHFFFAOYSA-N 292.331 2.931 0 1 CFAF Cc1c(C(C)C)c(=O)on1C(=O)N1C[C@H](C)C[C@@H](C)C1 26939340 QHIHWVFGLMAKMM-GHMZBOCLSA-N 280.368 2.819 0 1 CFAF CCCSc1nc(=O)cc(O)n1-c1ccc(C)cc1 1911578022 WLHDADRVWUMGMU-UHFFFAOYSA-N 276.361 2.749 0 1 CFAF CCN1C(=O)N[C@@H]2C(=C1C)C(=O)Nc1c(Cl)cccc12 45498523 CLVVOQGADUTINK-LBPRGKRZSA-N 291.738 2.652 0 1 CFAF FC1(F)CN(CCSc2nnc(-c3ccccc3)o2)C1 95755259 XEODTNFYBJWUNB-UHFFFAOYSA-N 297.330 2.780 0 1 CFAF Cc1cc(C[C@@H]2COc3ccccc3C2)cnc1N 92062073 YMFKMTFRLJFTSH-ZDUSSCGKSA-N 254.333 2.766 0 1 CFAF O=C(Oc1cccc2oc(=O)[nH]c12)c1ccc(Cl)cc1 95604460 ZFWCOBCNWWOUNW-UHFFFAOYSA-N 289.674 2.994 0 1 CFAF C/C=C/C(=O)N1C(=O)C=CC[C@@H]1/C=C/c1ccccc1 299831092 DINPMISJUMYNFQ-AWDKMRJCSA-N 267.328 2.960 0 1 CFAF COC(=O)C[C@H](C)Cc1nc2ccc(C(C)=O)cc2[nH]1 587787718 WEHJMLARMAJYJN-SECBINFHSA-N 274.320 2.507 0 1 CFAF Cc1cnc(Cl)c2[nH]c(CC(C)(C)CC(=O)O)nc12 587955492 KVGANHKEJKOLGK-UHFFFAOYSA-N 281.743 2.963 0 1 CFAF COc1ccc2nc(-c3cc4cc(N)ccc4o3)[nH]c2n1 587252335 CMTYDECNTPZROK-UHFFFAOYSA-N 280.287 2.962 0 1 CFAF C(=C/N1CCOCC1)\c1cc2c3c(cccc3n1)CC2 587213082 SYEINRLKXNDNEH-VOTSOKGWSA-N 266.344 2.636 0 1 CFAF O=[SH](=O)c1c(Cl)cc(Br)cc1Cl 1772592517 KHOGAPQVGMBQBL-UHFFFAOYSA-N 289.965 2.726 0 1 CFAF C[C@@H]1C[C@@H](CC2=[N+]([O-])CCCC2)[C@@H]2CCCN[C@@H]2C1 14441879 LOKZTKJBSRMBJH-BFJAYTPKSA-N 264.413 2.926 0 1 CFAF Cc1ccc(CCc2ccnc(NC(N)=O)c2)cc1 167089971 ZYQAKTAYDKFIMU-UHFFFAOYSA-N 255.321 2.666 0 1 CFAF CCc1nnc2c(O)nc3cc(Cl)c(Cl)cc3n12 7115 WFYBMPUPRLPKIT-UHFFFAOYSA-N 283.118 2.852 0 1 CFAF CCSC1=NCC(=O)N1c1ccccc1Cl 22377 NKELUJXWAWSVKG-UHFFFAOYSA-N 254.742 2.796 0 1 CFAF CC(C)(C)OC(=O)NCC[C@@H]1S[C@@H]2C=C[C@H]1C2 1647303 NOTIXZCRLVHBGB-AXFHLTTASA-N 255.383 2.961 0 1 CFAF CCOCCCNc1[nH]cnc2c3ccccc3nc1-2 101670410 XPWBENDIQCELDF-UHFFFAOYSA-N 270.336 2.901 0 1 CFAF O=c1cc(-c2cc3ccccc3o2)oc(N2CCOCC2)c1 101074770 FFDIMOCTDZWGJB-UHFFFAOYSA-N 297.310 2.890 0 1 CFAF in-vivo CC(=O)NC[C@@H]1C[C@H]1c1cccc2c1O[C@H](C(C)C)N2 28223507 KYVDHDJATMBERL-NORZTCDRSA-N 274.364 2.713 0 1 CFAF C[C@H]1CC(=O)c2c(cc3cc(O)cc(O)c3c2O)C1 28364389 KWNJWXKVBNJOOZ-SSDOTTSWSA-N 258.273 2.722 0 1 CFAF C[C@@H]1C(=O)OC2=C1[C@H](O)[C@]1(C)[C@H](C)CCC[C@@H]1C2 2356559037 VMUFDWQSKQTRRF-LZPHKIDHSA-N 250.338 2.641 0 1 CFAF Cn1cc(-c2cccc3c2CC[C@H]3c2ncc[nH]2)cn1 29048236 RGODJQWSYIQDDR-OAHLLOKOSA-N 264.332 2.888 0 1 CFAF CCOc1cccc(-c2nc(CNCCCOC)co2)c1 72183188 DDLVKIUQGLKDDB-UHFFFAOYSA-N 290.363 2.866 0 1 CFAF Oc1ccc2c(c1)[C@@H]1Oc3cc4c(cc3[C@@H]1CO2)OCO4 40420784 HJZIUUTWDFVGOK-ZBEGNZNMSA-N 284.267 2.731 0 1 CFAF COc1ccc(/C=C/[C@@]2(C)C=CC(=O)O2)c(OC)c1 96921231 XDQRGPABQCLWNI-VFADXPBXSA-N 260.289 2.589 0 1 CFAF OC1=C2C(=NC(=S)N[C@H]2c2cccc(O)c2)CCC1 617971638 DLLYKSCSVFKKGO-ZDUSSCGKSA-N 274.345 2.758 0 1 CFAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c[nH]c(=N)cc3[nH]2)n1 587080338 UIZHDUOUMLNNEI-SSDOTTSWSA-N 290.758 2.858 0 1 CFAF O=C(CCc1nc2ccc(O)cc2[nH]1)Nc1cccc(F)c1 587163215 ODIIKCSACNWPKY-UHFFFAOYSA-N 299.305 2.979 0 1 CFAF C[C@]1(c2nc3cnccc3[nH]2)C=C(c2ccccc2F)NO1 587156736 PLFQXAAXCXSLRW-MRXNPFEDSA-N 296.305 2.888 0 1 CFAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cccnc2[nH]1 586880634 AIXQJWFVOIMQMZ-UHFFFAOYSA-N 293.326 2.887 0 1 CFAF O[C@H]1CC[C@@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CC1 586899950 XIJYTRCYQSUJMF-OCAPTIKFSA-N 296.273 2.903 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ncc(C)nc1C)O2 587392973 ABMIIYNMRMHVQN-QGZVFWFLSA-N 297.358 2.865 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(c1ccoc1)[C@@H](C2)C3=O 587447887 ABUBYSRHSKUWKJ-LRDDRELGSA-N 270.284 2.951 0 1 CFAF O=C1CSc2ccc(-c3nc4cnccc4[nH]3)cc2N1 587043360 KXEAUJDBWOVFJF-UHFFFAOYSA-N 282.328 2.669 0 1 CFAF Oc1nc(-c2ccccn2)ncc1Cc1ccccc1F 68267936 JWCPDGGGMSRUIE-UHFFFAOYSA-N 281.290 2.974 0 1 CFAF Cn1cc([C@@]2(C)c3c(F)cccc3C[C@@H]3CCCN32)cn1 963099287 HBXIRJMKDLARSH-YOEHRIQHSA-N 285.366 2.843 0 1 CFAF COc1ccc2c(c1)[C@H](c1nccn1C)N(C(C)C)CC2 962093976 UUBBCBATLXPFRE-MRXNPFEDSA-N 285.391 2.785 0 1 CFAF CO[C@@H](CC(C)C)[C@@H]1c2ccsc2CCN1C(N)=O 962718965 VWMHKVISTDOFRI-AAEUAGOBSA-N 282.409 2.787 0 1 CFAF CC1(C)NC(=O)c2sc(-c3ccncc3)cc2N1 114221144 LHJWDAABBSKSEQ-UHFFFAOYSA-N 259.334 2.702 0 1 CFAF CCc1cc(OCc2nc3ccccc3o2)c(=O)[nH]c1C 5887500 ZEXDHQKXYJUHQY-UHFFFAOYSA-N 284.315 2.966 0 1 CFAF CC(C)CCNc1nccn(-c2ccc(F)cc2)c1=O 15732397 CNXFZGGINRAGAI-UHFFFAOYSA-N 275.327 2.830 0 1 CFAF CCOC(=O)[C@H]1C[C@H]2CC[C@H]([C@H]1c1cccs1)N2C 169341564 FDKYIJPHPFOWFX-CZXHOFHRSA-N 279.405 2.878 0 1 CFAF COc1ncccc1CN[C@H]1[C@H]2Cc3ccccc3[C@H]21 1857538687 DTUNXWAQEYIEPD-XHSDSOJGSA-N 266.344 2.518 0 1 CFAF COc1cc2c(cc1O)C(C(=O)c1ccccc1)=NCC2 27558174 BRKPCVZUGFZLDQ-UHFFFAOYSA-N 281.311 2.629 0 1 CFAF Cc1cc(C)cc(C2=NCCNc3c2c(C)nn3C)c1 28110759 GWEWWQKFCTYOEY-UHFFFAOYSA-N 268.364 2.608 0 1 CFAF O=C1NCCOc2ccc(OCc3ccc(F)cc3)cc21 103280284 VTCNSFZCZLCYNR-UHFFFAOYSA-N 287.290 2.527 0 1 CFAF CCCN1CCC=C(c2c[nH]c3ccc(C(N)=O)cc23)C1 26817609 ZTTUIDZWNYTSRP-UHFFFAOYSA-N 283.375 2.766 0 1 CFAF Cc1cccc(C(=O)N(CC(=O)O)C2CCCC2)c1S 26977867 HENWJMDWNWIQHK-UHFFFAOYSA-N 293.388 2.753 0 1 CFAF CN(C)C=C(C(=O)Nc1ccc(F)cc1)C(F)(F)F 2356855973 RVCUQODBKNYODX-UHFFFAOYSA-N 276.233 2.772 0 1 CFAF COc1ccc(Cn2c(C)c(Cl)nc(Cl)c2=O)cc1 38274440 FYCVIXDRQDKFOD-UHFFFAOYSA-N 299.157 2.915 0 1 CFAF CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)c1ccc(N)cc1 84671609 KBBKRZFTBKEACX-MRXNPFEDSA-N 296.370 2.906 0 1 CFAF O=C(Cc1ccccc1)[C@@H](O)Cc1c[nH]c2ccccc12 136232380 OLNJBNLERUYZTA-SFHVURJKSA-N 279.339 2.883 0 1 CFAF Clc1ccc(CCN2CCOCC2)cc1Cl 95591027 LAXFJFIZPUSPPT-UHFFFAOYSA-N 260.164 2.868 0 1 CFAF c1csc(CN2C[C@@H](n3cccn3)[C@H]3OCCC[C@H]32)c1 96185827 FPYGAIBNXXTHAU-KFWWJZLASA-N 289.404 2.549 0 1 CFAF COc1cc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2cn1 586884764 ITAGUTHRSFERLP-VWYCJHECSA-N 283.331 2.605 0 1 CFAF C[C@]1([C@H]2CO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616877 NHWKUGNXAHCQPF-CKEIUWERSA-N 298.294 2.511 0 1 CFAF O[C@@H]1C[C@H](c2nc3cc4c(cc3[nH]2)OCO4)c2ccccc21 586901908 JCIZXQJUXDFNCC-SMDDNHRTSA-N 294.310 2.861 0 1 CFAF COC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587803747 XPINCAXYUXLIDS-OIBJUYFYSA-N 288.160 2.810 0 1 CFAF CC(C)(C)c1ccc2nc(/C=C/S(C)(=O)=O)[nH]c2c1 586926283 MXBFTKWPUYVEMS-BQYQJAHWSA-N 278.377 2.876 0 1 CFAF CCN1CC[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C[C@H]1C 587397292 ZKCODWDSRSXBJV-PXAZEXFGSA-N 288.391 2.785 0 1 CFAF N[C@H](c1nc2c(Cl)ccnc2[nH]1)c1ccc(F)cc1F 587149322 DWTAAQJIOHCXRT-JTQLQIEISA-N 294.692 2.938 0 1 CFAF CCO/C=C(\C)[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587400229 PEVTWNLRRDQZBA-QSYFUGGGSA-N 261.321 2.851 0 1 CFAF Cc1cc2nc(-c3ccc(CO)cc3)[nH]c2c(C)n1 586895574 NLMVNBQQSYVZFL-UHFFFAOYSA-N 253.305 2.734 0 1 CFAF CCN1CCC[C@@H]1CN1Cc2ccc(Cl)cc2C1=O 12355965 SHAZWFJAAHPGKJ-CYBMUJFWSA-N 278.783 2.780 0 1 CFAF Cc1cc(Cl)c2[nH]c(C(=O)N3CCN(C)CC3)cc2c1 13678198 MMUYWWFIVZXABA-UHFFFAOYSA-N 291.782 2.517 0 1 CFAF CN(C)C[C@H](O)[C@H](Cc1ccccc1)c1ccccc1 169314841 MEPBLVVYTHGDGY-MSOLQXFVSA-N 269.388 2.935 0 1 CFAF CC1(C)C/C=C\CC[C@@H](O)[C@@H](O)CCC(C)(C)C1=O 5538577 BEWPNOHISJLCQR-XHSUHYBKSA-N 268.397 2.850 0 1 CFAF CCn1cc(-c2nc(NCC(C)C)c3ccncc3n2)cn1 1857548648 PQXFKRMUBABGND-UHFFFAOYSA-N 296.378 2.976 0 1 CFAF Cc1cc(-c2ccncc2)c(O)c2c1C[C@@H](C)OC2=O 1857601055 HLPOKMHSMMIVNT-SNVBAGLBSA-N 269.300 2.864 0 1 CFAF COc1ccc([C@H](C(=O)NC2CCCCC2)N(C)C)cc1 58012637 VIHWQDNGCVXWFT-MRXNPFEDSA-N 290.407 2.747 0 1 CFAF O=c1oc2c(O)c(O)ccc2cc1-c1ccccc1 34543431 MKULWOGXZZEYQF-UHFFFAOYSA-N 254.241 2.871 0 1 CFAF COc1c2c(cc3c1[nH]c1ccccc13)C(=O)C[C@@H]2O 84669327 VKERTODBIWZOJC-ZDUSSCGKSA-N 267.284 2.950 0 1 CFAF Nc1nc(-c2ccco2)c2nnn(CC3CCCCC3)c2n1 40401759 WFNUCTUSPKUZKF-UHFFFAOYSA-N 298.350 2.644 0 1 CFAF Fc1cncc(-c2cc(F)c3c(c2)CCc2nncn2-3)c1 143880395 LYMZNMZGYODBHC-UHFFFAOYSA-N 284.269 2.706 0 1 CFAF CCCNc1nc(N)c(C(=O)c2ccccc2)s1 96905504 HJFCSWBVMGVXBB-UHFFFAOYSA-N 261.350 2.778 0 1 CFAF CC1(C)OC(=O)C[C@@H]1c1nc2ccc(F)c(F)c2[nH]1 586906885 FRMMYIKTTZGLKI-ZCFIWIBFSA-N 266.247 2.650 0 1 CFAF Oc1nc(O)c2cc(C3CCCCCC3)cnc2n1 587561444 HVCKLDWVHRPAAF-UHFFFAOYSA-N 259.309 2.874 0 1 CFAF OCc1ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2c1 586900781 DKRREQWCYMQRPM-CZUORRHYSA-N 280.327 2.624 0 1 CFAF COc1cccc(CCc2nc3cncc(OC)c3[nH]2)c1 587930819 KSNIDCMGLLLAKF-UHFFFAOYSA-N 283.331 2.760 0 1 CFAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(CO)cc4[nH]1)(C3)C2 587968495 DUAGTSLGCWQLGG-UVDZGZHHSA-N 296.370 2.702 0 1 CFAF Cc1nc(C2CC2)sc1-c1nc2cncnc2[nH]1 587011091 CIPBPPGPUQBFNA-UHFFFAOYSA-N 257.322 2.662 0 1 CFAF N=c1cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2c[nH]1 587084418 MCLMNCYIOVAEMT-UHFFFAOYSA-N 280.118 2.739 0 1 CFAF NC(=O)Nc1ccc(-c2nc3cnc(Cl)cc3[nH]2)cc1 587243568 OJZIPDSHRFUHIU-UHFFFAOYSA-N 287.710 2.769 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(F)cn1)O2 587385992 GZNZVFHTNZZFKG-MRXNPFEDSA-N 286.306 2.992 0 1 CFAF COc1cc2nc([C@H](O)c3ccccc3Cl)[nH]c2cn1 587059334 ORLYOZIQIAEAFA-CYBMUJFWSA-N 289.722 2.702 0 1 CFAF Brc1ccc2c3c1CCCCN3CCNC2 1911580427 MFRUSLSKSYHARP-UHFFFAOYSA-N 281.197 2.695 0 1 CFAF N=C(N)N1CCC[C@@H](Cc2cccc3occc23)C1 1772637151 ZLIBCFZIBCZWNW-NSHDSACASA-N 257.337 2.581 0 1 CFAF Cc1cc(C)c2c(n1)N(C1CC1)c1ncccc1C(=O)N2 5930776 RUFQBYAUEBPVOC-UHFFFAOYSA-N 280.331 2.960 0 1 CFAF O=c1cc(CCc2ccccc2O)oc2cccc(O)c12 14455452 VJJIYNCAKZLESG-UHFFFAOYSA-N 282.295 2.989 0 1 CFAF biogenic,in-vitro COc1cc(CCc2ccccc2O)cc(OC)c1O 14505327 JCRLULKCRHDSOL-UHFFFAOYSA-N 274.316 2.900 0 1 CFAF biogenic,in-vitro Cc1cc(C)cc(NC(=O)COC(=O)[C@@H]2C[C@@H]3C=C[C@@H]2C3)c1 169293660 OVHYQYHJQLHVFR-IIAWOOMASA-N 299.370 2.997 0 1 CFAF O=C(Sc1cccnc1C(=O)O)c1ccc(F)cc1 169323691 CDHXLGHNCIKKBY-UHFFFAOYSA-N 277.276 2.851 0 1 CFAF CC(C)=C1C[C@H]2[C@@H](CC[C@]2(C)O)C(C)(C)OC1=O 205248194 PJLSRZWITOHTEG-XUJVJEKNSA-N 252.354 2.826 0 1 CFAF COC(=O)CC=C1c2ccc3c(c2[C@H](OC)[C@@H]1C)OCO3 1857623243 ZQDNTSRZBRBSHA-RFAUZJTJSA-N 290.315 2.699 0 1 CFAF Oc1ccc(-c2ccc([C@]3(O)CN4CCC3CC4)cc2)cc1 3792161 DMMXQRSFLVFTNK-LJQANCHMSA-N 295.382 2.972 0 1 CFAF CC(C)(C)c1ccc(C(=O)NN2CC=CCC2)cc1 27765538 VLWNXHRBSFLAAN-UHFFFAOYSA-N 258.365 2.891 0 1 CFAF O=S1(=O)C(c2ccccc2)=C(O)c2ccccc21 102977679 BKOLGSIXTJNDBS-UHFFFAOYSA-N 258.298 2.858 0 1 CFAF CCOC(=O)c1c(N)oc2cc(Cl)c(O)cc12 64503457 BBDGWACBNFHHCM-UHFFFAOYSA-N 255.657 2.551 0 1 CFAF C[C@H](O)C[C@@H]1CC=C[C@H](C[C@H](O)c2ccccc2)N1C 2356425330 CZHJFVUTFXWPCR-LLLHUVSDSA-N 275.392 2.510 0 1 CFAF C[C@H]1CC[C@@H]2[C@H](C)CC[C@]3(OCC=C3C(=O)O)[C@H]12 2356861890 UUUOAZAVWQGTNN-VZLBPVOXSA-N 250.338 2.859 0 1 CFAF NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1 64608329 OUZYXOJONCTZTI-VXGBXAGGSA-N 287.190 2.704 0 1 CFAF in-vivo COc1ccc(OC)c(NC(=O)[C@]2(C)CCN2C(C)C)c1 61896166 FTLFIUYDYQIYBG-INIZCTEOSA-N 292.379 2.515 0 3 CFAF CC[C@]1(CC(=O)O)OCCc2c1[nH]c1c(OC)cccc21 39198786 CJVBTTVRMUBYHX-MRXNPFEDSA-N 289.331 2.829 0 1 CFAF CC1=CC=CC2=NC[C@H](C(=O)c3ccccc3)CN12 43015726 HCCCXYXLHKNDRB-AWEZNQCLSA-N 252.317 2.673 0 1 CFAF COc1cc(C(=O)CCc2ccc(O)cc2)ccc1O 45498602 TUHGZJMRBSICPZ-UHFFFAOYSA-N 272.300 2.922 0 1 CFAF O=C(O)Cc1ccc(O)c2c1C(=O)C[C@@H](c1ccccc1)O2 238788085 ONWSGPNPJXIUIV-AWEZNQCLSA-N 298.294 2.726 0 1 CFAF OC1=C2C(=Nc3n[nH]c(O)c3[C@@H]2c2ccco2)CCC1 299851559 VSYYMEQAISAWMK-LLVKDONJSA-N 271.276 2.922 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(O)nc1)O2 587394014 PLPKQYGEWMYQMW-MRXNPFEDSA-N 284.315 2.558 0 1 CFAF CCNC(=O)CCc1nc2cc(C)c(Cl)cc2[nH]1 587229654 AKAPVINJWOFAKK-UHFFFAOYSA-N 265.744 2.593 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(C[C@H]1CCCO1)[C@@H](C2)C3=O 587456744 XXPCNFKNJKEIMI-BTJLNZGRSA-N 288.343 2.770 0 1 CFAF COc1cncc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c12 587137090 SNGRZSWKABRSHM-UHFFFAOYSA-N 294.236 2.633 0 1 CFAF CCc1ccc(Cc2cnc3nc(O)nc(O)c3c2)cc1 587560881 BEHPRFORXVHZMT-UHFFFAOYSA-N 281.315 2.589 0 1 CFAF CCOCCOCc1nc2cccc(Cl)c2[nH]1 587778221 IPWRFWCHLMNPCY-UHFFFAOYSA-N 254.717 2.769 0 1 CFAF CCCc1c(O)ccc2c1O[C@@]1(CCN[C@@H](C)C1)CC2=O 587484777 NPMWQBDPKFHDGA-APPDUMDISA-N 289.375 2.821 0 1 CFAF C[C@]1(c2cccc3oc(N)nc23)NCCc2ccc(O)cc21 963342765 SUVWYKVGTAIPIF-QGZVFWFLSA-N 295.342 2.525 0 1 CFAF C/C1=C\C[C@@H](O)/C(C)=C/[C@H]2OC(=O)[C@H](C)[C@@H]2CC1 5618732 RLHPCSSGTQNSJN-QMPNBSENSA-N 250.338 2.602 0 1 CFAF COc1ccc(CN(CCN(C)C)c2ccc(C)cn2)cc1 1857540462 OBBYOOWWGOFBHD-UHFFFAOYSA-N 299.418 2.967 0 1 CFAF c1ccc([C@@]23OC[C@H](Cn4c2nc2ccccc24)O3)cc1 100212637 LCXASZQUGJCXBG-GUYCJALGSA-N 278.311 2.666 0 1 CFAF in-man C[C@]12CO[C@]3(C(=O)Nc4nccs4)C[C@@H]1CC[C@@]23C 100489034 BTWJITAQMDZBHX-HBEIAFGSSA-N 278.377 2.677 0 1 CFAF Oc1c2nc3ccc(F)cc3c-2nc2n1CCCS2 101644480 WGWFAALIXCXRJX-UHFFFAOYSA-N 275.308 2.877 0 1 CFAF CC(C)N[C@@H](C)[C@@H](O)COc1cccc2ccccc12 28127775 CILPUBLECPRREJ-BBRMVZONSA-N 273.376 2.966 0 1 CFAF COc1c2c(cc(O)c1-c1cccs1)OCO2 25980406 ZFCSIWXVEBUMES-UHFFFAOYSA-N 250.275 2.858 0 1 CFAF CC[C@]12C=CCN3CC[C@]4(c5ccccc5N[C@@H]4C(=O)C1)[C@H]32 2356618482 VWEIHRBYFKZAQD-AKHDSKFASA-N 294.398 2.732 0 1 CFAF C[C@H](C(=O)OC1C[C@@H]2CC[C@H](C1)N2C)c1ccc(N)cc1 29463724 VGTWZPYFVWEXBL-AEZOWIDVSA-N 288.391 2.541 0 1 CFAF CCCc1c(O)ccc2c1O[C@](C)(CCC(=O)O)CC2=O 34187664 UASZRIUNGOYRRA-MRXNPFEDSA-N 292.331 2.933 0 1 CFAF O[C@@H]1CCCN(c2nccc3c2[nH]c2ccccc23)C1 28456340 HAUXWSFNSJPJBM-LLVKDONJSA-N 267.332 2.677 0 1 CFAF O=C(OCc1ccccc1)[C@@H]1COC(Cc2ccccc2)=N1 49052999 ZRJLXRFMXRCJNL-INIZCTEOSA-N 295.338 2.770 0 1 CFAF c1ccc(O[C@@H](C2=NCCN2)c2ccccc2)cc1 40972334 OABROWXKGQFLDH-OAHLLOKOSA-N 252.317 2.808 0 1 CFAF Fc1ccccc1CN(Cc1nnn[nH]1)c1ccccc1 95249662 WVVNYMXQSUJWTA-UHFFFAOYSA-N 283.310 2.546 0 1 CFAF CC(=O)Nc1ccc([C@H]2CN3CCCC[C@H]3CO2)cc1 299846532 CNZMWQSPPLYPPG-JKSUJKDBSA-N 274.364 2.571 0 1 CFAF COc1c(F)cc(-c2nc3ccnc(OC)c3[nH]2)cc1F 587134250 CTAAHVZPURBOLP-UHFFFAOYSA-N 291.257 2.920 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncn3ccccc13)O2 587393503 IFFCYOJLQAHXGQ-HNNXBMFYSA-N 293.326 2.931 0 1 CFAF CC(=O)c1ccc2nc(C(C)(C)SCC(=O)O)[nH]c2c1 586959826 QNMNFEGHVMVQNY-UHFFFAOYSA-N 292.360 2.818 0 1 CFAF O=C1C[C@H](C2CCNCC2)Oc2c1ccc1c2CCCC1 587528290 YQFXYZGZWQHFAM-QGZVFWFLSA-N 285.387 2.899 0 1 CFAF COc1ccc([C@@H]2C(=O)Oc3cc(OC)ccc3C2=O)cc1 957820221 LLGVBOKVIBVBBS-HNNXBMFYSA-N 298.294 2.589 0 1 CFAF CO[C@@H]1CC=C2CCN3CCc4ccc(O)cc4[C@]23C1 14929084 HJMBLPWMTXSDPK-WBVHZDCISA-N 271.360 2.585 0 1 CFAF Cc1ccc2oc(=O)c(CC(=O)c3cccs3)nc2c1 13118264 BENVXSHLZXFTBI-UHFFFAOYSA-N 285.324 2.983 0 1 CFAF CC1(C)O[C@](C)(c2nc3ccccc3[nH]2)CC[C@H]1CO 13215349 IRCXCKNENYJVPV-ZBEGNZNMSA-N 274.364 2.976 0 1 CFAF O=C1O[C@H](c2ccccc2)Cc2cc(O)cc(O)c21 13460097 OXRQIQYOXIHFBQ-ZDUSSCGKSA-N 256.257 2.552 0 1 CFAF O=C(NCCn1ccc(-c2ccccc2)n1)c1ccccc1 1857573242 LVSHXDXZBQASHP-UHFFFAOYSA-N 291.354 2.980 0 1 CFAF Cn1nccc1-c1ccc2nnc(-c3cccc(O)c3)n2c1 1857621012 PYIHVLKLDDFUBF-UHFFFAOYSA-N 291.314 2.502 0 1 CFAF O=C1CN=C(c2c(F)cccc2F)c2ccccc2N1 13651904 ASZUQJVPABRYFM-UHFFFAOYSA-N 272.254 2.754 0 1 CFAF CC1(C)C[C@]2(C)[C@@H]1[C@@H]1C[C@]1(C)[C@H](O)CC[C@]2(C)O 2356424875 XLQPEBGTWDBJAW-YMZCTANMSA-N 252.398 2.971 0 1 CFAF CCCSc1nc(=O)c(CC)c(O)n1[C@H](C)CC 100560263 ROXLNYPXVLHABC-SECBINFHSA-N 270.398 2.984 0 3 CFAF C[C@@H](N)c1csc(Nc2nncc3ccccc23)n1 61896324 MZRGEMYCBZBHGW-MRVPVSSYSA-N 271.349 2.850 0 3 CFAF CN1CC[C@]23c4cccc(O)c4O[C@H]2CCC[C@@H]3C1 45319993 MMWJAJXGSUFPKC-WPGHFRTFSA-N 259.349 2.527 0 1 CFAF CNc1nc(C)nc2c(-c3ccccc3Cl)cnn12 40861775 KVYBJNVFHHISFW-UHFFFAOYSA-N 273.727 2.795 0 1 CFAF CCC(=O)N1N=C(c2ccccc2N)SC1(C)C 82149071 OPYUYMBLDGZFAE-UHFFFAOYSA-N 263.366 2.652 0 1 CFAF CC1(C)C[C@H](O)C[C@](C)(CNc2cccc(C(N)=O)c2)C1 84634027 ANNUATBROALFOB-YOEHRIQHSA-N 290.407 2.775 0 1 CFAF CCc1cccn1S(=O)(=O)c1ccc(C)cc1C 95593776 QFPDNAKLWROWCA-UHFFFAOYSA-N 263.362 2.904 0 1 CFAF C[C@H](CNCc1cccc(OC(C)(C)C)n1)C[C@@H](C)O 261103804 HANZWZYWTAIZOE-QWHCGFSZSA-N 280.412 2.756 0 1 CFAF CN=c1sc2ccccc2n1C[C@@H](O)c1ccccc1 263592018 SZFADAJLSVNMSW-CQSZACIVSA-N 284.384 2.967 0 3 CFAF COc1cc(/C=C/COC(=O)C(C)C)ccc1OC(C)=O 473104092 OGSFMPOADAQXHB-AATRIKPKSA-N 292.331 2.833 0 1 CFAF Brc1cc2nc(CCOCC3CC3)[nH]c2cn1 587784591 SCBLWNLBDSDVOA-UHFFFAOYSA-N 296.168 2.690 0 1 CFAF CCOC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527896 ZILWRQPTISQKMX-LBPRGKRZSA-N 260.333 2.936 0 1 CFAF CCc1nc(C)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)[nH]1 587396724 OFHGWKMJEMEGBD-ZDUSSCGKSA-N 285.347 2.878 0 1 CFAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(Cl)cnc2[nH]1 587960945 CVRMGZNHWNSNGS-YUMQZZPRSA-N 263.728 2.769 0 1 CFAF Cc1cnc2[nH]c(CCC(=O)c3ccc(N)cc3)nc2c1 587252071 VAKVOHRQRSANHA-UHFFFAOYSA-N 280.331 2.664 0 1 CFAF C[C@@H]1CCc2nn(CC(=O)N3CCc4ccccc43)cc2C1 5147847 QUUABXCXZOATJN-CYBMUJFWSA-N 295.386 2.597 0 3 CFAF CCc1cc(NCc2cccc(OC)c2)c(=O)[nH]c1C 5887237 KLRXTTMCXPTAGO-UHFFFAOYSA-N 272.348 2.866 0 1 CFAF CN1CCc2cc3c(cc2[C@@H]1Cc1ccc(O)cc1)OCO3 13397177 VTOOEPLHEDZMBL-INIZCTEOSA-N 297.354 2.893 0 1 CFAF CCC[C@@H](C(=O)c1ccc(CO)cc1)N1CCCC1 13682072 FDCLNKXJEZCPEW-HNNXBMFYSA-N 261.365 2.626 0 1 CFAF C=CC(=O)Nc1cccc(-c2nc(Cl)nc3n[nH]cc23)c1 169701950 MOBPAJVDZWZBRJ-UHFFFAOYSA-N 299.721 2.798 0 1 CFAF N=c1[nH][nH]c2ccc(C(=O)Nc3ccccc3Cl)cc12 1857591406 GQHZTWZYZYVKGA-UHFFFAOYSA-N 286.722 2.881 0 1 CFAF NC1=N[C@H](c2ccc(F)cc2)Nc2cccc(F)c21 13493547 AKOSZLBIPKPADG-CQSZACIVSA-N 259.259 2.794 0 1 CFAF O=C(O)Cc1ccc2c(c1)C(=O)c1cc(F)ccc1CO2 39207930 SLTXDERBAUTRRJ-UHFFFAOYSA-N 286.258 2.576 0 1 CFAF CCCCNC(=O)c1ccc2c(c1)N(CC)C(=O)CS2 3040849 RXSRXJPFYOKGAB-UHFFFAOYSA-N 292.404 2.675 0 3 CFAF C[C@@H]1[C@H](OC(=O)[C@H](O)c2ccccc2)CCC(C)(C)N1C 3872539 SXLHPJQSZRLJAE-BPLDGKMQSA-N 291.391 2.525 0 3 CFAF biogenic,in-man CCCCC[C@@H]1OC(=O)[C@H](C)C(=O)C[C@H]2CC[C@H]1O2 2356386989 CYCBXRCNOSGYGS-MHDGFBEUSA-N 268.353 2.635 0 1 CFAF CC(=O)N1[C@H](c2ccc(C)cc2)SC(C)(C)[C@@H]1C(=O)O 6503581 OOKWFQQDDHURHZ-STQMWFEESA-N 293.388 2.821 0 1 CFAF O=c1ccc(Nc2c(Cl)cccc2Cl)n[nH]1 103211282 CVEBOIYYFQJXHN-UHFFFAOYSA-N 256.092 2.820 0 1 CFAF CCCC[n+]1cccc2c1CC[C@@H]1CC[C@H](O)C[C@@H]21 58583746 FVGWACKJRIODEP-OFQRWUPVSA-N 260.401 2.965 0 1 CFAF NC[C@@H]1C[C@]1(C(=O)Nc1ccccc1)c1ccccc1 29127672 CBSPAZYMJJLPIY-YOEHRIQHSA-N 266.344 2.542 0 1 CFAF CCc1ccc([C@H]2C[C@@H]3CC[C@@H](N3)[C@@H]2C(=O)OC)cc1 27299680 VQVUZWDWIQWSQU-ZJIFWQFVSA-N 273.376 2.646 0 1 CFAF c1cncc(-c2ccc3c(c2)C[C@H]2CNC[C@@H]3C2)c1 28469844 MMBSWSRTSFXQOO-WBMJQRKESA-N 250.345 2.998 0 1 CFAF O=c1oc2ccccc2c(O)c1-c1cccc(O)c1 84688060 JNIIVXZLGQYFIX-UHFFFAOYSA-N 254.241 2.871 0 1 CFAF COc1cc(C2=C[C@@H]3CNC[C@H](C2)C3)cnc1Cl 95578088 IMWUFTIDVKJBTJ-ZJUUUORDSA-N 264.756 2.756 0 1 CFAF c1ccc(-c2nc3ncccn3c2CN2CCCC2)cc1 473086198 HDQCZEDNBKMKNL-UHFFFAOYSA-N 278.359 2.992 0 1 CFAF CCCCN1CCN(C(=S)SCCC)CC1 653917151 APSGFBGBSQCGGD-UHFFFAOYSA-N 260.472 2.832 0 1 CFAF CC[C@@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587528551 BRTZEWCGEWVQRN-INIZCTEOSA-N 274.316 2.764 0 1 CFAF Nc1ccnc2nc(-c3cc4c(s3)CCC4)[nH]c12 587037756 YDXCVTDBUVIVJL-UHFFFAOYSA-N 256.334 2.757 0 1 CFAF NC1CCC(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CC1 587256881 SNGGNJYWGBUCSW-UHFFFAOYSA-N 295.289 2.869 0 1 CFAF Fc1cccc([C@H]2C[C@@H]2c2nc3cnncc3[nH]2)c1 587161650 PDFRWDXMSZAUJV-MNOVXSKESA-N 254.268 2.763 0 1 CFAF Cc1cnc(Cl)c2[nH]c(C[S@@](=O)CC3CC3)nc12 586959783 QKXWYOSTHZAWMQ-SFHVURJKSA-N 283.784 2.578 0 1 CFAF O=C(/C=C\c1nc2cnccc2[nH]1)Nc1ccc(F)cc1 587166611 FFGJMARHBJRPJE-WAYWQWQTSA-N 282.278 2.749 0 1 CFAF Cc1c(Br)cnc2[nH]c(CC3CC3)nc12 587959420 NFRUNTMXCJYFPY-UHFFFAOYSA-N 266.142 2.981 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccnc1F)O2 587387557 USWSEMVKTQUZHD-INIZCTEOSA-N 286.306 2.992 0 1 CFAF COC(=O)[C@H](C)C[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587397825 BSZKWDFAGXZQGH-HWPZZCPQSA-N 291.347 2.500 0 1 CFAF COC(=O)/C(Cl)=C1/C[C@@H]1COCc1ccccc1 5811176 JVIKDNHESWBKRY-GXZRWPEMSA-N 266.724 2.889 0 1 CFAF CC(=O)O[C@H]1CC=C(C)[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]12C 5881430 NESWKHBGLOAXDL-AHDJHLLFSA-N 292.375 2.862 0 1 CFAF COc1cc([C@@H]2CC(=O)c3ccc(O)cc3O2)ccc1O 14806309 VSYNGSXKXHXJHX-AWEZNQCLSA-N 286.283 2.813 0 1 CFAF NC(=O)c1cc2c(-c3cccc(C(N)=S)c3)cccc2[nH]1 1857578117 ZQBKXWIEQOGWBD-UHFFFAOYSA-N 295.367 2.568 0 1 CFAF O=C(O)c1cccc(-n2cc(COc3ccccc3)nn2)c1 1254099215 WDEYBCCPWFVXHT-UHFFFAOYSA-N 295.298 2.545 0 1 CFAF CC(C)(CO)CCCCNCCCCC(C)(C)CO 28566802 KRGFJELEKNEBOI-UHFFFAOYSA-N 273.461 2.954 0 1 CFAF Oc1nc2cccc3c2n1C[C@H](c1ccccc1)NC3 6582214 UHTVNMQZJAMHQL-CQSZACIVSA-N 265.316 2.586 0 1 CFAF COc1ccc(C2=NCCO2)cc1OC1CCCC1 1019617 PUPLJPNJIVWAQN-UHFFFAOYSA-N 261.321 2.793 0 1 CFAF C[C@H]1CN1P(=O)(Oc1ccccc1)N1C[C@H]1C 4802639 JCBGYJPACKELTI-MPNQCLECSA-N 252.254 2.582 0 1 CFAF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(F)c(Cl)c1 101006360 NYINCMQJDVVGCO-RRGXMBOYSA-N 291.709 2.791 0 1 CFAF CN1CCN(c2ccnc(-c3ccsc3)c2)CC1 59114253 SEEYCJAMJXMZMD-UHFFFAOYSA-N 259.378 2.562 0 1 CFAF OC[C@@H](c1ccccc1)N1CCC(O)(c2ccccc2)CC1 28708135 WYCQQHODYWNXIA-SFHVURJKSA-N 297.398 2.704 0 1 CFAF CC(C)[C@@]1(C)OC(NC2C3CC4CC(C3)CC2C4)=NC1=O 28823995 FYPQNECNGUIGML-POGRXXCZSA-N 290.407 2.728 0 1 CFAF CC(=O)C[C@@H]1CCC[C@H](C[C@H](O)c2ccccc2)N1C 85855888 UNEVXLRBMRPLDP-BBWFWOEESA-N 275.392 2.942 0 1 CFAF CC1=C[C@]2(C)[C@H](C)CC=C[C@]2(CCC(=O)O)OC1=O 2356799449 ULVSTVCBVJUBTL-KCPJHIHWSA-N 264.321 2.695 0 1 CFAF CCCNC(=O)[C@@]1(C)CCCN(Cc2cccs2)C1 61908459 AMCURNYDQFZLOF-HNNXBMFYSA-N 280.437 2.876 0 3 CFAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(F)cc1)O2 36093316 UNNABHWRKRTYKT-MQYQWHSLSA-N 264.296 2.650 0 1 CFAF CN1[C@H]2CC[C@H]1[C@@H](/C=C/CO)[C@@H](c1ccccc1)C2 253643338 BAROFIYZXNPKFU-JKARVITHSA-N 257.377 2.801 0 1 CFAF Cc1[nH]c2ccccc2c1-c1ccnc(N[C@@H](C)CO)n1 299849402 HIMVQFBLMKVWRL-JTQLQIEISA-N 282.347 2.726 0 1 CFAF COC(=O)[C@@H](COC(=O)c1ccccc1)c1ccccc1 653722931 ZGURFJGJYHKCGH-HNNXBMFYSA-N 284.311 2.800 0 1 CFAF Cc1nc(C2CC2)sc1-c1nc2cc(=N)[nH]cc2[nH]1 587013227 ZVTTYPGNMAKUIN-UHFFFAOYSA-N 271.349 2.680 0 1 CFAF COC(=O)c1ccnc2[nH]c(-c3ccc(C)cc3OC)nc12 587924704 BRLJZAGPSOWPLJ-UHFFFAOYSA-N 297.314 2.729 0 1 CFAF Fc1cnc2[nH]c(C(F)(F)c3ccccn3)nc2c1 587089715 GVTFIXKOSMYMHB-UHFFFAOYSA-N 264.210 2.632 0 1 CFAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(CCO)cc3[nH]1)C2 586884335 HCQQKDCAAYYUGE-MELADBBJSA-N 296.370 2.737 0 1 CFAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)OC)CC2=O 587479260 MKQUANUAAGEQSA-MRXNPFEDSA-N 292.331 2.632 0 1 CFAF COc1ccc2c(c1)C(C)(C)[C@H]1C[C@H]2CN(C(C)=O)C1 1772622575 JXPYTFFBUQOLGV-STQMWFEESA-N 273.376 2.938 0 1 CFAF CN1CCC2(CC1)Oc1ccccc1[C@@H]2n1cccc1 29318756 ZUAMGAODWYGAHS-INIZCTEOSA-N 268.360 2.934 0 1 CFAF NCCCNc1nc(-c2ccccc2O)nc2ccccc12 2365496 VIQWLKJTZBWAFF-UHFFFAOYSA-N 294.358 2.763 0 1 CFAF in-vitro CCCCC[C@H](O)/C=C/[C@H]1CCC[C@@](O)(CC(=O)O)C1 26403004 WBWCYGPCAAUUOR-NEQSBKTGSA-N 284.396 2.880 0 1 CFAF CNc1nc(Cl)c(SC)c(N2CCCCC2)n1 29238604 KELHMOYESHEYDB-UHFFFAOYSA-N 272.805 2.884 0 1 CFAF CC[C@@H](C)N1CCC(NC(=O)c2cc(C)ccc2O)CC1 29398447 NFYMPMXPAJPCPO-CYBMUJFWSA-N 290.407 2.693 0 1 CFAF O=C(Nc1cccc(Cl)c1)Nc1ncnc2[nH]ncc12 39369470 MWOAEOUQRDVRML-UHFFFAOYSA-N 288.698 2.650 0 1 CFAF N#Cc1ccc(-c2cc(=O)c3ccc(O)c(O)c3o2)cc1 34018401 BWDWLVNXBLHNLF-UHFFFAOYSA-N 279.251 2.743 0 1 CFAF CN(C)CC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 148952272 ZGHQVNYQNYKDCM-HNNXBMFYSA-N 282.815 2.665 0 1 CFAF CNC(=O)c1ccc(Oc2ccc(Cl)cc2O)o1 95601815 NUKCZCATJRTEPZ-UHFFFAOYSA-N 267.668 2.791 0 1 CFAF CC(=O)Nc1nc2ccc(-c3ccc(N)nc3)cc2s1 96283500 WNYMKNYCLRXAIM-UHFFFAOYSA-N 284.344 2.899 0 1 CFAF COC(=O)[C@@H]1[C@@H]2CCC[C@H]1N(CCc1ccccc1)CC2 473114120 MJRYGUXCXVQUDH-BRWVUGGUSA-N 287.403 2.893 0 1 CFAF O=C(/C=C/c1nc2cccnc2[nH]1)Nc1ccc(F)cc1 587166713 HETMSVFYFFKZNO-BQYQJAHWSA-N 282.278 2.749 0 1 CFAF COc1ccc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2n1 587137243 VTMRUMXVKHPUBO-UHFFFAOYSA-N 294.236 2.633 0 1 CFAF Clc1c[nH]c2nc(-c3ccc(Br)o3)nc-2n1 587008319 SOQQINIKNJFSMO-UHFFFAOYSA-N 299.515 2.980 0 1 CFAF C[C@@]1(c2nc3cnccc3[nH]2)C=C(c2ccccc2F)NO1 587156735 PLFQXAAXCXSLRW-INIZCTEOSA-N 296.305 2.888 0 1 CFAF CCCc1c(O)ccc2c1O[C@](C)(c1cn[nH]c1)CC2=O 587482879 JZPATKAHKYOEED-INIZCTEOSA-N 286.331 2.948 0 1 CFAF CC(C)[C@@H](c1nc2c(Cl)ccnc2[nH]1)N(C)C 587198298 FBIUQWIVXYGKCH-JTQLQIEISA-N 252.749 2.870 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C1=COCCC1)O2 587411894 LNZXOSMNOYABBP-CQSZACIVSA-N 259.305 2.605 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C)N(C)C[C@@H]1C)O2 587396535 UHLHSMFNRRVLIO-JKDFXYPNSA-N 288.391 2.641 0 1 CFAF C[C@@H](c1ccccc1)c1cnc2nc(O)nc(O)c2c1 587562297 VNHAMUBKRKOFQI-VIFPVBQESA-N 267.288 2.588 0 1 CFAF Cc1nc([C@@H]2c3ccsc3CCN2C(N)=O)sc1C 962719552 XEXBIEVJFOJEBY-NSHDSACASA-N 293.417 2.848 0 1 CFAF OCCc1c(O)ccc2c1O[C@H](c1ccc(O)cc1)CC2 13327693 IYBCLDNCTNLTDC-INIZCTEOSA-N 286.327 2.699 0 1 CFAF COc1ccc2c(c1)c1c(n2C)CCC[C@@H]1CNC(C)=O 13755764 CYOQJCSHEFAKNY-GFCCVEGCSA-N 286.375 2.743 0 1 CFAF in-vitro CC[C@@]1(C)SC(NCC2CCCCC2)=NC1=O 14978696 GTQGEQUWUJUZPN-CYBMUJFWSA-N 254.399 2.954 0 1 CFAF COC[C@@]12N[C@@H](Cc3ccccc31)c1ccccc12 26012727 CGNHFLLBSFJUGU-DLBZAZTESA-N 251.329 2.777 0 1 CFAF CC(=O)NCc1ccc2c(c1)c1ccccc1n2C 26184985 MNYCDKPEAONBQK-UHFFFAOYSA-N 252.317 2.968 0 1 CFAF Cc1noc(C)c1-c1cncnc1NCc1cccnc1 4258357 VEXYCPITMDKASI-UHFFFAOYSA-N 281.319 2.756 0 1 CFAF Cc1cc(O)ccc1-c1nn(C(C)C)c2ncnc(N)c12 8581891 FAWGCSGOLCHXBH-UHFFFAOYSA-N 283.335 2.670 0 1 CFAF COc1ccc(Nc2nc(C)nc3c2C[C@@H](C)N3)cc1 64453732 XZMUWGJACYTCIN-SECBINFHSA-N 270.336 2.894 0 1 CFAF CCC1(CC)CNC(=O)c2[nH]c3ccc(OC)cc3c21 28901747 CLOCLFANNHMWJJ-UHFFFAOYSA-N 272.348 2.978 0 1 CFAF CN(CC/C=C/c1ccccc1)CCc1c[nH]cn1 29400720 ZMIHOMHLKJCWOS-WEVVVXLNSA-N 255.365 2.988 0 1 CFAF O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1C1CC1 26295514 ITZYWHNBEHDVTA-UHFFFAOYSA-N 292.338 2.644 0 1 CFAF Cn1ccc(-c2cccc3c2CC[C@H]3c2ncc[nH]2)n1 29048125 RDVMPVYUEVZOKC-CQSZACIVSA-N 264.332 2.888 0 1 CFAF CC(C)(O)[C@@H]1CC[C@](C)(O)[C@]2(C)CC[C@@](C)(O)[C@]2(C)C1 2356792580 JWJOVQPNPYQUDW-FYNNLBNCSA-N 284.440 2.866 0 1 CFAF O=C(c1cnn2c1N[C@H](c1ccccc1)C2)N1CCCCC1 28704418 JREZOHWEVMLVDH-HNNXBMFYSA-N 296.374 2.676 0 1 CFAF C[C@@H]1Cc2c(c3cccnc3n(-c3ccccc3)c2=O)O1 28762096 WEWRTHHBZZTDFM-LLVKDONJSA-N 278.311 2.709 0 1 CFAF COc1ccc(C2=NCCn3nc4ccccc4c32)cc1 36387369 GMPCCHYBGCHTCN-UHFFFAOYSA-N 277.327 2.896 0 3 CFAF CCCCC[C@H](C)NC[C@H](O)c1cc(O)cc(O)c1 137161738 DFGXCGQPCWUBML-NHYWBVRUSA-N 267.369 2.690 0 1 CFAF Cc1cccc(CNC(=O)Cc2c(C)noc2C)c1C 84671772 JTPKQTADTORNFL-UHFFFAOYSA-N 272.348 2.767 0 1 CFAF C[N+]1=C2C(c3ccccc3)=[N+]([O-])c3ccccc3N2CCC1 40393573 QDBAPGDAMMRTTL-UHFFFAOYSA-N 292.362 2.582 0 1 CFAF C[C@H]1C[C@@H]2CCC[C@H]3N2[C@@H](C1)C[C@H]1CCCC(=O)N31 238768831 IWSJXTCXZSUCNS-RMEBNNNOSA-N 262.397 2.750 0 1 CFAF N[C@@H]1C[C@H]1c1cccc(NC(=O)c2ccccc2)c1 299853515 LWZOXNDYTWHCNC-LSDHHAIUSA-N 252.317 2.754 0 1 CFAF O=C(O)c1ccccc1/C=C/c1nc2cccnc2[nH]1 586881335 WRIBTBAGSPERRV-BQYQJAHWSA-N 265.272 2.827 0 1 CFAF COC(=O)c1cccc2nc(CCc3cccc(O)c3)[nH]c12 586896328 PWGNPDIDTFGJQT-UHFFFAOYSA-N 296.326 2.840 0 1 CFAF O=C1c2ccoc2CC[C@H]1Cc1nc2cc(F)cnc2[nH]1 586906340 BOZVBGYBHAKYNK-QMMMGPOBSA-N 285.278 2.678 0 1 CFAF O=C(O)Cc1c(-c2ccccn2)[nH]c2cc(F)ccc12 587636708 DYGQKOLFINGEGO-UHFFFAOYSA-N 270.263 2.996 0 1 CFAF CCOC(=O)[C@@H](C)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587398990 HDDQZFXGQXPTBY-QLJPJBMISA-N 291.347 2.500 0 1 CFAF C=C(NC(C)=O)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587204003 TWHZNSUHGUGXSS-UHFFFAOYSA-N 285.225 2.568 0 1 CFAF O=C(O)Cc1c(-c2ccc[nH]2)[nH]c2cc(F)ccc12 587636917 PLKKJVNGGVKPNC-UHFFFAOYSA-N 258.252 2.929 0 1 CFAF FC(F)=C(C[C@H]1CCCN1)c1nc2c(Cl)ncnc2[nH]1 587088270 KOUCEFVRNDOAAS-ZCFIWIBFSA-N 299.712 2.756 0 1 CFAF N[C@H]1CC[C@@H]1c1nc2ccc(OC(F)(F)F)cc2[nH]1 587246778 NLZVZHXQBSACBN-YUMQZZPRSA-N 271.242 2.666 0 1 CFAF Cc1cccc2c1[C@@]1(NCCc3cccc(Cl)c31)C(=O)N2 963390620 LOVHOIIPPBNKMV-KRWDZBQOSA-N 298.773 2.990 0 1 CFAF Cc1ccc(Cl)c(OCCCCN[C@@H](C)CO)c1 1857649333 VFIGIMLNNZPCFD-LBPRGKRZSA-N 271.788 2.778 0 1 CFAF CC(=O)Oc1c(C)c2c(c3ncccc13)O[C@@H](C)C2 13215504 WPNQXAYWWOHDQA-QMMMGPOBSA-N 257.289 2.792 0 1 CFAF NC(=O)N(O)Cc1ccc(Sc2ccccc2)o1 13762919 ARYDJLQTRKCFLA-UHFFFAOYSA-N 264.306 2.701 0 1 CFAF C[C@@H](COc1cnc(Cl)c(Br)c1)N(C)C 13819635 UKVGZTUMKBTQQQ-ZETCQYMHSA-N 293.592 2.826 0 1 CFAF COc1cc2c(cc1O)[nH]c1c(O)cc(C=O)cc12 14777238 DXANPWQHYGXKCD-UHFFFAOYSA-N 257.245 2.553 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2ccccc2)C[C@@H]2CCC[C@@H]1N2C 169326137 BKQAVNYMOZGBMJ-XUWVNRHRSA-N 273.376 2.816 0 1 CFAF c1ccc2[nH]c(-c3ccc([C@@H]4CNCCO4)cc3)nc2c1 205110050 HUSAHSKGFYBPMJ-INIZCTEOSA-N 279.343 2.891 0 1 CFAF C[C@@H]1CC(C)(C)C[C@@](O)(c2nnc(-c3cccnc3)[nH]2)C1 103176420 KACBNLYQQHALQP-BDJLRTHQSA-N 286.379 2.901 0 1 CFAF N[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccccc1 115225458 FCVSCBFMVWNZGA-MRXNPFEDSA-N 277.327 2.873 0 1 CFAF CSc1nc(-c2cccc(Br)c2)n[nH]1 28645996 QYLHXYONWUNDLP-UHFFFAOYSA-N 270.155 2.956 0 1 CFAF C[C@@H](CCNC(=O)c1cccc(Cl)c1)n1ccnc1 27618042 KNPRFNWLDZJYJF-NSHDSACASA-N 277.755 2.918 0 1 CFAF C[C@@H]1C(=O)O[C@H]2[C@@H]1CC[C@@H](C)[C@@H]1CCC(=O)[C@]12C 2356449663 UAISWGZBKOGPML-MQMSNWMVSA-N 250.338 2.579 0 1 CFAF Cc1nc2c(OCc3ccccc3)nccn2c1C 27433901 USFVWRVQNMXIIZ-UHFFFAOYSA-N 253.305 2.925 0 1 CFAF CN[C@@H](Cc1c[nH]c2cccc(CCC(C)C)c12)C(=O)O 32188618 MNTALGFTRRNUOZ-HNNXBMFYSA-N 288.391 2.972 0 1 CFAF in-vitro NC[C@H]1CC[C@@H](CCc2c(F)c(F)c(F)c(F)c2F)O1 34639698 IBMMANZZPBFJNC-NKWVEPMBSA-N 295.251 2.821 0 1 CFAF Cn1cncc1-c1cc2cc3c(cc2o1)O[C@H](C(C)(C)O)C3 72175477 KOYJTNWWQYXATJ-INIZCTEOSA-N 298.342 2.908 0 1 CFAF C=C1OC(=O)c2c(OC)cc(OC)c(C)c2OC1=C 84655480 KUBDLSAHQDHTEK-UHFFFAOYSA-N 262.261 2.589 0 1 CFAF CN1C(=O)CC[C@H]2[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](O)CC[C@H]12 253635764 SQCYNKYOQAZHHL-JDLPVFMESA-N 291.435 2.821 0 1 CFAF Cc1cc(C)cc(OCc2nc3cc(=N)[nH]cc3[nH]2)c1 587564321 IVLGHSOLDVYZGO-UHFFFAOYSA-N 268.320 2.566 0 1 CFAF CNc1c(F)cccc1-c1nc2ccc(C(=N)N)cc2[nH]1 587135454 BLHVSKXXKCUHRY-UHFFFAOYSA-N 283.310 2.695 0 1 CFAF Oc1nc(-c2nc3c(Br)ccnc3[nH]2)cs1 587018090 TYJGZWIPTQMBSX-UHFFFAOYSA-N 297.137 2.550 0 1 CFAF CO[C@@H](C)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587555651 QUYXYDLFTLRLSW-VIFPVBQESA-N 297.314 2.810 0 1 CFAF COC(=O)c1ccc2nc(-c3ccc(C)cc3F)[nH]c2n1 587146481 NFMYIBXYYAOVEX-UHFFFAOYSA-N 285.278 2.859 0 1 CFAF COc1cncc2nc(COc3ccc(C)cc3)[nH]c12 587565646 ONNFNRHYSLCJJF-UHFFFAOYSA-N 269.304 2.854 0 1 CFAF NC1CCC(c2nc3cc(C(F)(F)F)cnc3[nH]2)CC1 587256730 PMJKSHBHNOOXCC-UHFFFAOYSA-N 284.285 2.962 0 1 CFAF N=C(O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660170 OQPLYTRORLZAQR-UHFFFAOYSA-N 283.262 2.543 0 1 CFAF Cc1cc2nc(Cc3ccc(C(=O)O)cc3N)[nH]c2cc1F 587250850 ZZDRCBNKSBFMGH-UHFFFAOYSA-N 299.305 2.882 0 1 CFAF Oc1ccc2c(c1)[C@@H](c1ccnn1[C@@H]1CCCCO1)NCC2 963328927 JOULHNLOSUCDPC-IRXDYDNUSA-N 299.374 2.523 0 1 CFAF NC(=O)[C@@H]1CC[C@H]2c3cc(Cl)ccc3N[C@H]2C1 1857609034 YLRRWSFYZRTZFD-FDOIEUKUSA-N 250.729 2.503 0 1 CFAF Cc1sc(-c2ccncc2)nc1OCCN1CCCC1 1857768040 QGFMMGHVNCPDOJ-UHFFFAOYSA-N 289.404 2.988 0 1 CFAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1OC[C@@H]2O 169345318 JHBGIEZIDJQZJI-SMLCLMEVSA-N 274.360 2.598 0 1 CFAF C[C@H]1C(=O)S[C@@](C)(Cc2ccc(F)cc2F)C1=O 169717847 JKBFWVGNESKGRB-UHLUBPPHSA-N 270.300 2.745 0 1 CFAF Cc1c(C)n(CCCc2ccccc2)c2nc(=O)oc(O)c12 169721488 KGGJQHJXZKQZIQ-UHFFFAOYSA-N 298.342 2.945 0 1 CFAF CCCN(CCC)CCc1ccc(O)c2[nH]c(=O)ccc12 29484854 HCUFMZJEROQHKA-UHFFFAOYSA-N 288.391 2.898 0 1 CFAF O=C(O)CN1CCC[C@H](Cc2c[nH]c3ccccc23)C1 1655834 AXAHQCGSEIRMQJ-GFCCVEGCSA-N 272.348 2.507 0 1 CFAF COc1cc(OC)c(C(=O)c2ccc(O)cc2)c(OC)c1 3473418 ZUURCCMODYVZRR-UHFFFAOYSA-N 288.299 2.649 0 1 CFAF Cc1ccc(C(=O)NC2CCCC2)cc1N1CCCC1=O 4991253 FICZGGZMPUEDRI-UHFFFAOYSA-N 286.375 2.794 0 1 CFAF CCCN1CCO[C@@H](c2cccc(-c3ncc[nH]3)c2)C1 28957386 ASQKPZFQDFQZCR-OAHLLOKOSA-N 271.364 2.860 0 1 CFAF CCN(C)C(=O)/C=C1\CCc2c(F)cc(F)cc21 27328389 GXSNQQSLEOUVRZ-RMKNXTFCSA-N 251.276 2.773 0 1 CFAF Nc1ccc2c(c1Br)N=CCN2c1ncc[nH]1 28250341 JHVGAHCAEDYYQR-UHFFFAOYSA-N 292.140 2.608 0 1 CFAF Cc1oncc1C(=S)Nc1ccc(N(C)C)cc1 26292769 OIVNBQZGSRWSPX-UHFFFAOYSA-N 261.350 2.837 0 1 CFAF C[C@H](C(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1F 64448057 YDEVCGCLYOHOIL-ONGXEEELSA-N 264.296 2.926 0 1 CFAF in-vivo CCn1c(=O)n([C@H](CCN)c2ccccc2)c2ccccc21 34986468 CFRDDSRHIVKVRS-OAHLLOKOSA-N 295.386 2.761 0 1 CFAF C[Si](C)(C)C[C@@](O)(Cn1nccn1)c1ccc(F)cc1 195955554 AGLZCGVFHDFKMZ-AWEZNQCLSA-N 293.418 2.643 0 1 CFAF CC1=CC[C@]2(C)C[C@H]1[C@]1(C(=O)O)CC[C@@H](O)[C@]21C 85592961 UWZMKQPUYRHXRE-BBIZWXPBSA-N 250.338 2.595 0 1 CFAF COc1cc2c3c(c1O)C(=O)O[C@H]3[C@H](C(C)C)CC2 238749247 KOVUJUAMDOMNJU-XPTSAGLGSA-N 262.305 2.831 0 1 CFAF COc1ccc(Cc2nc3ccc(OC)nc3[nH]2)c(F)c1 587149887 VQOODAVPKQWGDQ-UHFFFAOYSA-N 287.294 2.705 0 1 CFAF N[C@H]1CC[C@@H]1c1nc2cccc(Br)c2[nH]1 587246834 PIRFGVRKMYLOCI-XPUUQOCRSA-N 266.142 2.530 0 1 CFAF CCOC(=O)Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587777798 YEKDQYNJAWYFTE-UHFFFAOYSA-N 290.216 2.826 0 1 CFAF COC(=O)c1ccc2nc(-c3cnc(Cl)s3)[nH]c2n1 587023906 WRTYHTQLUIYRFY-UHFFFAOYSA-N 294.723 2.521 0 1 CFAF Cc1nn(C)cc1[C@]1(C)NCCc2c1sc(C)c2C 963013857 SFIQNLOOHXWMHW-HNNXBMFYSA-N 275.421 2.816 0 1 CFAF Cc1cc2c(cc1F)[C@@]1(CCNc3ncccc31)NCC2 962146446 OCEVSVMPPJOILB-KRWDZBQOSA-N 283.350 2.734 0 1 CFAF COC(=O)C1=C(c2ccc(F)cc2)C[C@@H]2CC[C@@H]1N2C 169331744 ZECSPXOBAAGUES-JSGCOSHPSA-N 275.323 2.619 0 1 CFAF C[C@@H]1Cc2ccc(-c3nc[nH]c4nccc3-4)cc2[C@@H]1NC#N 1857764712 FOOVWQSSBRMHTG-MEBBXXQBSA-N 289.342 2.880 0 1 CFAF COC(=O)[C@@H]1CCC(=O)N1c1cc(Cl)cc(Cl)c1 11726887 UAGIOQYDUIQKLB-JTQLQIEISA-N 288.130 2.662 0 1 CFAF CCCN1CC=C(c2c[nH]c3ccc(C(N)=O)cc23)CC1 13731909 PJDOUWGZAZZELV-UHFFFAOYSA-N 283.375 2.766 0 1 CFAF CCc1nc(C)nc2c(-c3cccc(C)c3)cnn12 26501975 CNNZFQDIAGKXNJ-UHFFFAOYSA-N 252.321 2.971 0 1 CFAF CCCCN(C)C(=O)c1cc2c(C)n[nH]c2s1 28564931 ORWCFWCLFTZXTR-UHFFFAOYSA-N 251.355 2.805 0 1 CFAF Cc1c(C(F)(F)F)noc1OCC(=O)N(C)C(C)(C)C 103189812 BBNIVSKVCKBOLH-UHFFFAOYSA-N 294.273 2.638 0 1 CFAF CC(C)C[C@H](N)c1csc(Nc2ncccn2)n1 61906874 NECKQPIYWLEZAA-VIFPVBQESA-N 263.370 2.723 0 3 CFAF CN1CC[C@]23CC(=O)CC[C@H]2[C@H]1Cc1ccccc13 64436455 JWTUKQUXWFYBJS-GVDBMIGSSA-N 255.361 2.554 0 1 CFAF COC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 26388432 CCDRAFCULRDJSC-DJKIJDTLSA-N 268.353 2.628 0 1 CFAF c1ccc(Nc2ncc3nnn(-c4ccccc4)c3n2)cc1 29042522 QVWXPISCAWQJJE-UHFFFAOYSA-N 288.314 2.954 0 1 CFAF CCN1C(=O)N[C@@H](CCc2ccccc2)[C@@H](C(C)=O)[C@@H]1C 72119974 ZGEBMMSVPHZVMT-VBNZEHGJSA-N 288.391 2.627 0 1 CFAF O=C(O)C1(Sc2ccnc3ccncc23)CCC1 220403181 BNIFIUXPVRBJPR-UHFFFAOYSA-N 260.318 2.729 0 1 CFAF COc1c(O)ccc(C(=O)CCc2ccc(O)cc2)c1O 238752705 UGBHPTFZIIKFES-UHFFFAOYSA-N 288.299 2.628 0 1 CFAF OC[C@H]1[C@@H]2c3ccccc3NC[C@@H]2N1CC1CCCCC1 95894092 NRWYCJXZGYCIFM-OKZBNKHCSA-N 286.419 2.821 0 1 CFAF O=C1Cc2cc(-c3ccc(Cl)cc3)ccc2C(=O)N1 653711352 BEGONPMARCFCSU-UHFFFAOYSA-N 271.703 2.820 0 1 CFAF C[C@H]1Cc2nc3cccc4c3c(c2C[C@H]1C(=O)O)CC4 587215471 ORULGJRAAIEIKE-JOYOIKCWSA-N 267.328 2.769 0 1 CFAF C[C@H]1CCc2sc(-c3nc4nc(=N)[nH]cc4[nH]3)cc2C1 587032820 BGBFFSUELWONKZ-ZETCQYMHSA-N 285.376 2.619 0 1 CFAF COc1cc(O)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587399830 MPUKBZOCIKLOJY-INIZCTEOSA-N 299.326 2.998 0 1 CFAF C[C@@H](F)[C@@H](N)c1nc2cc(Cl)nc(Cl)c2[nH]1 587122878 GXELYZKCVGUTKO-AWFVSMACSA-N 263.103 2.623 0 1 CFAF Nc1cc(-c2nc3ccc(Cl)nc3[nH]2)ccc1F 587139216 CBVKFZYDLNCBLI-UHFFFAOYSA-N 262.675 3.000 0 1 CFAF COc1cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2cn1 586907425 GLGKUEQHJVQUQS-UHFFFAOYSA-N 295.298 2.605 0 1 CFAF CCCn1ccnc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587390330 MEKFQLGEXSTCJM-CQSZACIVSA-N 285.347 2.890 0 1 CFAF CCOC1=C[C@@]2(CC1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587445499 ZNZZGJJKGJDSCY-CXAGYDPISA-N 286.327 2.896 0 1 CFAF COc1ccc(-c2nc3cccc(O)c3[nH]2)c(Cl)n1 587083869 PKDWOSGHWGIRRX-UHFFFAOYSA-N 275.695 2.993 0 1 CFAF CCNC(=O)CCc1nc2ccc3c(c2[nH]1)CCCC3 587230006 DKVQRNHIAXDXAE-UHFFFAOYSA-N 271.364 2.510 0 1 CFAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(CNC)N1 962952726 VPMLEWWBJLIOKR-BZNIZROVSA-N 257.381 2.527 0 1 CFAF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1cnccn1 963259798 USSAPTKBLJVHKW-HNNXBMFYSA-N 289.766 2.548 0 1 CFAF C[C@@H](O)Cc1nsc(Nc2ccc(F)c(Cl)c2)n1 82052390 FJIWCFGBALNKGS-ZCFIWIBFSA-N 287.747 2.998 0 1 CFAF CNCc1ccccc1Sc1ccc(CO)cc1N 13646020 MVOUTMRHQVFORJ-UHFFFAOYSA-N 274.389 2.632 0 1 CFAF C/C1=C/CC(=O)[C@H](C)C[C@@H]2OC(=O)[C@@H](C)[C@@H]2CC1 14453720 KLZWSNKEPLKAOS-MDWCNCLRSA-N 250.338 2.890 0 1 CFAF endogenous,in-man CN1C(=O)CC[C@H]2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@@H]21 169310070 SQCYNKYOQAZHHL-UYBGIQSRSA-N 291.435 2.821 0 1 CFAF C[C@]12CC[C@@H]3[C@@H]4CC[C@H](O)C[C@@H]4[C@H](O)C[C@H]3[C@H]1CCC2=O 2356390055 PDQDPBXUHQIIKF-GFUZELLBSA-N 292.419 2.540 0 1 CFAF Cc1cc2c(cc1O)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1[C@H](O)C2 2356393208 CRCGZPVGNSFIDX-HFTRVMKXSA-N 288.387 2.881 0 1 CFAF CN1C(=O)c2cc(CN)ccc2Oc2ccccc21 6481612 HBFCKIASRQZNBZ-UHFFFAOYSA-N 254.289 2.528 0 1 CFAF c1ccc([C@@H]([C@@H]2Cc3ccccc3O2)n2cncn2)cc1 26187099 AIINULPPMAAPPL-IRXDYDNUSA-N 277.327 2.871 0 1 CFAF COC(=O)[C@H]1[C@@H](c2ccc(F)c(C)c2)C[C@H]2CC[C@H]1N2C 101137654 JWQGRCSMNJKNOQ-XOUADPBQSA-N 291.366 2.873 0 1 CFAF CN1CCC(CC[C@@H]2C(=O)Nc3ccccc3C2=O)CC1 100650448 XGOMQTZAPRJNJX-AWEZNQCLSA-N 286.375 2.560 0 1 CFAF O=C1CCC(c2ccc(-n3cnc4ccccc43)cc2)=NN1 29211982 DGILEKCXNQODOP-UHFFFAOYSA-N 290.326 2.640 0 1 CFAF COc1nn(Cc2ccc(-c3ccccc3)cc2)c(=O)o1 103287190 PZHGVPUUVVWCLI-UHFFFAOYSA-N 282.299 2.560 0 1 CFAF c1cnc2[nH]cc(-c3nnc(NCc4ccncc4)o3)c2c1 103245742 NSPMTFIFPJRJDT-UHFFFAOYSA-N 292.302 2.620 0 1 CFAF O=c1[nH]c2ccccc2n1-c1nc2cc(F)ccc2o1 26656459 BXKSCEUJEPDZBI-UHFFFAOYSA-N 269.235 2.599 0 1 CFAF COC(=O)/C(CC(C)C)=C(\C(=O)OC)c1ccc(O)cc1 116296153 ADNALORXBBMMON-YPKPFQOOSA-N 292.331 2.538 0 1 CFAF CC1=CC[C@H](O)[C@H](C)C[C@@H]2OC(=O)[C@H](C)[C@@H]2CC1 2356656585 LAOQYXNUSDEVJK-DGTMBMJNSA-N 252.354 2.681 0 1 CFAF C[C@@H]1C=C[C@@H]2C[C@](C)(O)CC[C@H]2[C@H]1CCC(=O)O 2356685876 JCBGMXDVXDFMAS-ZHZXCYKASA-N 252.354 2.841 0 1 CFAF COC(=O)C/C=C1/c2ccccc2C[C@@H](OC)[C@H]1C 66123719 MTUFSMLKZVHUGN-PCKNOYNLSA-N 260.333 2.840 0 1 CFAF C=CC1=C(C(=O)NCCC)[C@H](c2ccc(F)cc2)OC1 73223458 DGJZAETYFCLAHF-HNNXBMFYSA-N 275.323 2.906 0 1 CFAF COc1ccc(-c2cc(=O)oc3ccccc23)cn1 136317161 WDJXGFKIKFCWNM-UHFFFAOYSA-N 253.257 2.864 0 1 CFAF O=Cc1cn(-c2ccc(O)cc2)nc1-c1ccc(O)cc1 49803744 DJBYYKCTAYNSOD-UHFFFAOYSA-N 280.283 2.763 0 1 CFAF CC[C@H](Cc1ccc(SC)cc1)NCCOC 48998369 YSKUUCVOZDYOHE-CYBMUJFWSA-N 253.411 2.966 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(C1(O)CCCC1)[C@@H](C2)C3=O 587448227 BBTBQLVLZMUXAM-BLLLJJGKSA-N 288.343 2.506 0 1 CFAF N=c1[nH]cncc1-c1nc(-c2ccc(F)c(F)c2)cs1 587922444 QXNBIZQNCWCXBO-UHFFFAOYSA-N 290.298 2.958 0 1 CFAF COc1ccc2nc(-c3cccc(CO)c3)[nH]c2c1 586894912 GOVNIJXWAKWKJQ-UHFFFAOYSA-N 254.289 2.731 0 1 CFAF C[C@@H]1O[C@H]1c1nc2ccc(Br)c(F)c2[nH]1 586916817 FSEWYKSAKBPMRJ-AJAUBTJJSA-N 271.089 2.924 0 1 CFAF Nc1ccc(F)c(Cc2nc3ccc(Cl)nc3[nH]2)c1 587141069 KGZVJULFOQROFB-UHFFFAOYSA-N 276.702 2.923 0 1 CFAF CC1(C)Cc2nc3cccc4c3c(c2C[C@@H]1O)CC4 587216042 REDWHFRZAZCODF-HNNXBMFYSA-N 253.345 2.819 0 1 CFAF Oc1nc(-c2nc3cnc4ccccc4c3[nH]2)cs1 587017464 LHBHXWMDZJLCQV-UHFFFAOYSA-N 268.301 2.940 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1cccnc1OC)[C@@H](C2)C3=O 587435752 JIZXGRNEUDBIKP-BLLLJJGKSA-N 297.310 2.588 0 1 CFAF COc1cc2nc([C@H]3CC(=O)OC3(C)C)[nH]c2cc1F 586911166 QPCSBOOCNJELOS-SSDOTTSWSA-N 278.283 2.520 0 1 CFAF COc1cc2c(cc1OC)[C@](C)([C@@H](C)N=O)N(C)[C@@H](C)C2 962626829 GGHMRZBTGFEWDO-USBNGQNGSA-N 292.379 2.950 0 1 CFAF C/C(=C\n1ccnc1)c1ccc2c(c1)CCC(=O)N2 595911 FCBATGXXEJIKGT-PKNBQFBNSA-N 253.305 2.786 0 1 CFAF O=NC=C1C=CC=CN1COCN1C=CC=CC1=CN=O 1857621795 WZAFHMORPYBDOA-UHFFFAOYSA-N 286.291 2.905 0 1 CFAF CCC1(CC)NC(=S)N(c2cc(F)cc(F)c2)N1 1772599340 QBAUWLGTPKZDDB-UHFFFAOYSA-N 271.336 2.680 0 1 CFAF COc1cc2ccnc([C@@H](O)c3ccc(O)cc3)c2cc1O 13365903 XWZBLZPLPZOXQV-KRWDZBQOSA-N 297.310 2.736 0 1 CFAF endogenous,in-man O=C1C[C@H](c2cc(O)cc(O)c2)Oc2cc(O)ccc21 14806585 OVSYWZXDPOVKQU-CQSZACIVSA-N 272.256 2.510 0 1 CFAF biogenic,in-vitro CC(C)Oc1ccc(-c2cncc3[nH]nc(N)c23)cc1 204812305 CMGXWQAMCONAEJ-UHFFFAOYSA-N 268.320 2.994 0 1 CFAF CC(C)[C@H](CO)NCc1nc(C2CCCC2)ccc1F 204416575 BPZLTDFFCIOBHW-INIZCTEOSA-N 280.387 2.985 0 1 CFAF Cc1noc(C)c1-c1nc2cnccc2c(=NC2(C)CC2)[nH]1 1857598280 KNZQBDYPRAFECT-UHFFFAOYSA-N 295.346 2.683 0 1 CFAF O=C(O)c1nc2ccccc2nc1Nc1cccc(O)c1 1857759118 BGYMHNWAGXBGBJ-UHFFFAOYSA-N 281.271 2.777 0 1 CFAF COc1ccc2c(c1)c(CC(N)=O)cn2Cc1ccccc1 13446016 YFIDROVIWDFKFW-UHFFFAOYSA-N 294.354 2.726 0 1 CFAF O=C(c1ccc(Cl)cc1)c1ccc(C2=NCCN2)cc1 27411951 DTRQKASVYAQCNE-UHFFFAOYSA-N 284.746 2.921 0 1 CFAF O=C1CSc2cccc(Cl)c2N1C[C@H]1CCCO1 103214810 LETVWVWBSXBSDG-SECBINFHSA-N 283.780 2.958 0 1 CFAF COC(=O)C1=C(c2cccs2)C[C@H]2CC[C@H]1O2 101501293 RQDKDYRGZLTUMC-PSASIEDQSA-N 250.319 2.626 0 1 CFAF O=C(O)Cc1ccc2c(c1)OC[C@H]1CCCC[C@H]1C2=O 27556825 XVYARSQIUUEDCN-VXGBXAGGSA-N 274.316 2.695 0 1 CFAF Cc1cc(O)n2nc(Nc3cccc(Cl)c3)nc2n1 61688088 NCOGCSXQTYGDGZ-UHFFFAOYSA-N 275.699 2.535 0 1 CFAF COC[C@]1(O)[C@H](CO)[C@H]2CC[C@@]1(C)[C@@]2(C)C1CCCC1 2356468872 TXHFBRWHXQLYEB-NRKLIOEPSA-N 282.424 2.599 0 1 CFAF C=C(C(=O)N1CCOCC1)c1ccc(Cl)cc1Cl 29240498 FYOPYTIYKOEKLG-UHFFFAOYSA-N 286.158 2.865 0 1 CFAF CCN1CSC(=S)N(Cc2ccc(OC)cc2)C1 20662463 POLBPICNUOKUOO-UHFFFAOYSA-N 282.434 2.766 0 3 CFAF CCOC(=O)[C@@]1(C)CCCN(C(=O)c2ccccc2F)C1 61903165 AAJLLMKUTRVSRE-INIZCTEOSA-N 293.338 2.631 0 3 CFAF CC(C)NC(=O)N1OC[C@@H]2CSc3ccc(F)cc3[C@@H]21 62225398 ANXPKWUHAVEULP-NOZJJQNGSA-N 296.367 2.954 0 1 CFAF CCOC(=O)c1c[nH]c2ncnc(-c3ccc(OC)cc3)c12 218973594 CXSNWSQGHIFUDT-UHFFFAOYSA-N 297.314 2.810 0 1 CFAF Nc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2ccccc12 34803962 SQUBJXXBYMPOFW-UHFFFAOYSA-N 276.299 2.654 0 1 CFAF 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73022508 CSIUEQHLPFNHFP-ALCCZGGFSA-N 256.236 2.771 0 1 CFAF CCCCCC[C@@H]([C@@H](C)O)n1cnc(C(=O)NCCC)c1 40504896 YJOXAZJKIQBRBW-HIFRSBDPSA-N 295.427 2.915 0 1 CFAF COc1ccc(/C=C/[C@]2(C)C=CC(=O)O2)cc1OC 96921234 OORORUVUNFFJEM-PMGBHYCQSA-N 260.289 2.589 0 1 CFAF CCOC(=O)Cc1ccc2nc(-c3cncc(F)c3)[nH]c2c1 587177481 ZGFPMNPJDXPDDE-UHFFFAOYSA-N 299.305 2.870 0 1 CFAF N[C@@H](c1ccsc1)c1nc2cc3cn[nH]c3cc2[nH]1 587026665 MACOQQHBDFLLPQ-LBPRGKRZSA-N 269.333 2.549 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3nn(C)cc31)O2 587389917 DREHMELTMHEKRV-KRWDZBQOSA-N 297.358 2.508 0 1 CFAF COc1cc2c3c(c1)O[C@@](C)(C[C@H]1CCOC1)[C@@H](C2)C3=O 587454547 UHGNEQXSWYNJDC-PGQWDYDZSA-N 288.343 2.628 0 1 CFAF CN1CCC(c2c[nH]c3ccc(NC(=O)C4CC4)nc23)CC1 13523738 LVNGFTRMMWFHRF-UHFFFAOYSA-N 298.390 2.721 0 1 CFAF CN1C[C@H]2C[C@H](OC(=O)c3cc(F)cc(F)c3)C[C@H]1C2 169305297 KNPHZKMIPVOZPG-FZQKWOKYSA-N 281.302 2.604 0 1 CFAF CC(C)[C@H]1CC[C@H](C(=O)O)[C@H]2CCC(C(=O)O)=C[C@@H]21 1857586108 ZOKQSCUWIKMMTB-FVCCEPFGSA-N 266.337 2.790 0 1 CFAF C[C@H](C(=O)NCc1ccccc1)C(=O)c1ccccc1 387729 GGIGDISRZFQVLL-ZDUSSCGKSA-N 267.328 2.822 0 3 CFAF CCCCCCN(C)c1ccc2[nH]c(=O)c(C)nc2n1 2499592 JXXXJWHTTPCFJU-UHFFFAOYSA-N 274.368 2.643 0 1 CFAF CCCc1nc(C)c2c(C)cnc(Nc3cc[nH]n3)n12 29412672 HFVHAPZIENXJNF-UHFFFAOYSA-N 270.340 2.765 0 1 CFAF COc1cc([C@H]2C=CC(=O)N=N2)ccc1OC(F)F 102914242 DAIQLWJZMUNIIC-MRVPVSSYSA-N 268.219 2.886 0 1 CFAF O=C(O)/C(O)=C/c1cc(CCc2ccc(F)cc2)ccn1 28649785 OYVRXWQDXLJILO-GDNBJRDFSA-N 287.290 2.989 0 1 CFAF O=c1cc(-c2ccccc2)nc2cc(-c3ccco3)[nH]n12 104127227 UZMJKUTVUYXUED-UHFFFAOYSA-N 277.283 2.950 0 3 CFAF CC1=CCC[C@H](C)[C@H](C)OC(=O)CC[C@@](C)(O)C=C[C@@H]1O 2356604343 YFBAYNVMPAOPKZ-QEWYBTABSA-N 296.407 2.743 0 1 CFAF C[C@H]1CC[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@@H]13 26675511 HFSORQLYAOTILI-RYLSYTLKSA-N 285.387 2.697 0 1 CFAF COC(=O)c1nc(-c2csc([C@@H](N)C(C)C)n2)oc1C 28563878 HABZUCAEXMMRHN-VIFPVBQESA-N 295.364 2.549 0 1 CFAF NC[C@@H]1CCOC(c2ccccc2)(c2ccccc2)O1 34148680 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2.763 0 1 CFAF COc1cc2c3c(c1)O[C@]1(CC[C@H]1OC(C)C)[C@@H](C2)C3=O 587440924 DINOTLDITXUPCJ-DXCKQFNASA-N 288.343 2.769 0 1 CFAF N[C@H](N=O)c1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1 587967286 MVERRDDNQQYTSV-AUDJIGTPSA-N 268.320 2.966 0 1 CFAF Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(F)cc1 225937478 ONKWECDQZPASOC-UHFFFAOYSA-N 297.289 2.986 0 1 CFAF CCc1ccccc1-n1c(O)nnc1-c1ccc(O)cc1O 1772582757 HCGCRPQNPDEWRH-UHFFFAOYSA-N 297.314 2.614 0 1 CFAF O=C(O)CCCCc1c(C(=O)O)[nH]c2ccccc12 13821249 IUHSEQGTAYTDRJ-UHFFFAOYSA-N 261.277 2.664 0 1 CFAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccsc1 169371932 SLCCHPKEJRCPRS-JCQAAVPFSA-N 289.400 2.787 0 1 CFAF CCCCN1N=C2c3ccccc3CC[C@H]2CC1=O 103301581 YJJZWSQQAQBKDF-ZDUSSCGKSA-N 256.349 2.986 0 1 CFAF CC1(C)Oc2ccc3ccc(=O)oc3c2C(C=N)=C1O 101655165 SINRKEHFCUPFQB-UHFFFAOYSA-N 271.272 2.883 0 1 CFAF Cc1cccc(C)c1NC(=O)[C@@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)O 101100553 GGXJJEQPCDDEBZ-SYQHCUMBSA-N 285.343 2.765 0 1 CFAF 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CC(=O)c1ccc(O[C@@H](Cc2ccccc2)C(=O)O)cc1 13671693 WDFFIFRBPUFLPS-INIZCTEOSA-N 284.311 2.964 0 1 CFAF CC1=C[C@@H](C)[C@@]2(CO)CO[C@@H](c3cccnc3)[C@@H]1[C@@H]2C 519364 ZIVNUWICSJWDPM-NOYHWAJDSA-N 273.376 2.980 0 1 CFAF CN1C(=O)C(C)(C)c2cc3[nH]c(-c4ccncc4)nc3cc21 4770324 JWPIRNZNWQJMLA-UHFFFAOYSA-N 292.342 2.879 0 1 CFAF CC(C)Cn1cnc2cc3c(cc21)[C@H]1CNC[C@H]3C1 101030723 KTCKWEYGXKJYMD-VXGBXAGGSA-N 255.365 2.866 0 1 CFAF CC1=C[C@H]2Cc3nc(O)ccc3[C@@](N)(C1)/C2=C/C(F)(F)F 101260872 OPWXEMFYURUFIN-MMUMUOIOSA-N 296.292 2.952 0 1 CFAF [O-][N+]1=CC(c2cc3ccccc3o2)=[N+]([O-])[C@@H]2CCCC[C@@H]21 101183422 PEQPGPBZDAYBSK-QWHCGFSZSA-N 284.315 2.638 0 1 CFAF CCc1c(C)nc2nc(NCc3cccc(C)c3)nn2c1O 21785412 BKBJJUFNRZJXBK-UHFFFAOYSA-N 297.362 2.621 0 1 CFAF OCC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1 22006418 NFEQUCGNNCYRCD-CYBMUJFWSA-N 274.191 2.997 0 1 CFAF C[C@H]1CC(=O)C[C@@]23CCN(C)[C@H](Cc4ccc(O)cc42)[C@H]13 100802244 QTMXUFYDRJEECW-MJQACMKBSA-N 285.387 2.505 0 1 CFAF 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282.299 2.881 0 1 CFAF CC(=O)c1nc(C)cn1-c1cc(C)c2[nH]c(=O)ccc2c1 29339814 BAWZNTLHYZHQPD-UHFFFAOYSA-N 281.315 2.533 0 1 CFAF Cc1occc1-c1nnc2n1N[C@H](c1ccco1)S2 28712913 LTPJTVKQXHJECU-NSHDSACASA-N 274.305 2.788 0 1 CFAF CC(=O)O[C@@H]1CC(C)=CCCC(C(=O)O)=C[C@H]2C[C@@H]21 2356476478 JVAVVXRDSNKYPD-MELADBBJSA-N 264.321 2.695 0 1 CFAF CC1=CC[C@H](O)[C@H](C)C[C@@H]2OC(=O)[C@@H](C)[C@@H]2CC1 2356656589 LAOQYXNUSDEVJK-QMVSFRDZSA-N 252.354 2.681 0 1 CFAF CC1=C[C](N)N(CC(=O)c2ccc(Cl)cc2)C=C1 2356874810 QKVFGHKOZFKKDT-UHFFFAOYSA-N 261.732 2.746 0 1 CFAF C=Cc1ccc([C@H]2C[C@H]3CC[C@H](N3)[C@@H]2C(=O)OC)cc1 33967436 KHYFCJWXLVZFLY-LVQVYYBASA-N 271.360 2.727 0 1 CFAF CCCCN1CC(C(=O)OC)=Cc2cc([N+](=O)[O-])ccc21 210501857 XZVXYIFJNMLWQK-UHFFFAOYSA-N 290.319 2.771 0 1 CFAF Fc1cccc(-c2c[nH]c3ncnc(N4CCOCC4)c23)c1 210729859 AXVWXYOCYXZGCZ-UHFFFAOYSA-N 298.321 2.601 0 1 CFAF Cc1[nH]n(-c2nccs2)c(=O)c1-c1ccccc1 73240079 KDOKNJWGKBNUEW-UHFFFAOYSA-N 257.318 2.598 0 1 CFAF CC[C@]1(C)CC(=O)N(Nc2cccc(Cl)c2)C1=O 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CC(C)(C)C/C=C(\NC(=O)[C@@H]1CC1(C)C)C(=O)O 26026221 KAECJCXPSKTRGQ-LKJZUNMESA-N 253.342 2.553 0 1 CFAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](O)(C(C)C)C(=O)N2 219548645 SHVXKBUJOYKZGR-INIZCTEOSA-N 286.331 2.754 0 1 CFAF CCCCN1CCN2CCc3ccc(F)cc3[C@@H]2C1 45336547 LAMZGXFMXSMWDN-INIZCTEOSA-N 262.372 2.841 0 1 CFAF CCCc1nc(C)c2cnc3ccc(OC)nc3n12 49048770 DUQXILJSJYTFKY-UHFFFAOYSA-N 256.309 2.547 0 1 CFAF COc1cc(O)c2c(=O)cc(-c3cccc(O)c3)oc2c1 238760632 BQASOSNOLITMSO-UHFFFAOYSA-N 284.267 2.880 0 1 CFAF COc1cc(CN=O)cc(Br)c1OC 231456615 GQBFGFPKXGFIIF-UHFFFAOYSA-N 260.087 2.733 0 1 CFAF N[C@H]1C[C@@H]1c1ccccc1NC(=O)c1ccccc1 299853128 GCUCZFAQCSDCOP-KGLIPLIRSA-N 252.317 2.754 0 1 CFAF COc1ccc(-c2nnc3nc(O)c4ccccc4n23)cc1 653702310 VSVBBXOVUFNDMY-UHFFFAOYSA-N 292.298 2.659 0 1 CFAF NC[C@@H]1C[C@@H]1c1c(OCCF)ccc(Cl)c1F 653707684 DSHRLEYUYDHKAE-YUMQZZPRSA-N 261.699 2.890 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1cncn1C(C)C)[C@@H](C2)C3=O 587432586 WYEAYPWLTHPIJG-YVEFUNNKSA-N 298.342 2.961 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CCC(C)(C)O1)O2 587410982 HZEXBWJXHBMVOR-ZIAGYGMSSA-N 275.348 2.869 0 1 CFAF O=C(c1ccon1)n1nc2cc1Oc1ccc(F)cc1-2 587874976 KXXHEGBJKWRSFX-UHFFFAOYSA-N 271.207 2.471 0 1 CFAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(Cl)ncc2[nH]1 587963333 MZUBLALLEMHMAH-HTQZYQBOSA-N 263.728 2.769 0 1 CFAF Cc1cc(C)cc(OCc2nc3cc(N)c(N)cc3[nH]2)c1 587563918 CDGXDRVIZGTYQX-UHFFFAOYSA-N 282.347 2.923 0 1 CFAF Cc1ccnc2c1CCN[C@@H]2c1ccc(N2CCCC2)nc1 963088849 PCOHBEXFJBNKSR-QGZVFWFLSA-N 294.402 2.620 0 1 CFAF COc1cccc(S(=O)(=O)/C=C/c2ncccc2F)c1 1857601628 XOHIHJJWRWTZDA-VQHVLOKHSA-N 293.319 2.674 0 1 CFAF CC[C@@H](C)SC(=S)NCCCC[S@](C)=O 1857653395 YTMCRIOERFBKDH-PSLIRLAXSA-N 267.485 2.551 0 1 CFAF CCCNCCCCCNCCCCCNCCC 13605754 ZBGOCSRUVMIYJN-UHFFFAOYSA-N 271.493 2.916 0 1 CFAF Nc1c(C(=O)c2ccccc2)cnn1-c1cccc(F)c1 13683000 GGGHLTUJORAMEK-UHFFFAOYSA-N 281.290 2.825 0 1 CFAF CCCNC(=O)Nc1ncc(-c2ccc(OC)cc2)n1C 15786051 YKPNOXDPVVHMKU-UHFFFAOYSA-N 288.351 2.627 0 1 CFAF CCCCN1C(S)=NC[C@@H]1Cc1ccc(O)cc1 15952353 PZCCKLPJBCEYPJ-LBPRGKRZSA-N 264.394 2.705 0 3 CFAF CC[C@H](C)CNC(=O)c1cn([C@H](C)c2ccccc2)nn1 203475686 QDCUPKYRXRJDST-QWHCGFSZSA-N 286.379 2.663 0 3 CFAF Nc1cccc(F)c1Oc1ccccc1CC(=O)O 26389568 RKDUDBOAJXLVJM-UHFFFAOYSA-N 261.252 2.827 0 1 CFAF c1cncc(CNc2ncncc2-c2cccnc2)c1 4258415 DOYDGBXCIIEGAK-UHFFFAOYSA-N 263.304 2.546 0 1 CFAF CNC(=O)N(C)[C@H]1c2ccccc2Oc2ncccc21 28006507 XTIPAMBJDGPXID-ZDUSSCGKSA-N 269.304 2.548 0 1 CFAF Cc1cc2n[nH]c(=O)n2c2ccc(-c3cccc(O)c3)cc12 58651001 UWWPFTOELGGCIL-UHFFFAOYSA-N 291.310 2.857 0 1 CFAF in-vitro CCCNc1ncnc2c1ncn2Cc1ccccc1F 25964604 XZRCEMJFEXZVTA-UHFFFAOYSA-N 285.326 2.836 0 1 CFAF CO[C@]12C[C@]3(C)CCC[C@](C)(O)[C@@H]3CC1=C(C)C(=O)O2 2356694723 DWKVFTSXSNTDJB-OEAJRASXSA-N 280.364 2.554 0 1 CFAF COC(=O)C1=CC[C@](C)([C@@](C)(O)CC=CC(C)(C)O)CC1 2356769898 QCLBMEWHUVHURX-IRXDYDNUSA-N 296.407 2.744 0 1 CFAF Cn1c(-c2ccncc2)nc2cc3c(cc21)NC(=O)C3(C)C 29306746 KPWQKVMRTHINIS-UHFFFAOYSA-N 292.342 2.865 0 1 CFAF CCOC(=O)c1cc2ccc3occc3c2oc1=O 38920166 QOPXGQGCYVHXKY-UHFFFAOYSA-N 258.229 2.716 0 1 CFAF COc1ccc(-c2ccc(O)nn2)c2cc(C(C)C)nn12 71332076 YZAZZPQKKOHZMF-UHFFFAOYSA-N 284.319 2.629 0 1 CFAF COC(=O)CNc1nc(-c2ccccc2)nc2ccccc12 72176539 WDDLBPSCPSUJJF-UHFFFAOYSA-N 293.326 2.882 0 1 CFAF Cc1ccc(-c2nc3ccnc(N4CCOCC4)c3[nH]2)cc1 74386332 NJQPNGHMNSRSSN-UHFFFAOYSA-N 294.358 2.770 0 1 CFAF CC(=O)N[C@H](CC(=O)c1ccco1)c1ccccc1 72113398 YDHDJBRZQPSOFX-CYBMUJFWSA-N 257.289 2.730 0 1 CFAF [O-][n+]1nc2c(Cl)cnn2c2cc(-c3ccccc3)ccc21 43011997 UCMPXFOHGMAFBS-UHFFFAOYSA-N 296.717 2.836 0 1 CFAF N[C@H](Cc1ccccc1)[P@@](=O)(O)Oc1ccccc1 49070917 NIIZBBOAIXODAC-AWEZNQCLSA-N 277.260 2.778 0 1 CFAF COP(=O)(CNC1(C(=O)O)CCCCCCC1)OC 45498203 FLYLVCFFCBHTRW-UHFFFAOYSA-N 293.300 2.587 0 1 CFAF CC[C@@H]1CCC2=C[C@@H]3C(C(F)(F)F)=CC(=O)N[C@H]3C=C2N1 195032250 CBBKASYECJYSCB-BREBYQMCSA-N 298.308 2.576 0 1 CFAF C[C@H]1CC[C@H]([C@@H](C)C(=O)O)[C@H]2C=C(CO)CC[C@@H]12 96086156 JTUOWRWJSXCKMC-DKUYFVBVSA-N 252.354 2.698 0 1 CFAF in-vitro COc1ccc(O[C@H](CC(C)C)[C@@H]2CCNC2)c(C)n1 96929396 SNNRWIBSGBMYRF-UKRRQHHQSA-N 278.396 2.802 0 1 CFAF Cc1ccc(-c2cncc(N3C[C@@H]4C[C@H](C3)N4)c2)cc1 473145010 BBTJGDPUGHSTRI-IYBDPMFKSA-N 265.360 2.608 0 1 CFAF COc1ccc2c(=O)c(Cc3ccncc3)coc2c1 653709159 TZFNSNYHPAPRBT-UHFFFAOYSA-N 267.284 2.787 0 1 CFAF COC(=O)c1ccnc2[nH]c([C@@H]3CC=CC[C@H]3C)nc12 587970974 PTMIYZUQQOZJDP-NXEZZACHSA-N 271.320 2.814 0 1 CFAF N[C@@H](c1nc2c(Cl)cnc(Cl)c2[nH]1)C1CC1 587256162 ZGPOKYXBDRJHRR-ZCFIWIBFSA-N 257.124 2.675 0 1 CFAF CCCc1c(O)ccc2c1O[C@@](C1CC1)([C@@H](C)O)CC2=O 587491850 WILWCAXIFKQXCC-BMLIUANNSA-N 290.359 2.840 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)C[C@@H](C)[C@H]1C 587404585 FZMTYWAAPILGOI-XIZWVBILSA-N 273.332 2.526 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)CC1(CSCCSC1)O2 587413658 IIAYNDNWRMJKTQ-UHFFFAOYSA-N 295.429 2.761 0 1 CFAF COc1ccc(C=O)cc1-c1nc2cc(C)cnc2[nH]1 587788168 YJEDPALDMRUXDV-UHFFFAOYSA-N 267.288 2.754 0 1 CFAF Brc1cc2nc(CC3CC3)[nH]c2cn1 587959919 SIMSJDAJNLSLMR-UHFFFAOYSA-N 252.115 2.673 0 1 CFAF Cc1ccn(-c2c(C)[nH]c3c(C(=O)O)cccc23)n1 587639410 VDVFNKORDSUNAB-UHFFFAOYSA-N 255.277 2.669 0 1 CFAF COc1cncc2nc(C[C@H]3CCc4occc4C3=O)[nH]c12 586907066 JPTHFRJJZTWQJI-SECBINFHSA-N 297.314 2.547 0 1 CFAF CC(C)c1cc2c(s1)N/C(=C\SCC(=O)O)NC2=O 958059165 WTCQPASBWWIWDC-WTKPLQERSA-N 298.389 2.644 0 1 CFAF COc1ccc2c(c1)O[C@H](c1ccc(O)c(C)c1)[C@@H](O)C2 6070119 BVZKYKMYKRBBCV-DOTOQJQBSA-N 286.327 2.746 0 1 CFAF O=C(O)Cn1ccc(-c2ccc(C(F)(F)F)cc2)n1 103176959 QMGIIWCDIDIJNM-UHFFFAOYSA-N 270.210 2.654 0 1 CFAF CN1[C@@H]2CC[C@@H]1CC(OC(=O)N1CCc3ccccc31)C2 100808226 HRDDTYIXDSCKMA-ZIAGYGMSSA-N 286.375 2.811 0 1 CFAF CC[C@@H]1CCC2=C[C@H]3C(C(F)(F)F)=CC(=O)N[C@@H]3C=C2N1 101113929 CBBKASYECJYSCB-GBIKHYSHSA-N 298.308 2.576 0 1 CFAF CC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C[C@H]2CC[C@H]1N2C 100741835 VFHWZFOARRJNNR-KLHDSHLOSA-N 261.340 2.981 0 1 CFAF CO[C@@H]1[C@@H]2CCN(CC3CC3)[C@@H]1Cc1ccc(O)cc12 101227774 IUFBNRYLSSEFPR-DJIMGWMZSA-N 273.376 2.531 0 1 CFAF CC1(C)CC2=C(C(=O)O)[C@H]3CC[C@@](C)(OC3=O)[C@H]2C1 2356852039 QMOVPXWMDLSURK-UYNUJQBQSA-N 264.321 2.529 0 1 CFAF CO[C@H]1C(=O)N(SC)[C@H]1c1cccc(Cl)c1 34050603 CDWOMTQNISFFGI-VHSXEESVSA-N 257.742 2.516 0 1 CFAF CC(=O)c1cccc(-n2cnc3c(Cl)nc(C)nc32)c1 45283946 QPYXBFGUAMOXEN-UHFFFAOYSA-N 286.722 2.980 0 1 CFAF Cc1nccc(N2CCN(c3cnccc3C3CC3)C2=O)n1 145125456 LJGNLTWMVHHHKI-UHFFFAOYSA-N 295.346 2.504 0 1 CFAF O=C(Cc1ccc(O)cc1)[C@@H](O)Cc1c[nH]c2ccccc12 238787780 IEROEXCOOYBHPG-SFHVURJKSA-N 295.338 2.589 0 1 CFAF Fc1cc2[nH]c(CC3CC3)nc2cc1-n1cccn1 587958676 FSIHKBZWBHSMBK-UHFFFAOYSA-N 256.284 2.840 0 1 CFAF N=c1[nH]ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c12 587091144 BPFBMQBSHDUWFR-UHFFFAOYSA-N 297.240 2.520 0 1 CFAF O[C@H]1C[C@@H](c2nc3cccnc3[nH]2)c2ccccc21 586904256 SDOFXHMABMDION-YPMHNXCESA-N 251.289 2.527 0 1 CFAF COc1cc2c3c(c1)O[C@](C)(c1ccccn1)[C@@H](C2)C3=O 587436281 PJPDIRLBKPQIDI-SJCJKPOMSA-N 281.311 2.753 0 1 CFAF CCOc1ccc(O)n1-c1cccc(Br)c1N 587936143 FXQVVQGFJDMQOU-UHFFFAOYSA-N 297.152 2.926 0 1 CFAF c1ccc2c3c([nH]c2c1)[C@@H]1C[C@@H](NC2CC2)CCN1CC3 169321560 UCXNXULNIBBYOA-GUYCJALGSA-N 281.403 2.982 0 1 CFAF C[C@@H]1c2c[nH]c3cccc(c23)S[C@@H]1c1nnn[nH]1 13649075 HBBWLDWCRPSAKO-KBUNVGBDSA-N 257.322 2.632 0 1 CFAF Cc1nccn1Cc1ccc2[nH]cc(CCN(C)C)c2c1 13741359 PQJCUCYJHHAAPI-UHFFFAOYSA-N 282.391 2.825 0 1 CFAF C/C1=C/CC(=O)[C@@H](C)C[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 14453723 KLZWSNKEPLKAOS-ORZDMQGJSA-N 250.338 2.890 0 1 CFAF in-man C[C@H]1CCc2nn(CC(=O)N[C@@H](C)c3ccccc3)cc2C1 6806875 BEKMNKLDIUWEDZ-KBPBESRZSA-N 297.402 2.885 0 1 CFAF Cc1cccc(Nc2ncnc3ccncc23)c1N 29133759 MVESBJXUUOGDMJ-UHFFFAOYSA-N 251.293 2.659 0 1 CFAF O=C1Cc2c([nH]c3ccc(F)cc23)-c2ncccc2N1 29055437 ADLJJDVYJGLCRQ-UHFFFAOYSA-N 267.263 2.864 0 1 CFAF C[C@@H](Oc1ccccc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 28111464 FTUIXKYOOBRYLF-GODZRQRCSA-N 289.375 2.622 0 1 CFAF Cc1c(O)cc(C=C2C=CC[C@H](C)O2)c(C=O)c1O 2356711781 YUNYOSJRYNLHEN-VIFPVBQESA-N 260.289 2.925 0 1 CFAF COc1ccc(Oc2cc(N3CCCC3)ncn2)cc1 37623899 AZJWSXIOIVJMHW-UHFFFAOYSA-N 271.320 2.878 0 1 CFAF COCCc1c(C)cc2c(c1C)C[C@@](C)(CO)[C@@H]2OC 139115489 SLJLUCPQAQEAOL-SJORKVTESA-N 278.392 2.735 0 1 CFAF O=C(O)c1[nH]nc2c1C[C@@H](c1c(F)cccc1F)CC2 42922360 INDRAENKCMLXOC-ZETCQYMHSA-N 278.258 2.659 0 1 CFAF COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(F)c(C)c1)N2 253638605 MMLRFWSQUZRITP-DDHJSBNISA-N 277.339 2.531 0 1 CFAF C[C@H](NCCC(=O)c1cccc(O)c1)[C@H](O)c1ccccc1 473137243 XGFPLJKNKLYZHD-UGSOOPFHSA-N 299.370 2.677 0 1 CFAF Oc1nc(O)c2ccc(/C=C/c3ccc(F)cc3)nc2n1 587369203 FGKKNCHNGDPSMR-ZZXKWVIFSA-N 283.262 2.746 0 1 CFAF N=c1cc2nc([C@@H]3Cc4ccccc4S3)[nH]c2c[nH]1 587042453 JZYLTOWJVAFRCO-LBPRGKRZSA-N 268.345 2.760 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@]3(C)O[C@H]31)O2 587406559 CJPIWUUKSHUORE-PMPSAXMXSA-N 273.332 2.623 0 1 CFAF COc1cc2[nH]c(/C=C/C=C\C(=O)O)nc2cc1C 587969763 WHPWPKQJQREVSM-UZNMPDEFSA-N 258.277 2.534 0 1 CFAF Fc1cnc2nc(-c3n[nH]c4c(F)cccc34)[nH]c2c1 587176154 FRZUFFKNUUMMLG-UHFFFAOYSA-N 271.230 2.779 0 1 CFAF CCCOc1cc2nc(CCO)[nH]c2cc1Br 586894557 LQBMIMSMFOOTRC-UHFFFAOYSA-N 299.168 2.649 0 1 CFAF COc1cc2c3c(c1)O[C@@H](CC1CCOCC1)[C@@H](C2)C3=O 587454005 QSOHTHDCLZCBDK-KGLIPLIRSA-N 288.343 2.628 0 1 CFAF COC(=O)Cc1ccccc1-c1nc2ccc(OC)cc2[nH]1 587782940 AUVSQKBEEDFIEW-UHFFFAOYSA-N 296.326 2.954 0 1 CFAF O=c1ccc2ccc(OCCCCn3ccnc3)cc2o1 59299485 WRTOGEDWPKCJIP-UHFFFAOYSA-N 284.315 2.849 0 1 CFAF CC(=O)[C@H]1C[C@@]2(c3ccccc3)C(=O)c3ccccc3N2O1 5712880 YZWBVQPLHHHLEF-SJLPKXTDSA-N 293.322 2.878 0 1 CFAF CCc1ncc(S(C)(=O)=O)c2c1[nH]c1ccccc12 15205315 IXTQWSZHVPVLAL-UHFFFAOYSA-N 274.345 2.682 0 1 CFAF N=C(N)c1ccc(NCc2ncc(-c3ccccc3)[nH]2)cc1 1857542186 TVNXXWFOJIOGEC-UHFFFAOYSA-N 291.358 2.973 0 1 CFAF Cc1ccc(C(=O)c2cc(C)cc(CC(=O)O)c2N)cc1 28770141 OWKJWCLQIUAOSS-UHFFFAOYSA-N 283.327 2.744 0 1 CFAF Oc1c2nc3ccccc3c-2ncn1Cc1ccccn1 102570540 FTKVVUFPZAEASE-UHFFFAOYSA-N 276.299 2.685 0 1 CFAF COc1cc(/C=C\c2cc[n+]([O-])cc2)cc(OC)c1OC 26996140 GXXPMQNWPBNUSL-PLNGDYQASA-N 287.315 2.516 0 1 CFAF CCCN1C(=O)CC[C@@]1(O)c1cccc(C(F)(F)F)c1 26838092 SQCXPRWFMATVNS-CYBMUJFWSA-N 287.281 2.883 0 1 CFAF Nc1ncnc2c1ncn2-c1cccc2ccccc12 26178924 GBMIEIYILKVPAU-UHFFFAOYSA-N 261.288 2.551 0 1 CFAF C[C@@H]1CC(c2ccc(Nc3ccncc3)cc2)=NNC1=O 34160873 QFJMEXMVLQEPQE-LLVKDONJSA-N 280.331 2.685 0 1 CFAF CCCC[C@H](N)[P@@](=O)(O)Oc1ccc(OC)cc1 49116005 QTSCDNZOOYBORO-GFCCVEGCSA-N 273.269 2.734 0 1 CFAF CC(C)c1[nH]nc2c1[C@@H](c1ccc(F)cc1)NC2=O 199730255 LYNHEOOUKJYABU-GFCCVEGCSA-N 259.284 2.505 0 3 CFAF CC(=O)N(C)CCc1ccc2c(c1)C=CC(C)(C)O2 238758631 LXVRFYVHYMCDDM-UHFFFAOYSA-N 259.349 2.892 0 1 CFAF c1cncc(O[C@@H]2CC[C@@H]3[C@H]2OCCN3C2CCCC2)c1 299843933 ZYJJHYIVOPHMGE-BRWVUGGUSA-N 288.391 2.635 0 1 CFAF c1ccc(-c2cn(-c3c[nH]c4ncccc34)nn2)cc1 653708475 NCHCROKHALLQLR-UHFFFAOYSA-N 261.288 2.811 0 1 CFAF Cc1nccc2[nH]c(C[C@@H]3CCc4occc4C3=O)nc12 586907265 LDZLJYDIAJRCFF-JTQLQIEISA-N 281.315 2.847 0 1 CFAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cnccc2[nH]1 587069814 LFRQTVPZKXICCS-NSHDSACASA-N 286.766 2.896 0 1 CFAF CCc1nc(C)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[nH]1 587438659 PQFLEARVWMVJCM-DIFFPNOSSA-N 298.342 2.778 0 1 CFAF Cc1ccc(C)c2[nH]c(Cc3cccnc3N)nc12 587253855 MPRXDPYSBYMSMZ-UHFFFAOYSA-N 252.321 2.748 0 1 CFAF COc1cc2c3c(c1)O[C@H]([C@@H]1CCSC1)[C@@H](C2)C3=O 587449962 CRRHZMWOHQHMRH-OTDPEBBPSA-N 276.357 2.564 0 1 CFAF Cc1c([C@@H](C)CN(C)C)[nH]c2c(C(=O)O)cccc12 587638696 SZFPPSSKVVCGQK-VIFPVBQESA-N 260.337 2.840 0 1 CFAF O=S1(=O)N[C@H](CC2=CCCCC2)[C@H]2CCCC[C@@H]2O1 12466340 ZOYSOWHUNKOULN-MCIONIFRSA-N 285.409 2.669 0 3 CFAF COc1ccc(C2=Nc3ncnn3[C@H](c3ccco3)C2)cc1 13123340 YLDHFGHKBFGQCE-AWEZNQCLSA-N 294.314 2.994 0 1 CFAF COc1ccc(CCc2cc(O)cc(O)c2)cc1O 13340226 XYWLGCOVGGWHHO-UHFFFAOYSA-N 260.289 2.597 0 1 CFAF CC(C)(C)[C@@H]1CCc2nnc(-c3ccccc3)[n+]([O-])c2C1 169318560 HQPGCIKTJQJMRS-CYBMUJFWSA-N 283.375 2.928 0 1 CFAF c1ccc(COC[C@@H]2CC[C@H](c3c[nH]cn3)O2)cc1 13524102 RETVAMKTDRMQFH-DZGCQCFKSA-N 258.321 2.847 0 1 CFAF CCN(CC)[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1=O 342309 PZFDKCVQMRMOHT-CQSZACIVSA-N 288.391 2.586 0 1 CFAF CC1(C)O[C@@]2(C3CCCC3)CC[C@H]1[C@@](N)(CCCO)C2 2356366043 YLDRAQSIUREUFZ-OIISXLGYSA-N 281.440 2.994 0 1 CFAF CCO[C@]1(C)CC[C@H](C(C)C)[C@H](O)[C@@H]2[C@@H]1CC[C@@]2(C)O 2356417334 YGOHZWXICDKWGL-UTQGOSHXSA-N 284.440 2.986 0 1 CFAF CN1CCC[C@H]1COc1cncc(-c2cccnc2)c1 27729649 DSWZTNPZXCARNH-HNNXBMFYSA-N 269.348 2.617 0 1 CFAF CC(C)(C)CSc1cccc(OS(C)(=O)=O)n1 103185230 CJGBUNIKBUWHRL-UHFFFAOYSA-N 275.395 2.558 0 1 CFAF CN(C)c1ncnc2c1ncn2[C@H]1CCCc2ccccc21 25974533 JBKQSQZNQALUHH-AWEZNQCLSA-N 293.374 2.818 0 1 CFAF C[C@@H](C(=O)O)c1cccc(C(=O)c2nccs2)c1 28711086 MRKQWXWPXXOEQI-MRVPVSSYSA-N 261.302 2.562 0 1 CFAF Nc1nc(-c2ccccc2)c(-c2ccccc2)c(=O)[nH]1 25491714 HVDNXYLJMBRMTI-UHFFFAOYSA-N 263.300 2.686 0 1 CFAF COC(=O)[C@H](c1ccc(Cl)cc1)[C@@H]1CCCCN1 29481369 DJLLHNLJLSEKHJ-QWHCGFSZSA-N 267.756 2.739 0 1 CFAF in-vitro Cc1ccccc1[C@@H](c1c(C)noc1C)N1CCN(C)CC1 28251003 VJXUVINVZBVODX-SFHVURJKSA-N 299.418 2.937 0 1 CFAF CCCSc1nc(=O)cc(O)n1-c1ccccc1C 1911584126 WDNOESDGUVELRQ-UHFFFAOYSA-N 276.361 2.749 0 1 CFAF CC(C)n1ncn(-c2nc(-c3ccsc3)cs2)c1=O 73403440 FQYOSVOVELXNFR-UHFFFAOYSA-N 292.389 2.800 0 1 CFAF COc1ccc(-c2cc3ccccc3c(=O)[nH]2)c(CO)c1 40420535 QBQCDCDFOAJLDG-UHFFFAOYSA-N 281.311 2.696 0 1 CFAF CCCCCC[C@@H]([C@H](C)O)n1cnc(C(=O)NCC)c1 40505287 RGBQGAVILOXJTG-JSGCOSHPSA-N 281.400 2.525 0 1 CFAF CC(C)(O)[C@H]1CC[C@@]2(C)CO[C@]3(C)C=CO[C@]23C1 238734384 ZOEXGOVAOFIZLY-SPWCGHHHSA-N 252.354 2.635 0 1 CFAF C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@]1(C)CCC(=O)[C@H](C)[C@H]21 238759284 BXRGGUXPWTWACZ-QNNPUYCDSA-N 250.338 2.579 0 1 CFAF COc1ccc([C@@H](C)N2CCCC2)cc1OC(=O)N(C)C 299830522 NVHWJHNKHLLQFX-GFCCVEGCSA-N 292.379 2.912 0 1 CFAF Cc1cccc(-c2cnc(N)c(C(=O)NC3=CCCC3)n2)c1 473101641 KGEYJZVWSDOVPU-UHFFFAOYSA-N 294.358 2.832 0 1 CFAF NC[C@H]1C[C@H]1c1c(OCCF)ccc(Cl)c1F 653707681 DSHRLEYUYDHKAE-HTQZYQBOSA-N 261.699 2.890 0 1 CFAF Fc1cccc([C@@H]2C[C@H]2c2nc3cncnc3[nH]2)c1 587161114 JZLFPVAZASRQII-WDEREUQCSA-N 254.268 2.763 0 1 CFAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccc(F)c(F)c2[nH]1 587962512 JZZAGCHHYHEKFZ-JGVFFNPUSA-N 264.275 2.999 0 1 CFAF COc1cc2nc(-c3cc(N)c(N)cc3F)[nH]c2cc1C 587136705 JIISAAIKLDHIRY-UHFFFAOYSA-N 286.310 2.850 0 1 CFAF N[C@H](Cc1cscn1)c1nc2cc(F)cc(F)c2[nH]1 587029163 JGZNPZADYNWRHX-SECBINFHSA-N 280.303 2.540 0 1 CFAF Nc1cc2nc(CCCCc3cccc(O)c3)[nH]c2cc1N 586896208 LRBNSLKSGQKXDB-UHFFFAOYSA-N 296.374 2.998 0 1 CFAF Cc1nccc2[nH]c(/C=C\C(=O)Nc3ccccc3)nc12 587243801 IKCVEVMBNBSMCM-FPLPWBNLSA-N 278.315 2.918 0 1 CFAF COc1cccc2nc(C[C@H]3CCC(=O)[C@H]3C)[nH]c12 587963008 LDGCOUKXRKEASR-VHSXEESVSA-N 258.321 2.729 0 1 CFAF c1ncc2nc([C@@H]3SCCc4sccc43)[nH]c2n1 587036905 PGCNLLQWNYUKNI-SNVBAGLBSA-N 274.374 2.793 0 1 CFAF COc1cc(C2(c3nc4cnncc4[nH]3)CC2)ccc1C 587927186 OTKKJONRFJHGQY-UHFFFAOYSA-N 280.331 2.750 0 1 CFAF COc1ccc(NC(C)(C)c2nc3ncc[nH]c-3n2)cc1 587201925 ZEOZBXOOAZDCBG-UHFFFAOYSA-N 283.335 2.660 0 1 CFAF N[C@H](c1ccsc1)c1nc2c(Cl)ccnc2[nH]1 587025630 PCDSLZXLDYYJET-MRVPVSSYSA-N 264.741 2.721 0 1 CFAF CCN[C@@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1 169321550 NPDQNVNCZCPYGF-WBMJQRKESA-N 269.392 2.839 0 1 CFAF COC[C@H](C)[C@H]1c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962618109 CXTGBIDGANQHEL-JKDFXYPNSA-N 293.407 2.904 0 1 CFAF CC(=O)C[C@@]1(CC(C)C)NCCc2ccc(O)cc21 963340041 FITPDFJXQSDKQT-MRXNPFEDSA-N 261.365 2.758 0 1 CFAF NCc1nc2cc(NC[C@@H]3CC=CCC3)ccc2[nH]1 13445542 YVZXWFDVDWLMEK-LLVKDONJSA-N 256.353 2.790 0 1 CFAF NC1=NC[C@@H](CC2=Cc3c(Cl)cccc3CC2)O1 13862078 CNJXFZOUGOTQNK-LLVKDONJSA-N 262.740 2.773 0 1 CFAF Cc1c(O)c(C=O)c(O)c2c1O[C@H](c1ccccc1)CC2=O 15217430 OPZHOLABNKMTHG-ZDUSSCGKSA-N 298.294 2.925 0 1 CFAF COC(=O)[C@@H]1[C@@H](c2ccccc2)[N@]1Cc1ccccc1 1857546632 CWIVVRPOHJFJTG-RYRKJORJSA-N 267.328 2.785 0 1 CFAF O=C(NN1CC=CCC1)c1ccccc1C(F)(F)F 27844934 JHJRHJPWZBITMD-UHFFFAOYSA-N 270.254 2.612 0 1 CFAF Cc1ccc2ccn(CCN3CCCN(C)CC3)c2c1 22939926 FWZKZEDBNXYXSL-UHFFFAOYSA-N 271.408 2.587 0 1 CFAF C[C@@H](CC(=O)C[C@]1(C)C2C[C@@H]3[C@@H](C2)C31C)C(=O)O 100778711 PJKNORSNWWYCMC-JLXJMRQESA-N 250.338 2.739 0 1 CFAF endogenous,in-man O=C(NC1CCCC1)[C@@H](c1ccccc1)N1CCCC1 57776109 JQQLKYOOLAIVDJ-MRXNPFEDSA-N 272.392 2.882 0 1 CFAF Cc1nc(C)c(COC(=O)c2ccccc2)nc1C 26249436 DORLUZXPJBACES-UHFFFAOYSA-N 256.305 2.759 0 1 CFAF Cc1ccc(C(=O)c2cc(F)cc(CC(=O)O)c2N)cc1 28770532 JINFAKSUGHCKFJ-UHFFFAOYSA-N 287.290 2.574 0 1 CFAF C=C(O[C@H]1C[C@H]2CC[C@@H]([C@H]1C(=O)O)N2C)c1ccccc1 2356533580 KZFBHCCLJSAHBQ-FXUDXRNXSA-N 287.359 2.610 0 1 CFAF CC[C@]12C=CCN3CC[C@]4(c5ccccc5N[C@H]4C(=O)C1)[C@@H]32 2356618483 VWEIHRBYFKZAQD-CADBVGFASA-N 294.398 2.732 0 1 CFAF CC[C@@]12CCCN3CC[C@@H]4c5ccccc5N([C@@H]4[C@@H]31)[C@H](O)C2 2356648654 LDHUNICCSKTUCE-FTWQHDNSSA-N 298.430 2.945 0 1 CFAF CC(C)N1CC[C@@H]2COC(=O)N2c2ccccc2C1 2356773221 UAMSHBMLEGPHGI-CYBMUJFWSA-N 260.337 2.626 0 1 CFAF CSc1ccccc1C(=O)N(C1CCC1)[C@H]1CCNC1 42920008 VLCYASXBDSCXJI-ZDUSSCGKSA-N 290.432 2.765 0 1 CFAF O=C(c1ccccc1)c1cn(-c2cc(Cl)ccc2O)nn1 40877467 FGGVAXWLCTXVML-UHFFFAOYSA-N 299.717 2.857 0 1 CFAF Cc1[nH]c(-c2nccc3[nH]c(N)nc23)cc1Br 45298349 GIGCIGYEFAQHHD-UHFFFAOYSA-N 292.140 2.606 0 1 CFAF CC[C@H](C[C@H]1COC(N)=N1)c1ccc(Cl)cc1 149272931 ZMLGXVRBGWPDON-SKDRFNHKSA-N 252.745 2.937 0 1 CFAF Cc1cccc2c(-c3ccc4c(O)nc(O)nc4n3)c[nH]c12 587555502 OXSIXDYSRMUYLA-UHFFFAOYSA-N 292.298 2.893 0 1 CFAF Oc1nc(O)c2ccc(-c3ccc4c(c3)CCC4)nc2n1 587560878 BCWBHVKFPGMQTC-UHFFFAOYSA-N 279.299 2.592 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ccc(C)n1C)[C@@H](C2)C3=O 587429271 ARACLRYHODMTHI-YVEFUNNKSA-N 283.327 2.831 0 1 CFAF c1cc(-c2nc3cnncc3[nH]2)ccc1OC1CCC1 587951488 MNNSHONBFGOEMM-UHFFFAOYSA-N 266.304 2.951 0 1 CFAF N=c1[nH]ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 587151988 JIMKCRWKXCQAIG-RKDXNWHRSA-N 286.285 2.920 0 1 CFAF CCc1ccc2nc([C@H](O)C3CCOCC3)[nH]c2c1 586913783 ONUGUZOATIPRPZ-CQSZACIVSA-N 260.337 2.585 0 1 CFAF O=C1C[C@](C(=O)O)(C2CC2)Oc2c1ccc1c2CCCC1 587529176 KJXGUKGEEVXCSI-QGZVFWFLSA-N 286.327 2.764 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](C)Cc1ccnn1C)O2 587391405 MJNQPEDODHTUEE-MEDUHNTESA-N 299.374 2.523 0 1 CFAF FC(F)(F)Oc1cccc2nc([C@@H]3CCOC3)[nH]c12 586910948 DHIIWAWSGJCVGP-SSDOTTSWSA-N 272.226 2.965 0 1 CFAF O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C/c1ccco1 224950680 VZCIFBDWNONTAH-XFFZJAGNSA-N 256.217 2.681 0 1 CFAF COc1cccc(-n2cnc3nc4ccccc4nc32)c1 12405817 CGRYDRXCFHKOLS-UHFFFAOYSA-N 276.299 2.977 0 1 CFAF CN1C(=O)[C@H]2O[C@H](c3ccccc3)[C@@H]1[C@@H]2c1ccccc1 13414896 QVGJMLNUOQHRAS-NXOAAHMSSA-N 279.339 2.751 0 1 CFAF in-man C/C1=C/C[C@H](O)[C@H](C)C[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1 14453718 LAOQYXNUSDEVJK-BWVCKOMOSA-N 252.354 2.681 0 1 CFAF in-man COC(=O)[C@H]1[C@@H](c2cccc(F)c2)C[C@@H]2CC[C@@H]1N2C 169714196 KBWLRHKLMPNABK-XGUBFFRZSA-N 277.339 2.565 0 1 CFAF C[C@H](C(=O)O)S(=O)(=O)c1ccc(-c2ccccc2)cc1 3600372 HHAXEJZXVILWHM-LLVKDONJSA-N 290.340 2.600 0 1 CFAF CN(C)C[C@H](O)C(c1ccccc1)c1ccccc1 39245500 ASBXBNZDJKXAPG-INIZCTEOSA-N 255.361 2.741 0 1 CFAF Cc1ccccc1Cn1nc2ccccc2cc1=O 1626027 ALHDHUPGBVGRKL-UHFFFAOYSA-N 250.301 2.753 0 1 CFAF CC(C)CCn1nc(N)c2nc3ccccc3nc21 1653580 GUXLIVYUPGLNRC-UHFFFAOYSA-N 255.325 2.608 0 1 CFAF CC(=O)CC[C@@H]1C(=O)C[C@@H](C(C)(C)O)CC[C@@H]1C 2356405484 UYXPDSAGXXKPIL-DRZSPHRISA-N 254.370 2.748 0 1 CFAF Cc1cc(=O)[nH]c2c1cnn2[C@H](C)c1ccccc1 6752738 QEARQDGPGVQTCA-LLVKDONJSA-N 253.305 2.642 0 1 CFAF O=[n+]1cc(-c2cc3ccccc3o2)n(O)c2c1CCCC2 103928992 ALBCLSHTJKMMJJ-UHFFFAOYSA-N 283.307 2.932 0 3 CFAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(C)c(F)c1)N2 101041044 QDZIBQWKRRRXAL-NZBPQXDJSA-N 277.339 2.531 0 1 CFAF CC(=O)O[C@H]1C[C@H]2C[C@@H](C3CCCCC3)O[C@H]2O1 103293547 VURDWAJYJLFVEF-RQJABVFESA-N 254.326 2.607 0 1 CFAF O=C(NN1CCc2ccccc2C1)Oc1ccccc1 29415135 RLCPHIFPTRYPJV-UHFFFAOYSA-N 268.316 2.748 0 1 CFAF Cc1cn(-c2cc(C)c3c(c2)CCC(=O)N3)c(C)n1 27655298 DDVFLOCXJZJZEJ-UHFFFAOYSA-N 255.321 2.682 0 1 CFAF CC(=O)OC=C(C)[C@H]1CC[C@@H](C)C1=COC(C)=O 2356543800 XWSAKQNRGFHFHM-NOZJJQNGSA-N 252.310 2.946 0 1 CFAF CC1=CCC[C@H](C)[C@H](C)OC(=O)C=C[C@](C)(O)CC[C@@H]1O 2356587344 IDGNDQYOCKRQMV-NZUILWFCSA-N 296.407 2.743 0 1 CFAF CC(=O)Oc1cccc2c1S(=O)(=O)c1ccccc1O2 26255159 GUVVHNQATMUESU-UHFFFAOYSA-N 290.296 2.550 0 1 CFAF CC1(C)CC(n2cnc3ccccc3c2=O)CC(C)(C)N1 32534855 DZQAOOQVXBZBTJ-UHFFFAOYSA-N 285.391 2.878 0 1 CFAF O=C(O)C[S@](=O)c1ccc(-c2ccccc2)cc1 13531999 XYRRMGHQYADGMG-GOSISDBHSA-N 260.314 2.546 0 1 CFAF CO[C@]12C(=O)CC[C@@]1(CO)[C@H]2/C(C)=C/CC=C(C)C 35049776 NTBXTHBAQMHZTL-FTCGWSJHSA-N 264.365 2.646 0 1 CFAF CCOc1cnn(C2CCCCC2)c(=O)c1Cl 45349611 RCNOYMMSESFDNI-UHFFFAOYSA-N 256.733 2.801 0 1 CFAF COc1cc(C=O)c(-c2ccccc2C=O)c2c1OCO2 40918659 KJFAIWUNOXPMOD-UHFFFAOYSA-N 284.267 2.716 0 1 CFAF CCC[C@@H](C)Nc1nc(N2CCSCC2)ncc1C 82201951 ONUBKFGSNHFNNE-GFCCVEGCSA-N 280.441 2.939 0 1 CFAF Cc1c(Cl)sc2ncnc(SCC(=O)O)c12 653729597 PKGGSZKGTOAVHZ-UHFFFAOYSA-N 274.754 2.830 0 1 CFAF COc1cc2c3c(c1)O[C@]1(CCC[C@@H](OC)C1)[C@@H](C2)C3=O 587444636 WQAXQGFYGPFECH-ZUCKAHLUSA-N 288.343 2.770 0 1 CFAF NC(=O)Nc1cccc(-c2nc3cc(F)c(F)cc3[nH]2)c1 587242343 QVNTYYDGLMBTHF-UHFFFAOYSA-N 288.257 2.999 0 1 CFAF CC[C@H](C)n1cc(Cl)c(-c2nc3ncncc3[nH]2)n1 587081015 ZLKXMAAEBBAHOP-ZETCQYMHSA-N 276.731 2.841 0 1 CFAF N=c1cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c[nH]1 586889286 MDOCZWHLGXZHGG-SJCJKPOMSA-N 276.343 2.742 0 1 CFAF Nc1ncc(Cl)nc1-c1nc2cc(F)cc(F)c2[nH]1 587087347 OZWDYXSIOHPWRR-UHFFFAOYSA-N 281.653 2.534 0 1 CFAF Cc1cc(C)cc(-c2ccc3c(O)nc(O)nc3n2)c1 587560329 AEIJZLSOEJMCBZ-UHFFFAOYSA-N 267.288 2.720 0 1 CFAF FC(F)(F)c1ncc2nc(C3=CCCC3)nc-2[nH]1 586882707 AGGZMCJWLGVATA-UHFFFAOYSA-N 254.215 2.891 0 1 CFAF Cc1c(-c2nc3cc(N)c(N)cc3[nH]2)oc2c1[C@@H](O)CCC2 586904894 CZLUINBUGGCLFT-LBPRGKRZSA-N 298.346 2.665 0 1 CFAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2c(Cl)ccnc2[nH]1 587963612 PCGMUYYCOHFIIC-YUMQZZPRSA-N 263.728 2.769 0 1 CFAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)NCC(=O)O)c2c1 587640550 AWITXQLJKLCPJE-VIFPVBQESA-N 288.347 2.804 0 1 CFAF N=C(N)c1ccc2nc(COc3ccc(F)cc3)[nH]c2c1 587168003 CJWFHJJSLYVMOT-UHFFFAOYSA-N 284.294 2.565 0 1 CFAF COc1ccccc1CC(=O)c1nc2nc(C)ccc2[nH]1 587929234 HKVPMCLLNIMINI-UHFFFAOYSA-N 281.315 2.700 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cc(N)ccc31)O2 587390657 PLOXTYSLGUXNLY-GOSISDBHSA-N 294.354 2.966 0 1 CFAF C[C@]1(c2nc3cccnc3[nH]2)C=C(c2ccccc2F)NO1 587155216 INKOWOQEEUYVNK-MRXNPFEDSA-N 296.305 2.888 0 1 CFAF Cc1ccc(C2=Nc3c(N)ncnc3OC2(C)C)cc1 169307735 VYSUKSJUEGJUFY-UHFFFAOYSA-N 268.320 2.659 0 1 CFAF CC(C)Sc1nc2sc3c(c2c(=O)n1N)CCCC3 958059130 IVLMKNHJEWUVIR-UHFFFAOYSA-N 295.433 2.551 0 1 CFAF Nc1ccc([C@@H]2NCCc3ccc(O)cc32)cc1Cl 963329106 LLDIAEMHGMQDRG-HNNXBMFYSA-N 274.751 2.863 0 1 CFAF Cc1cccc([C@@H]2c3nn(C)cc3CCN2C)c1C 963953570 BGDKQSZLYXVJCF-MRXNPFEDSA-N 255.365 2.614 0 1 CFAF CCCN(CCC)[C@@H]1Cc2c[nH]c3ccc(C(N)=O)c(c23)C1 5647672 YTOJFUORFUYGSV-CYBMUJFWSA-N 299.418 2.856 0 1 CFAF CO[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC 5963879 DDIJCQQECYDBJB-LSDHHAIUSA-N 290.315 2.667 0 1 CFAF c1cnc2c(=Nc3ccc4c(C5CC5)n[nH]c4c3)[nH][nH]c2c1 1857767887 WSWVJWFZNAZNCE-UHFFFAOYSA-N 290.330 2.877 0 1 CFAF Cn1ccc2c(C(=O)c3ccccc3)cccc2c1=O 1629218 NRAISZORQBTEOR-UHFFFAOYSA-N 263.296 2.770 0 1 CFAF Cc1nc2c(NC[C@@H](C)N(C)c3ccccc3)ncnc2o1 63885126 LVSRSLHFEMUJPC-LLVKDONJSA-N 297.362 2.863 0 1 CFAF NCCCOc1nn(Cc2ccccc2)c2ccccc12 28011275 KFNKPAYXEHELQT-UHFFFAOYSA-N 281.359 2.812 0 1 CFAF CCN1CCC(OC(=O)c2c(C)[nH]c(C)c2C)CC1 29325720 PNADPDFQILJMCX-UHFFFAOYSA-N 264.369 2.581 0 1 CFAF C[C@H]1CC[C@H]2Oc3c(O)ccc4c3[C@@]23CCN(C)[C@H](C4)[C@@H]13 26675514 HFSORQLYAOTILI-OCKWNABVSA-N 285.387 2.697 0 1 CFAF C[C@H]1[C@@H]2OC[C@](C)(C[C@H]2C)[C@]12O[C@H](C)[C@H](C)[C@H](O)[C@H]2C 2356523198 JVXCLXYHRVUZGU-LSXUETHQSA-N 282.424 2.858 0 1 CFAF CC1(C)CC[C@](C)(O)[C@H]2CCC(C(=O)O)=C[C@H]2C1 2356721441 FCCZNLPVQDZELH-HUBLWGQQSA-N 252.354 2.985 0 1 CFAF Cc1cccc(N(C(=O)C(=O)O)c2ccccc2)c1 35260752 CEGWJVYVELJTDT-UHFFFAOYSA-N 255.273 2.744 0 1 CFAF CC[C@H]1CCC2=C[C@@H]3C(C(F)(F)F)=CC(=O)N[C@H]3C=C2N1 195032263 CBBKASYECJYSCB-CWSCBRNRSA-N 298.308 2.576 0 1 CFAF CCN(CC)C1=NCCN=C(c2ccccc2F)C1 40576467 NKNDJKGKBPQMAI-UHFFFAOYSA-N 261.344 2.759 0 1 CFAF COc1ccccc1-c1ccc2ncnc(N)c2c1 148838352 CUSAKFRCIPMPMS-UHFFFAOYSA-N 251.289 2.888 0 1 CFAF COC(=O)c1cccc(N2CCc3ccccc3C2=O)c1 621476525 PGFKTSJVRNUIGS-UHFFFAOYSA-N 281.311 2.676 0 1 CFAF c1ccc(CNC[C@@H]2COC[C@H](c3ccccc3)O2)cc1 473171718 VHVZNPMMXKIJMS-QZTJIDSGSA-N 283.371 2.933 0 1 CFAF Cc1ccc2nc(CSc3nnc(S)s3)[nH]c2n1 587024457 ATCHXEYMQOCBTA-UHFFFAOYSA-N 295.418 2.699 0 1 CFAF CN(C)c1ncccc1-c1nc2nccc(Cl)c2[nH]1 587195600 JWIPLLGZQMWXTI-UHFFFAOYSA-N 273.727 2.739 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccnc1)O2 587395914 WBERVHCYYCBNPL-MRXNPFEDSA-N 268.316 2.853 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCn3cccc31)O2 587393899 OAMUNMFUGLYKOW-INIZCTEOSA-N 268.316 2.643 0 1 CFAF Cc1c(Cl)ccc2nc(C3=C(N)C(C)(C)OC3=O)[nH]c12 587255182 HIYNJVSWIWQKKT-UHFFFAOYSA-N 291.738 2.530 0 1 CFAF Cc1cc2c(O)nc(O)nc2nc1-c1ccc(F)c(F)c1 587368769 WMTHAEVFUSCCHK-UHFFFAOYSA-N 289.241 2.690 0 1 CFAF Oc1nccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587079637 FINYXJGLSZZIOH-LLVKDONJSA-N 287.706 2.993 0 1 CFAF CCc1ccc2nc(CS(=O)(=O)C3CCCC3)[nH]c2c1 586925269 YDCHZVSOGJNRIZ-UHFFFAOYSA-N 292.404 2.983 0 1 CFAF COc1ccc(Cc2nc3cc(OC)ncc3[nH]2)c(F)c1 587149878 VKEWHNBLWVABNB-UHFFFAOYSA-N 287.294 2.705 0 1 CFAF COc1cc2c3c(c1)O[C@H](c1ccccn1)[C@@H](C2)C3=O 587436268 PCJOPXNIGSXODJ-ZBEGNZNMSA-N 267.284 2.579 0 1 CFAF CC(C)Oc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587555874 RXJAUEDSBJDBLF-UHFFFAOYSA-N 297.314 2.890 0 1 CFAF CCc1nccn1C[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587390714 NJTORBXZRDNZHG-KRWDZBQOSA-N 299.374 2.760 0 1 CFAF COc1cc2nc(-c3cccc(CO)c3)[nH]c2cc1F 586894729 BUYGFIPGPQEDGX-UHFFFAOYSA-N 272.279 2.870 0 1 CFAF CCCc1c(O)cc(O)c(C(=O)[C@@H](C)CC)c1O 1857746818 SNIZJDDPXNNYKR-QMMMGPOBSA-N 252.310 2.985 0 1 CFAF Cc1cc(C)c2c(OCCCC(=O)O)nsc2n1 1772570099 QYJZDNXVNXGUFK-UHFFFAOYSA-N 266.322 2.552 0 1 CFAF CN(C)CCSc1nccc(-c2ccccc2)n1 5957950 IDWWOFPUMOSZAC-UHFFFAOYSA-N 259.378 2.797 0 1 CFAF COc1c(O)cc2oc(=O)cc(SC)c2c1C 13335039 NQBRPBJKKBDRTA-UHFFFAOYSA-N 252.291 2.538 0 1 CFAF CCCCC(=O)Nc1nn2c(CC(C)C)nnc2s1 15674571 UDIKSDZRLRRPKS-UHFFFAOYSA-N 281.385 2.513 0 1 CFAF O=C(O)c1ccccc1-c1cc2cccc(O)c2oc1=O 169309735 GGUCRRIGKWJXIQ-UHFFFAOYSA-N 282.251 2.864 0 1 CFAF CCn1cc(-c2cc(C(=O)O)[nH]n2)c2ccccc21 9238143 HAMGTRPEYUYOQJ-UHFFFAOYSA-N 255.277 2.750 0 1 CFAF CCCCNCCCCCCN(CCCC)[N+](=O)NO 377811249 PQUQXRVXPJVEIC-UHFFFAOYSA-N 289.444 2.626 0 1 CFAF C[C@]12CO[C@]3(C(=O)Nc4nccs4)C[C@H]1CC[C@]23C 407378 BTWJITAQMDZBHX-PCDDKUFXSA-N 278.377 2.677 0 1 CFAF COC[C@]1(O)[C@@]2(CCC[C@@H]2O)[C@H]2C[C@H]3CCC[C@@]2(C)[C@]31C 2356357799 UUORLUZANDRGRZ-QTTZJVNNSA-N 294.435 2.741 0 1 CFAF CCOC(=O)c1[nH]cc(C(=O)O[C@@H]2C[C@@H]3CC[C@@H]2C3)c1C 101441927 OADZOHBDSYHZTK-NQBHXWOUSA-N 291.347 2.845 0 1 CFAF c1cncc(-c2nc3c(OC4CCCC4)ncnc3[nH]2)c1 58603273 ZEGMJEXDLLRBHX-UHFFFAOYSA-N 281.319 2.736 0 1 CFAF CNc1ccc(N2CCNC[C@H]2Cc2ccccc2)cc1 53295608 AMKBEJSLPSMHMK-GOSISDBHSA-N 281.403 2.749 0 1 CFAF O=C1Oc2ccc(O)cc2/C1=C/c1cccc(O)c1 53297301 WDZWUNWKCLMUTJ-QPEQYQDCSA-N 254.241 2.557 0 1 CFAF CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)cc1 117259449 SOCJLEPKLPTDKI-QWRGUYRKSA-N 268.744 2.601 0 1 CFAF Cc1c(COC(=O)Nc2ccccc2)sc2ncnn12 66262396 AQHDPZJWXRAEAB-UHFFFAOYSA-N 288.332 2.848 0 1 CFAF Cc1cnc(N2CCC[C@H]2C)nc1NCc1ccccn1 82202063 HIWMDMTUXROWKQ-CYBMUJFWSA-N 283.379 2.781 0 1 CFAF CC(C)C[C@@H]1Cc2[nH]c(-c3ccncc3)cc2C(=O)N1 40976439 DNQQOYHORIBFLK-GFCCVEGCSA-N 269.348 2.777 0 1 CFAF Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1NC1CCCC1 82202933 VFLALJHMKDFYKT-BETUJISGSA-N 290.411 2.753 0 1 CFAF O=c1[nH]c(C[C@H]2C=CCC2)nc2c1cnn2C1CCCC1 146939477 KIDQOAJBNXNQBE-NSHDSACASA-N 284.363 2.743 0 1 CFAF O=C1OCc2ccc(OCCOc3ccc(F)cc3)cc21 96927362 XDRQPYCLDMROHW-UHFFFAOYSA-N 288.274 2.954 0 1 CFAF O=c1cc(COc2ccc(Cl)cc2)occ1O 96272011 TURWYTUDTSBMSL-UHFFFAOYSA-N 252.653 2.578 0 1 CFAF C[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C(=O)CN1 299826815 ICZYBIODJDOWKF-MRVPVSSYSA-N 273.163 2.708 0 1 CFAF Cc1cc(OCCCOc2ccc3c(c2)OCO3)on1 299835309 DEGRIXXVYUFQSY-UHFFFAOYSA-N 277.276 2.560 0 1 CFAF O=C(O)/C=C/c1ccccc1-c1nc2cnccc2[nH]1 586880379 PXOLBDNADTWKNB-AATRIKPKSA-N 265.272 2.723 0 1 CFAF Cc1c(F)cc(-c2nc3c(O)nc(S)nc3[nH]2)cc1F 587135032 QKTRTKQQZFWBNQ-UHFFFAOYSA-N 294.286 2.601 0 1 CFAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3c(Cl)ncnc3[nH]1)C2 586884016 GCGDLTUNRZPYAD-CIUDSAMLSA-N 288.738 2.645 0 1 CFAF COc1ccccc1CC(=O)c1nc2c(O)cccc2[nH]1 587932714 YWQXRSDAMQILAF-UHFFFAOYSA-N 282.299 2.703 0 1 CFAF Cc1cc2[nH]c(-c3cccc(N)c3C(=O)O)nc2c(C)n1 587249242 FQIJKPOLMVSCRN-UHFFFAOYSA-N 282.303 2.522 0 1 CFAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)C(=O)OC 963244894 XOXQIVFCJXRHFQ-MLGOLLRUSA-N 261.365 2.731 0 1 CFAF CCc1nc(-c2cc(OC)c(O)c(OC)c2)[nH]c1CC 1857598376 UCGDFCFWKKNASU-UHFFFAOYSA-N 276.336 2.924 0 1 CFAF CCC[C@H](O)/C=C/C=C/C=C\C#CC#CCCCO 5759958 FQVNSJQTSOVRKZ-VPKZEDLISA-N 258.361 2.595 0 1 CFAF O=C1CCc2cc3c(c4c5cc(O)ccc5n1c24)CNCC3 13558730 CGQGRCDXSPURIB-UHFFFAOYSA-N 292.338 2.732 0 1 CFAF C[C@@](O)(C(=O)Nc1ccc(Cl)cc1)C(F)(F)F 13649206 IVKLWZJCTHOJHZ-SECBINFHSA-N 267.634 2.592 0 1 CFAF CC(=O)c1cc(-c2ccccc2)c(=O)n2c1CCC2 203461107 XZVFPIDXBJYRQP-UHFFFAOYSA-N 253.301 2.664 0 3 CFAF Cc1cnc(NC(=O)CCCOc2cccc(O)c2)s1 1857605655 YMAXJFDFFOORQD-UHFFFAOYSA-N 292.360 2.955 0 1 CFAF Clc1ccccc1N=c1ccnc(Nc2cn[nH]c2)[nH]1 1857619828 QLQDDILFIHNGCC-UHFFFAOYSA-N 286.726 2.762 0 1 CFAF COc1ccc(-c2ccc3ccn(C(N)=O)c3n2)cc1 103236231 BJEGSFIDIFXPPW-UHFFFAOYSA-N 267.288 2.639 0 1 CFAF CCN(CC)C(=O)[C@]1(c2cccc3ccccc23)C[C@@H]1CN 28819391 HGJXFRXQJXYWOE-DNVCBOLYSA-N 296.414 2.925 0 1 CFAF Cn1cnc2nc(-c3ccc(Cl)cc3)nn2c1=S 26819596 PBVQMCALDQHTBZ-UHFFFAOYSA-N 277.740 2.513 0 1 CFAF CC(C)(C)c1ccc(-c2nc(N)[nH]c(=O)c2Cl)cc1 29545602 QJDDDSTYSDHVSB-UHFFFAOYSA-N 277.755 2.970 0 1 CFAF CN(CC(=O)c1ccccc1)c1cnnn1-c1ccccc1 49034874 YYDWRBZZBYXTFX-UHFFFAOYSA-N 292.342 2.586 0 1 CFAF Cc1ccc(-c2nc3cccc(C)c3c(=O)o2)cn1 42964608 MGCVBKOGZCUDCG-UHFFFAOYSA-N 252.273 2.867 0 1 CFAF O=[n+]1nc(NC2CCCCC2)n(O)c2ccc(Cl)cc21 90488165 HUDHMYYNYJNXMG-UHFFFAOYSA-N 295.750 2.586 0 1 CFAF O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccc(S)cc1 299846088 IBIAKHLCUNGCGL-DUBDDPSESA-N 285.368 2.677 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncccc1C)O2 587394085 QKLWBHAYLVPCHS-AWEZNQCLSA-N 268.316 2.987 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@H]3CC(=O)C[C@@H]3C1)O2 587408956 RUHQKJKJRWHURJ-GHMZBOCLSA-N 285.343 2.670 0 1 CFAF Oc1cccc(CCc2nc3cc4c(cc3[nH]2)OCO4)c1 586896209 LRKWUPAHCBDNMW-UHFFFAOYSA-N 282.299 2.782 0 1 CFAF FC(F)(F)Oc1ccc2nc([C@H]3CCOC3)[nH]c2c1 586911352 HLNIJGLQULQYDW-ZETCQYMHSA-N 272.226 2.965 0 1 CFAF C[C@H](SCc1ccccc1)c1nc2c[nH]c(=N)[nH]c-2n1 586962631 TUOLJWDMPBQNCM-VIFPVBQESA-N 285.376 2.711 0 1 CFAF COc1ccc2[nH]c(-c3cc(F)cnc3OC)nc2c1 587175424 DHTYFRYFZKIPAK-UHFFFAOYSA-N 273.267 2.781 0 1 CFAF CC(C)[C@H]1CCc2cc3c(O)nc(O)nc3nc2CC1 587562316 WDWXFHCNJSWBKZ-VIFPVBQESA-N 273.336 2.587 0 1 CFAF COc1cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2cn1 587089053 WPWDHLSGOZVKRP-QMMMGPOBSA-N 294.305 2.716 0 1 CFAF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccnc(O)c3[nH]2)cc1 586887122 HIPWXRGULOPJPU-YGRLFVJLSA-N 283.331 2.809 0 1 CFAF CCCC[C@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963490518 KKFRFUUXKUAFMS-OLZOCXBDSA-N 263.337 2.531 0 1 CFAF O=C(O)CCC(=O)c1c(C(=O)O)[nH]c2cc(Cl)ccc12 1857585966 BQFUUNGYBLVDIJ-UHFFFAOYSA-N 295.678 2.567 0 1 CFAF Cc1c(-c2ccccc2)sc2nc(N)nc(N)c12 5891687 DMKSLYUPVBFQGV-UHFFFAOYSA-N 256.334 2.831 0 1 CFAF Cc1cc(=O)nc2n([C@H](C)c3ccccc3)[nH]cc1-2 12727165 ZYYFUFGLKWHRFU-LLVKDONJSA-N 253.305 2.594 0 3 CFAF O=C1Cc2ccc(O)cc2/C=N/C=C\c2cc(O)ccc21 13407326 PHTNPJUNCWXYDO-JXRAZSBNSA-N 279.295 2.926 0 1 CFAF CC(C)=CCc1c(O)cc(O)c2c1CC(=O)O[C@@H]2C 13459745 MGKHUJTUWRBTHG-SECBINFHSA-N 262.305 2.767 0 1 CFAF CCCC(=O)NCCn1ccc2ccc(OC)cc21 13763023 IUOPELWMBICPHG-UHFFFAOYSA-N 260.337 2.566 0 1 CFAF CCC(=O)Oc1ccc2c(c1)[C@@]1(C)CCN(C)[C@@H](C2)C1 169346411 JUPGSKZKSPYVPT-GUYCJALGSA-N 273.376 2.910 0 1 CFAF Cc1ccc([C@@H]2c3c(n[nH]c3C)N=C3COC(=O)[C@@H]32)cc1C 1857575558 TYJNOBGMCSRTPQ-CABCVRRESA-N 295.342 2.726 0 1 CFAF CNc1ccc(NC(=S)N[C@H](C)C(C)(C)C)cn1 26567839 RFDTYGWJTAAJEZ-SECBINFHSA-N 266.414 2.844 0 1 CFAF O[C@](c1ccc(Cl)cc1)(c1cncnc1)C1CC1 28769322 GHALJIWVFQMGND-CQSZACIVSA-N 260.724 2.776 0 1 CFAF CN1C(=O)c2ccccc2N(C)[C@H]1c1ccc2c(c1)OCO2 843013 LVPALJVOMJSLQI-MRXNPFEDSA-N 296.326 2.636 0 3 CFAF CCc1ccc(N2C[C@@]3(CN4CCC3CC4)OC2=O)s1 3964501 DRUIBUDSFOPOFK-OAHLLOKOSA-N 292.404 2.732 0 1 CFAF CC(=O)c1c(CCC(C)C)cc(O)c2c1C[C@H](O)CC2=O 2356434224 JFILTNJCAAYNBY-LBPRGKRZSA-N 290.359 2.673 0 1 CFAF Nc1nc2ccc(O)nc2n1-c1ccccc1C(F)(F)F 118265967 RIPVCUJKAWQLPG-UHFFFAOYSA-N 294.236 2.727 0 1 CFAF CC(C)=CCc1ccc(O)c2c1[C@H](CC(=O)O)OC2=O 2356453968 SGANRXIOFBZJJF-NSHDSACASA-N 276.288 2.587 0 1 CFAF CCC1(CC)C[C@H](CCNC(=O)c2ccccc2)OC1=O 103286421 XOKOZKPKPRACHM-AWEZNQCLSA-N 289.375 2.928 0 1 CFAF CC(C)(C)[C@@H](O)[C@@H](CCc1ccccc1)n1cncn1 27429434 FUEUANSVRKTDPM-CABCVRRESA-N 273.380 2.859 0 1 CFAF CC(=O)OCCc1c(C)c(O)c2c(c1C)[C@H](O)C(C)(C)C2 2356661928 VIHHXDWCUWJCHV-INIZCTEOSA-N 292.375 2.730 0 1 CFAF CCc1nnc2c(N3CCCCC3)nc3ccccc3n12 26378086 YVAOYSFLXFWIRD-UHFFFAOYSA-N 281.363 2.830 0 1 CFAF COc1ccc(NCc2c(-c3ccccc3)no[n+]2[O-])cc1 34530531 XFVNLHGUHKWGAP-UHFFFAOYSA-N 297.314 2.596 0 1 CFAF Cc1noc2c1[C@H](c1cccs1)SCC(=O)N2 73224409 SUGBBOZOAYFQQU-JTQLQIEISA-N 266.347 2.819 0 1 CFAF COc1ccc2oc(-c3ccc(C(N)=O)nc3F)cc2c1 84759453 VORLKYPENGMNES-UHFFFAOYSA-N 286.262 2.741 0 1 CFAF COc1ccc(CNc2ncnc(-c3ccco3)c2N)cc1 49807826 SZNIKHIJAJUGSI-UHFFFAOYSA-N 296.330 2.940 0 1 CFAF CCCCOCCOC(=O)c1csc(CC)n1 82075078 AZJCQXFAZAGKKF-UHFFFAOYSA-N 257.355 2.679 0 1 CFAF C[C@@]12CCC[C@@](O)(C1)[C@@H]1CC3(CCCC3)[C@]1(CO)[C@H](O)C2 85547561 RLXIIDVTPCQPSG-FZMWSMFESA-N 294.435 2.621 0 1 CFAF biogenic,in-vitro CC(=O)O[C@H]1/C=C(\C)C[C@@H](O)[C@H](O)/C(C)=C\C[C@H]1C(C)C 238755799 GWHDNXVDPMZMEC-GWNVQMKSSA-N 296.407 2.599 0 1 CFAF CCC(=O)SCC[C@@H](CN(C)C)SC(=O)CC 98081903 INFHPVUCDDQPFQ-JTQLQIEISA-N 277.455 2.646 0 1 CFAF CCc1ccc2nc([C@H](O)c3cccc(O)c3)[nH]c2c1 586891081 MRDKWDYXZNVBAP-OAHLLOKOSA-N 268.316 2.913 0 1 CFAF CCn1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)n1 587433428 XXYXLHQIOHHROX-SJKOYZFVSA-N 298.342 2.709 0 1 CFAF CCOC(=O)c1cnn(C)c1C(=O)c1coc2ccccc12 587280798 YTFKFNPWPMREIU-UHFFFAOYSA-N 298.298 2.574 0 1 CFAF OCCc1ccc2nc(C3(c4ccccc4O)CC3)[nH]c2c1 586896360 BVYVXANWZAVIRN-UHFFFAOYSA-N 294.354 2.883 0 1 CFAF Cc1cccc2nc(-c3ccc(CC(=O)O)c(N)c3)[nH]c12 587250843 ZYWGIZJNTNURQM-UHFFFAOYSA-N 281.315 2.748 0 1 CFAF COc1cc2c3c(c1)O[C@]1(C[C@@H]4CC[C@H]1CC4=O)[C@@H](C2)C3=O 587447162 MKTVDQMMVLKHBX-GXYYYYPTSA-N 298.338 2.571 0 1 CFAF Cc1ccc2c(ccc3nc(-c4c[nH]ccc4=N)[nH]c32)n1 587248819 FOYKIEMZGAVILI-UHFFFAOYSA-N 275.315 2.894 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](C)O[C@H](C)C1)O2 587414601 WIQQFEMOAAHKHS-CULMDFNYSA-N 275.348 2.869 0 1 CFAF CN(Cc1ccccc1)C[C@@H](O)C[C@@H](O)c1ccccc1 877933902 VBJQDHGYODLBBC-ZWKOTPCHSA-N 285.387 2.603 0 1 CFAF COC(=O)CC=C1c2ccccc2OC[C@@H](OC)[C@H]1C 1857622634 APVLMEMJLXYXSR-XHDPSFHLSA-N 276.332 2.677 0 1 CFAF CSC[C@@H](C)N1CCC(CCC(=O)NC2CC2)CC1 11999294 DSZYJQTZELOLAL-GFCCVEGCSA-N 284.469 2.509 0 3 CFAF O=C(N[C@@H]1CCCc2ccccc21)[C@H]1COc2ncccc21 205628409 YQAIIZWOJNOYFT-JKSUJKDBSA-N 294.354 2.751 0 1 CFAF C[C@H]1C[C@H](OC(=O)[C@H](O)c2ccccc2)CC(C)(C)N1C 3875689 QSAVEGSLJISCDF-AEGPPILISA-N 291.391 2.525 0 3 CFAF in-man CCN1CCC(=O)N(c2ccc(Cl)cc2C)C1=S 3953027 UKGJKWUDIFAVNX-UHFFFAOYSA-N 282.796 2.992 0 1 CFAF CC1(C)CC2=Nc3ncnn3[C@H](c3cccnc3)C2=C(O)C1 104100365 SOUBUCFLYCJFIA-CQSZACIVSA-N 295.346 2.981 0 1 CFAF Cn1c2c(c3ccc(Cl)c(Cl)c31)CCNC2=O 28540147 MYIBLDZPAOEFTB-UHFFFAOYSA-N 269.131 2.771 0 1 CFAF in-vitro CC(=O)O[C@@H]1C[C@H](C)[C@@H]2[C@@H]3[C@H](C[C@](C)(O)[C@@H]12)[C@H]3C(C)C 2356689938 GHRGLJQMRODXCV-ODYPSMDGSA-N 280.408 2.863 0 1 CFAF CCN(CC)C(=O)c1c(-c2cccs2)noc1[C@@H](C)O 2356731850 GDXFKCBFPPOMEH-SECBINFHSA-N 294.376 2.938 0 1 CFAF Nc1nc2ccnc(-c3cc(Cl)cc(Cl)c3)n2n1 28246644 AIBBYZBYLQRQED-UHFFFAOYSA-N 280.118 2.680 0 1 CFAF COC(=O)c1ccc2nc([C@@H]3C[C@@H](C)CCO3)[nH]c2c1 586917310 POKLKVIPIZVHTE-ZANVPECISA-N 274.320 2.837 0 1 CFAF Nc1cc(C(=O)O)ccc1Cc1nc2ccc(F)cc2[nH]1 587250829 ZVSPLGPEEZIEPZ-UHFFFAOYSA-N 285.278 2.573 0 1 CFAF COc1ccc(Cc2nc3c(Cl)ncnc3[nH]2)c(F)c1 587148122 AYJIWVLNKYPJOW-UHFFFAOYSA-N 292.701 2.745 0 1 CFAF CC(C)[C@H]1CCCc2nc3nc(O)nc(O)c3cc2C1 587560945 CYDKYQZRFRMGTL-VIFPVBQESA-N 273.336 2.587 0 1 CFAF Oc1ccc(C2(c3nc4c(Cl)ncnc4[nH]3)CC2)cc1 586895917 DHRCEODLPSFDIV-UHFFFAOYSA-N 286.722 2.792 0 1 CFAF CC(C)[C@@H](c1nc2cc3c(cc2[nH]1)NC(=O)CC3)N(C)C 587198484 GOIGUVCKWUIYFJ-HNNXBMFYSA-N 286.379 2.706 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1ncccc1C)[C@@H](C2)C3=O 587437422 ZYOIQERHFSGOIW-YVEFUNNKSA-N 281.311 2.887 0 1 CFAF COc1cccc(-c2cc3ncnc(NN)c3s2)c1 958064358 IKOFNRUXTFQGSU-UHFFFAOYSA-N 272.333 2.653 0 1 CFAF CCc1nn(C)cc1[C@@H]1NCCc2c1sc(C)c2C 963021620 JYQZFKUDSAAZPK-AWEZNQCLSA-N 275.421 2.896 0 1 CFAF Cc1cccc([C@H]2c3nn(C)cc3CCN2C)c1C 963953569 BGDKQSZLYXVJCF-INIZCTEOSA-N 255.365 2.614 0 1 CFAF Cc1ccc2oc(=O)c(CC(=O)c3ccco3)nc2c1 13118266 XSFFQCDCWWNLCJ-UHFFFAOYSA-N 269.256 2.515 0 1 CFAF C[C@](O)(C(=O)Nc1ccccc1Cl)C(F)(F)F 13557242 XJVOPOWBIDUKFI-VIFPVBQESA-N 267.634 2.592 0 1 CFAF O=C(O)c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O 13682461 VKNMKLOFAQHPSM-UHFFFAOYSA-N 279.295 2.817 0 1 CFAF C[C@H]1OC(=O)Cc2c3c(cc(O)c21)OC(C)(C)CC3 14510457 OWDVYMGWYSAHII-MRVPVSSYSA-N 262.305 2.656 0 1 CFAF COc1c(O)c(CC=C(C)C)c2oc(=O)ccc2c1O 14814678 YQPHEEHDNUGSCE-UHFFFAOYSA-N 276.288 2.722 0 1 CFAF N[C@@H](Cc1ccc(Cl)c(-c2cccc(O)c2)c1)C(=O)O 1857643973 DSEZNOSITRSTCW-AWEZNQCLSA-N 291.734 2.667 0 1 CFAF C[C@H](CCc1ccc(O)cc1)N(C)CCc1c[nH]cn1 29411767 RPMYZBPRGKXHLK-CYBMUJFWSA-N 273.380 2.611 0 1 CFAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1ccco1 101492096 IMUMCVJFVZECHQ-MBFWDRTGSA-N 291.303 2.701 0 1 CFAF CC(C)=CN1CCn2c(=O)[nH]c3cccc(c32)[C@H]1C 101713425 RXLJHOSAJUOLFY-LLVKDONJSA-N 257.337 2.630 0 1 CFAF O=C(N=c1[nH]c2ccccc2[nH]1)[C@H]1C[C@@H]1c1cccc(F)c1 67018089 JMGGZIGMGLACDQ-OLZOCXBDSA-N 295.317 2.866 0 1 CFAF COC(=O)C(=N)/C=C(\O)c1ccc(F)c(Cl)c1 28260268 WERFMBBJFFIZIC-BIIQMUQRSA-N 257.648 2.571 0 1 CFAF CC[C@](C)(O)CCCCc1cc(O)c(C)c(=O)o1 2356792289 JNXLIDJEEQRMRD-AWEZNQCLSA-N 254.326 2.528 0 1 CFAF COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(F)cc1)O2 39153230 UNNABHWRKRTYKT-FQUUOJAGSA-N 264.296 2.650 0 1 CFAF C[C@H](C(=O)O)c1ccc(C[C@H]2CCCC2=O)cc1F 64448060 YDEVCGCLYOHOIL-GXSJLCMTSA-N 264.296 2.926 0 1 CFAF in-vivo C[C@@H]1C[C@@H]2OC(=O)[C@H](C)[C@H]2C[C@]2(C)C(=O)CC[C@@H]12 73138506 SMONPNAHOSGWNR-QQTPGOFBSA-N 250.338 2.579 0 1 CFAF CN1C(=O)c2ccc(Nc3ccccc3)cc2C1=O 45392975 DAHJVNUHBMYWCF-UHFFFAOYSA-N 252.273 2.656 0 1 CFAF COc1ccc(C(=O)CN2C=CC=C/C2=C/N=O)cc1 137501310 LBUOCBPLYTYWEN-RAXLEYEMSA-N 270.288 2.871 0 1 CFAF CCOC(=O)[C@H]1[C@H]2c3c(nc4cccc5c4c3CC5)C[C@H]21 587214765 UJWSJKDKCZLNTL-SSKCKEOISA-N 279.339 2.782 0 1 CFAF COc1ccc2nc(-c3occ4c3CCC4)[nH]c2n1 586905696 ZBOBSUDBKQBXGD-UHFFFAOYSA-N 255.277 2.715 0 1 CFAF CNc1c(F)cccc1-c1nc2cc(OC)ncc2[nH]1 587135436 AKMWSUOYIBSCGB-UHFFFAOYSA-N 272.283 2.814 0 1 CFAF CCCn1nccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432532 QFOJSUXAJDDSMS-SJKOYZFVSA-N 298.342 2.790 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncc(Cl)cn1)O2 587379500 IWJPYOZHCFYFPN-GFCCVEGCSA-N 289.722 2.727 0 1 CFAF COc1cnc(-c2nc3cc(O)ccc3[nH]2)cc1Cl 587065066 SFHHZDQEZDOKIF-UHFFFAOYSA-N 275.695 2.993 0 1 CFAF N[C@H](N=O)c1ccc2nc(C(F)(F)C(F)F)[nH]c2c1 587089109 JDYGBWSXOPXUPP-SSDOTTSWSA-N 276.193 2.644 0 1 CFAF N[C@@H](COc1ccc(C2SCCS2)cc1)N=O 957868995 OUPLHVABVMUCDV-SNVBAGLBSA-N 270.379 2.595 0 1 CFAF CCN(CC1CCN(Cc2ccccc2)CC1)C(C)=O 1857773531 ATLREHSWOSWZCJ-UHFFFAOYSA-N 274.408 2.767 0 1 CFAF CC[C@@H](C)c1cccc(OC[C@@H](O)CNC(C)C)c1 5922803 PPYOOTZYZMMBNR-HIFRSBDPSA-N 265.397 2.938 0 1 CFAF CCCC[C@H](CC)CNC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2 13153652 LDANTJAENASOOT-RMEBNNNOSA-N 293.407 2.842 0 1 CFAF O=[P@]1(Oc2ccccc2)NCc2ncccc2O1 13223299 ZJKCHHXWFJZLEF-SFHVURJKSA-N 262.205 2.751 0 1 CFAF CC[C@@]12CC[C@H]3[C@H](C)CC[C@H]4CC(=O)O[C@@H](O1)[C@]43O2 169340298 QNOOEARUAZQAMK-DHIIWHAXSA-N 266.337 2.607 0 1 CFAF Fc1ccc(-c2ccc(O[C@H]3CN4CCC3CC4)nn2)cc1 3948114 BHXMOCYYBAPUGP-INIZCTEOSA-N 299.349 2.756 0 1 CFAF C/C(=C1/NC(=S)NC1=O)c1ccc2ccccc2c1 102975738 DTUHCBSGXWJLLC-LCYFTJDESA-N 268.341 2.575 0 1 CFAF NC(=S)CCn1nc(-c2ccccc2)ccc1=S 28096099 MBYHYHHWTMRJEE-UHFFFAOYSA-N 275.402 2.956 0 1 CFAF C[C@]1(CO)CCC[C@]2(C)c3ccc(O)cc3[C@H](CO)[C@@H]12 2356505000 MTNURUQAWCRCEW-QMCVQRASSA-N 276.376 2.538 0 1 CFAF COC[C@]1(O)[C@H](CO)[C@H]2CC[C@@]1(C)[C@]2(C)C1CCCCC1 2356595584 MSEDTCPMPHXYPR-SFFUCWETSA-N 296.451 2.989 0 1 CFAF c1ccc2c(c1)N[C@@H]1CC[C@H]3[C@H]4CCO[C@@]35N(CC4)CC[C@@]215 2356647781 VXULHDGVSWUSAZ-CTMNZFAUSA-N 296.414 2.971 0 1 CFAF CC=C(C)C(=O)N[C@H]1CCCN1C(=O)C=Cc1ccccc1 2356660615 JESGIROWPOPQQV-MRXNPFEDSA-N 298.386 2.731 0 1 CFAF CC1=CCC[C@H](C)[C@@]1(C)CCC1=C[C@@H](O)OC1=O 2356808193 YOABPNKAIQIASF-WHOFXGATSA-N 250.338 2.951 0 1 CFAF CCN(C)C[C@H]1CC[C@@H](Cc2ccc3c(cnn3C)c2)O1 72433571 DDQMJBFJMLOXRP-JKSUJKDBSA-N 287.407 2.615 0 1 CFAF Cc1cn[nH]c1C(=O)Nc1ccc(F)cc1Cl 225447559 JSDHRGANTOLRGS-UHFFFAOYSA-N 253.664 2.763 0 1 CFAF C[C@@H]1C[C@H]2C[C@H]3N[C@@H](C1)[C@@]21CCCN(C)CCC[C@H]31 86021361 DJAJVKXYHMDFRT-NEMWNAMBSA-N 262.441 2.885 0 1 CFAF C[C@H]1OC=C2[C@H]3C[C@@H]4N(CC[C@@]45c4ccccc4N[C@@H]25)C[C@H]31 85831159 ZPWKJDJQSMHALT-MNQBOATCSA-N 294.398 2.745 0 1 CFAF C[C@@H]1[C@H]2Cc3ccc(C(N)=O)cc3[C@@]1(C)CCN2CC1CC1 145064944 FAVQVALXVLMHLE-LLSQANQASA-N 298.430 2.720 0 1 CFAF CCC(=O)SCC[C@H](CN(C)C)SC(=O)CC 98081904 INFHPVUCDDQPFQ-SNVBAGLBSA-N 277.455 2.646 0 1 CFAF Nc1ncc(-c2ccncc2Br)c(C2CC2)n1 299833068 NPSQMONAPWUPSS-UHFFFAOYSA-N 291.152 2.761 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C[C@@H]1CCOC1)O2 587408001 GGXIQTYJDPZVPP-MEDUHNTESA-N 275.348 2.728 0 1 CFAF Oc1ncnc2[nH]c(-c3ccc(C4CCC4)cc3)nc12 586881295 SJXLUHLKZIIFOK-UHFFFAOYSA-N 266.304 2.993 0 1 CFAF CS(=O)(=O)/C=C/c1nc2cc(Cl)c(Cl)cc2[nH]1 586923827 XEKFGIIXBGZXLS-NSCUHMNNSA-N 291.159 2.885 0 1 CFAF CCCc1c(O)ccc2c1O[C@](CCC)(C(=O)O)CC2=O 587491348 UEAMHBJRXGDVOV-INIZCTEOSA-N 292.331 2.933 0 1 CFAF CC(C)[C@H](N)c1nc2ccc(Br)c(O)c2[nH]1 587259158 QVVIGGKAUHWWSX-QMMMGPOBSA-N 284.157 2.687 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccncc1F)O2 587387790 WZDIVTVWYQAFFK-MRXNPFEDSA-N 286.306 2.992 0 1 CFAF CN1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587512849 FZPXFDFKFUPBQX-UHFFFAOYSA-N 285.387 2.995 0 1 CFAF N=C(N)c1ccc2[nH]c(-c3ccc(CN=O)cc3)nc2c1 587190134 KEGSAMBHVZIAGV-UHFFFAOYSA-N 279.303 2.780 0 1 CFAF Oc1cccc(CCCCc2nc3ccnc(O)c3[nH]2)c1 586896020 FZPWIJMGVFDKFQ-UHFFFAOYSA-N 283.331 2.935 0 1 CFAF c1cc2c3c(cc(-c4ccc(-n5cnnn5)cc4)nc3c1)CC2 587211901 JAHQQKGAFSACAA-UHFFFAOYSA-N 299.337 2.976 0 1 CFAF COc1cc(OC)cc([C@]2(C)NCCc3c(C)ccnc32)c1 963068046 JPUVHWIGEXWIHQ-SFHVURJKSA-N 298.386 2.816 0 1 CFAF Cn1c2c(c3ccccc31)CC[C@@H](Cn1ccnc1)C2=O 59283624 LOJIPLCKUQMZMI-LBPRGKRZSA-N 279.343 2.820 0 1 CFAF O=[S@]1c2ccccc2SN1CCc1ccncc1 5939765 ZPUJJHULUHZXNR-GOSISDBHSA-N 276.386 2.670 0 1 CFAF CCOc1c(O)c(C(C)=O)c(OC)c2ccoc12 13682235 PACCYYUJPQHHRX-UHFFFAOYSA-N 250.250 2.748 0 1 CFAF CCCOc1nc2sc3c(c2c(=O)o1)CCCC3 13779491 VGEBRMFVWWHQOR-UHFFFAOYSA-N 265.334 2.917 0 1 CFAF C[C@H]1CC[C@H]2C(C)(C)C(=O)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]23O4 169364660 DETKYIOHRCKRIT-QQOSTIKOSA-N 280.364 2.853 0 1 CFAF C[C@@]12CO[C@@]3(C(=O)Nc4nccs4)C[C@@H]1CC[C@@]32C 169689383 BTWJITAQMDZBHX-KQURDKLPSA-N 278.377 2.677 0 1 CFAF CC(C)Cn1cc2[nH]c(N3CCC[C@H](C)C3)ncc-2c1=O 1857594423 QOEBQOUSWKWVGL-LBPRGKRZSA-N 288.395 2.569 0 1 CFAF COc1ccccc1NC(=O)[C@@H]1CCCC[C@@]1(C)C(=O)O 1857771233 KHNYQPQINITBQI-MEDUHNTESA-N 291.347 2.915 0 1 CFAF COc1ccc2c(c1)[C@@H](CCNC(=O)C(C)C)CC2 21170 SOXXIXGGIULERY-CYBMUJFWSA-N 261.365 2.887 0 1 CFAF CNc1ncc2ncnc(Nc3cccc(C)c3)c2n1 3815143 CKGJCAISFNGPHH-UHFFFAOYSA-N 266.308 2.514 0 1 CFAF CC1=CCS(=O)(=O)[C@H]1[C@@H](O)C1=C(C)CCCC1(C)C 1652907 QFXAVRIMIVBVLD-UONOGXRCSA-N 284.421 2.617 0 1 CFAF C[C@@H]1CN2C(=O)c3ccccc3[C@@]2(c2ccccc2)O1 6488527 MRZJCUSMOAGLGY-SJKOYZFVSA-N 265.312 2.762 0 1 CFAF CCC(=O)C[C@H](NC(=O)OC)c1ccc(F)cc1 7992430 FWQLSHNNXIGGMI-LBPRGKRZSA-N 253.273 2.592 0 1 CFAF O=C(c1cccc2ccccc12)N1C[C@@H]2CNC[C@@H](C2)C1 103243570 SMWOXRCHPDXUGS-OKILXGFUSA-N 280.371 2.521 0 1 CFAF CCC[C@@H]1Cc2c(O)c(Cl)cc(O)c2C(=O)O1 59151805 SEIIWAQCIOACJZ-ZCFIWIBFSA-N 256.685 2.633 0 1 CFAF Fc1cccc(CCN2CCNC[C@@H]2Cc2ccccc2)c1 59888901 JTWSTROCINPIIK-IBGZPJMESA-N 298.405 2.885 0 3 CFAF O=C(Cn1ccnc1)Nc1nc2ccc(Cl)cc2s1 103173226 XDUKHXKZCJRYAI-UHFFFAOYSA-N 292.751 2.785 0 1 CFAF Fc1ncc([C@H]2C[C@H]3CC[C@H]2N3)cc1Br 100048027 HREHVDXXFVARNZ-NQMVMOMDSA-N 271.133 2.591 0 1 CFAF CCCc1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1 100446569 FOIADZGYILOFMN-UHFFFAOYSA-N 267.332 2.951 0 3 CFAF NC[C@H](O)c1cccc(OCc2ccc3ccccc3n2)c1 26181831 XFTDTTXHSWXATQ-SFHVURJKSA-N 294.354 2.806 0 1 CFAF CCOCC=Cc1cc(OC)c(OC)c(OC)c1 2356544414 OEWZFCXQOKPDBE-UHFFFAOYSA-N 252.310 2.762 0 1 CFAF CC(C)=CCc1ccc(O)c2c1[C@H](O)C[C@H]([C@@H](C)O)OC2 2356598041 DAAIXDKHKPEZLL-HFBAOOFYSA-N 292.375 2.604 0 1 CFAF Cc1cc(O)c([C@]2(C)C[C@@H](O)CC2(C)C)cc1O 2356855360 RCNJFXVTFBBMKY-BONVTDFDSA-N 250.338 2.845 0 1 CFAF CNCC[C@H](c1ccccc1)n1c(=O)n(C)c2ccccc21 34986463 KNRWBQQXTOGVJT-OAHLLOKOSA-N 295.386 2.539 0 1 CFAF C[C@@](O)(c1cccc(O)c1)c1ncnc2ccccc12 199275760 WWZMVEIGNWFAGJ-MRXNPFEDSA-N 266.300 2.591 0 1 CFAF COc1ccc(O)cc1-c1nc2ccc(O)cc2[nH]1 96906804 BQSIVMXXAKOPTR-UHFFFAOYSA-N 256.261 2.650 0 1 CFAF Cc1ccc2c(c1)C(=O)[C@]1(OC(=O)c3ccccc31)O2 95590150 AFJNCTGZNRTOPL-INIZCTEOSA-N 266.252 2.594 0 1 CFAF C[C@@H]1[C@@H](NC(=O)Cn2cc3c(n2)CCCC3)CCC[C@H]1C 251868357 QJQZQVNDYFHFLT-IPYPFGDCSA-N 289.423 2.703 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)[C@H](C)C1=O)O2 587405968 OPKABLJHIRDGBN-PUTJDCORSA-N 273.332 2.526 0 1 CFAF CN(C)C(=O)c1ccc2nc(C(F)(F)C(F)F)[nH]c2c1 587088737 AWXDSIGJKMWJOI-UHFFFAOYSA-N 289.232 2.622 0 1 CFAF CC[C@@]1(C)C[C@H]1c1nc2nc(Br)c[nH]c-2n1 586890368 OQSZOMYTVPCNNI-KGFZYKRKSA-N 281.157 2.971 0 1 CFAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O)cc1)O2 587403079 DZGCOIKYOANQMV-HNNXBMFYSA-N 269.300 2.989 0 1 CFAF COc1cncc2nc(C34CCC(CO)(CC3)CC4)[nH]c12 586895785 YWOLPZCSJLQYFU-UHFFFAOYSA-N 287.363 2.551 0 1 CFAF CC(C)(Cl)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587008325 NTAROBFVSMCPRN-UHFFFAOYSA-N 293.798 2.869 0 1 CFAF Cc1c(F)ccc2c1[C@H](c1ncc([C@H](C)O)s1)NCC2 962089058 FSCQHSOKRZIDJE-LKFCYVNXSA-N 292.379 2.879 0 1 CFAF O[C@H](C[C@H]1c2ccccc2-c2cncn21)c1ccccn1 203792700 FNGDHPYZIOFVLB-DOTOQJQBSA-N 277.327 2.972 0 1 CFAF COc1ccncc1NC(=O)N1CCOc2ccccc21 1772611755 WCIOUWGBNQCVHL-UHFFFAOYSA-N 285.303 2.521 0 1 CFAF CC(C)c1n[nH]c2c(NCc3cccc(O)c3)ncnc12 13538206 SSGCSNJTMUOJGA-UHFFFAOYSA-N 283.335 2.794 0 1 CFAF COC(=O)[C@@H]1[C@H](c2ccccc2)C[C@@H]2CCC[C@H]1N2C 13760473 BKQAVNYMOZGBMJ-CAOSSQGBSA-N 273.376 2.816 0 1 CFAF COc1cc2c(cc1C)-c1cc(=O)c(C(=O)O)cn1[C@H](C)C2 1857771484 GSMYJBGXJUIVBN-SNVBAGLBSA-N 299.326 2.648 0 1 CFAF CCOc1c(C)cc2[nH]c(CCC(=O)O)nc2c1C 522900 BVXSNQSIRQZIQN-UHFFFAOYSA-N 262.309 2.596 0 3 CFAF O[C@@]1(c2cccc(Cl)c2)c2ccccc2C2=NCCN21 3610032 OYWHYTUIHQDEED-INIZCTEOSA-N 284.746 2.609 0 1 CFAF CCN(c1ccccc1)c1cc(C)nc2nc(C)nn12 4822609 CGWSQWZPQGCSTR-UHFFFAOYSA-N 267.336 2.899 0 3 CFAF C=CC(=O)O[C@@H]1C(=O)N(SC)[C@@H]1c1ccccc1Cl 28816434 OUURAKDSQQEGEC-NEPJUHHUSA-N 297.763 2.599 0 1 CFAF C[C@@H](CC(=O)C[C@@]1(C)C2C[C@@H]3[C@@H](C2)C31C)C(=O)O 100778707 PJKNORSNWWYCMC-GHVNEOIPSA-N 250.338 2.739 0 1 CFAF endogenous,in-man COc1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccn1 28569776 HAHDKXDDOBLEEH-UHFFFAOYSA-N 294.236 2.819 0 1 CFAF CC(C)OC[C@@]1(C(=O)c2ccc(N)c(Cl)c2)CCCN1 62225343 HFJPQKBQGCFBQI-OAHLLOKOSA-N 296.798 2.652 0 1 CFAF C=CC(=O)O[C@H]1C(=O)N(SC)[C@H]1c1ccccc1Cl 28816429 OUURAKDSQQEGEC-NWDGAFQWSA-N 297.763 2.599 0 1 CFAF COC(=O)C(C)=C[C@H](C)C[C@H](C)C[C@](C)(O)C[C@@H](C)O 2356729778 IQQFJADQXWBZGX-FIRUKDTASA-N 286.412 2.680 0 1 CFAF CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(C)oc2C)CC1 61905061 OQTXMNZZGVZMCV-CYBMUJFWSA-N 293.363 2.702 0 3 CFAF O=C1[C@H]2CCCC[C@@H]2C(=O)N1Nc1ccc(Cl)cc1 40918980 KCYHMOORWZPAGJ-RYUDHWBXSA-N 278.739 2.842 0 1 CFAF Cc1ccccc1O[C@H]1c2ccccc2CO[C@H]1CN 40424820 BHTUHPLMWNGSLY-IRXDYDNUSA-N 269.344 2.973 0 1 CFAF CC(=O)c1cc2c(cc1O)O[C@@]1(C)OC[C@H](C)[C@H]1C2 86005294 BFLZUNPIROUVLO-IBRIGMFSSA-N 262.305 2.528 0 1 CFAF Cc1coc2c1[C@@H]1OC(=O)C3=CCC[C@H](C2=O)[C@@]31C 238760031 PJONERLFBPPJEL-AFEMSUNCSA-N 258.273 2.725 0 1 CFAF Cc1coc2c1[C@@]1(C)C=C(CC[C@@H]3O[C@@]3(C)C2)C(=O)O1 238767864 FHNDNKXNYNJSEZ-VBNZEHGJSA-N 274.316 2.780 0 1 CFAF CCO[C@H](C)c1c(OC)cc2c(c1O)C(=O)CC[C@H]2O 238766157 LZCGYNOACMSXSZ-PSASIEDQSA-N 280.320 2.508 0 1 CFAF O=C(O)[C@H](O)CSc1ccc(-c2ccccc2)cc1 146504194 VFOVFYUIMWANJU-CQSZACIVSA-N 274.341 2.891 0 1 CFAF COc1ccc2nc(C(C)(C)CSC)[nH]c2n1 586969757 XRICRUUXVGHHEE-UHFFFAOYSA-N 251.355 2.607 0 1 CFAF N=c1[nH]ccc2nc([C@@H]3SCCc4sccc43)[nH]c12 587037822 YUWSIRKZBZAKPR-LLVKDONJSA-N 288.401 2.811 0 1 CFAF Fc1cnc2nc(-c3cccc(OCC(F)F)n3)[nH]c2c1 587122010 BCNQFNVMYNFECJ-UHFFFAOYSA-N 294.236 2.803 0 1 CFAF Brc1nccc2nc(CC3CC3)[nH]c12 587959857 RFBXCUZAVFDXMB-UHFFFAOYSA-N 252.115 2.673 0 1 CFAF Fc1cnc2[nH]c([C@@H]3COc4ccccc4O3)nc2c1 586917831 GSFXZVOCZJTXAZ-LBPRGKRZSA-N 271.251 2.610 0 1 CFAF COc1cc2c3c(c1)O[C@@H](c1nc(C)c(C)n1C)[C@@H](C2)C3=O 587429300 AWESVEPYQJGGFC-BLLLJJGKSA-N 298.342 2.534 0 1 CFAF COc1cc2nc(C3CCC(N)CC3)[nH]c2cc1C 587257106 ZLWJBJNQFXODKK-UHFFFAOYSA-N 259.353 2.865 0 1 CFAF COc1cc(/C(=C/Cl)COC(C)=O)c(O)cc1C 13386339 KOIBCYNJHMILKK-UXBLZVDNSA-N 270.712 2.852 0 1 CFAF COc1ccc2c(c1)C(=O)[C@@H](O)[C@@H](/C=C/c1ccccc1)O2 13776560 ZUVYPUCXQZJIJC-MQZONAICSA-N 296.322 2.713 0 1 CFAF COc1ccc([C@@H]2CC(=O)Oc3ccc(O)cc32)cc1 13814166 IKKHOQDXLZEWNW-ZDUSSCGKSA-N 270.284 2.842 0 1 CFAF Cc1ccc(-c2no[n+]([O-])c2CN2CCC(C)CC2)cc1 1857756067 CFDWIOLAIDWTMS-UHFFFAOYSA-N 287.363 2.515 0 1 CFAF CCCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3 3960342 OPZQTOCCEFLGEN-ZDUSSCGKSA-N 273.376 2.958 0 1 CFAF CCOC(=O)c1cn(C)c(=S)n2c1nc1ccccc12 1862312 DOIOJXMAZVGICV-UHFFFAOYSA-N 287.344 2.732 0 1 CFAF CCCN1CCO[C@@H](c2ccc(Cl)c(O)c2)C1 28957405 ODPCIOYTCBXSOI-CYBMUJFWSA-N 255.745 2.829 0 1 CFAF NC(=O)n1ccc2ccc(-c3ccccc3F)nc21 103236241 JIKXFJGJOUMXHF-UHFFFAOYSA-N 255.252 2.769 0 1 CFAF CCCc1cc2c(cc1O)O[C@H](C)[C@H](n1ccnc1)C2=O 27331247 FEKOZEVFHOOMHA-BMIGLBTASA-N 286.331 2.746 0 1 CFAF C[C@H](O)C[C@H]1CCC[C@H](CC(=O)c2ccccc2)N1C 2356658271 MMIDMSZRVRHQIJ-NUEKZKHPSA-N 275.392 2.883 0 1 CFAF O=C(Nc1cc[nH]n1)c1ccc(COCC(F)(F)F)cc1 66457146 FDZDIEFYEXRRLH-UHFFFAOYSA-N 299.252 2.741 0 1 CFAF CO[C@@H](C=C[C@@H](C)C1CCC(C)(NC=O)CC1)C(C)(C)O 2356802170 RXOQPKMUWPJMLI-GJEMEMOUSA-N 297.439 2.660 0 1 CFAF c1nc(NC2CC2)c2ncn(CC3CCCC3)c2n1 26950469 YANUACLYWAZCOH-UHFFFAOYSA-N 257.341 2.591 0 1 CFAF CCN(C)[C@H]1CCN(c2ccc(-c3ccccc3)nn2)C1 45368331 KAFIPYYSYKUDKA-HNNXBMFYSA-N 282.391 2.674 0 1 CFAF COc1ccc(N(C)c2nc(C)nc3nccnc23)cc1 49070040 KPAORMQHSJXXIK-UHFFFAOYSA-N 281.319 2.505 0 1 CFAF Cc1cc(Cl)cc(C)c1NC(=O)[C@H](N)C(C)C 40584688 OAKGNSAYGOTIJG-LLVKDONJSA-N 254.761 2.879 0 1 CFAF CCCNC(=O)CCCCc1ccc2c(c1)OCO2 84635383 BFZBWOAXKFBPAD-UHFFFAOYSA-N 263.337 2.654 0 1 CFAF Oc1ccc(-c2nc3cnc(Cl)[nH]c-3n2)c(Cl)c1 587055785 XOBKAWLKHMGLEK-UHFFFAOYSA-N 281.102 2.984 0 1 CFAF CCOc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587559263 HNRPNBJDVAHDBK-UHFFFAOYSA-N 283.287 2.502 0 1 CFAF Clc1c[nH]c2nc(-c3cnc(Cl)s3)nc-2n1 587023285 MNCJTRYHFVQTQR-UHFFFAOYSA-N 272.120 2.735 0 1 CFAF O=C(O)/C=C/C=C\c1nc2c(Cl)nc(Cl)cc2[nH]1 587968123 KYHLZQHAWGJUNT-HSFFGMMNSA-N 284.102 2.919 0 1 CFAF N=C(N)c1ccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2c1 587090045 LAGNUJZMTHAGGK-SECBINFHSA-N 294.639 2.770 0 1 CFAF COC(C)(OC)[C@@H]1NCCc2c1sc(C)c2C 963007278 HUFYOSGMCXZGIE-GFCCVEGCSA-N 255.383 2.561 0 1 CFAF CCc1ccccc1[C@@H]1c2nn(C)cc2CCN1C 963956598 YXTBIMPNHRQDAQ-MRXNPFEDSA-N 255.365 2.560 0 1 CFAF CN1[C@H]2CC[C@@H]1CC(NC(=O)c1cnc3ccccc3c1)C2 13825915 PLCJINYGNDJAOB-MQVJKMGUSA-N 295.386 2.590 0 1 CFAF CC(=C/[C@H](C)C(=O)c1ccc(N(C)C)cc1)/C=C/C(N)=O 207736174 PCIMEOIYJHGTNG-WKUOVMIZSA-N 286.375 2.559 0 1 CFAF C[C@@]12CC3CC(NCCCCNC(=N)N)(C1)C[C@](C)(C3)C2 1857536358 QCFJQZFAXLDYSC-JOHJCKIYSA-N 292.471 2.588 0 1 CFAF COc1ccc(Nc2nnc(C3CCN(C)CC3)o2)cc1 1857652078 WJWYUTOVHLEWKT-UHFFFAOYSA-N 288.351 2.631 0 1 CFAF COc1cccc(-n2c(O)c3ncnc-3c3cccnc32)c1 100924310 RJYSKHNBFCOBTI-UHFFFAOYSA-N 292.298 2.635 0 1 CFAF COc1ccc(SC)c2c1C[C@@H]1[C@H](C2)O[C@H](C)CN1C 27549842 AIHRHPNPPYSHMX-YVLXSGLVSA-N 293.432 2.603 0 1 CFAF COC(=O)[C@]12CC[C@H](C)[C@]1(C)Cc1occc1C2=O 2356548886 IRBVJXQACAWUON-ULKVUYOBSA-N 262.305 2.614 0 1 CFAF CC1=C[C@@H]2[C@@H](CC1)C(C(=O)O)=CC[C@H]2C(C)(C)O 2356549558 GOAYTHWKOQUNGK-CYZMBNFOSA-N 250.338 2.761 0 1 CFAF O=c1cc([C@H]2CCN[C@@H](CC3CCCCC3)C2)o[nH]1 114156886 RFXLXOCXGKCDLJ-STQMWFEESA-N 264.369 2.774 0 1 CFAF CCCC(=O)c1ccc(OC)c(O[C@@H]2CCOC2)c1 40847854 JCXIGXAORCJRAX-GFCCVEGCSA-N 264.321 2.846 0 1 CFAF Cc1ccc(C(=O)N[C@H]2CCCCN(C(C)C)C2=O)cc1 199719429 WDKGFMBEVYWIHV-HNNXBMFYSA-N 288.391 2.514 0 3 CFAF Cc1ncsc1[C@@H](OCCOCCO)c1ccccc1 95552276 IILFEAUTKSFWHH-AWEZNQCLSA-N 293.388 2.566 0 1 CFAF COC(=O)[C@@]12CC[C@@H](C)[C@]1(C)Cc1occc1C2=O 238732188 IRBVJXQACAWUON-NKZPBKNFSA-N 262.305 2.614 0 1 CFAF CCOC(=O)CC(=O)c1nccc2c1[nH]c1ccccc12 473083140 ATIYFCJHZMVBHR-UHFFFAOYSA-N 282.299 2.852 0 1 CFAF O=C1O/C(=C\c2nc3cccc(O)c3[nH]2)c2ccccc21 586906604 OMBMWGOGQAQPQK-JYRVWZFOSA-N 278.267 2.937 0 1 CFAF COc1cccc(-c2nc3cccc(O)c3[nH]2)c1O 587787493 VADGOPHXLKGSIB-UHFFFAOYSA-N 256.261 2.650 0 1 CFAF OCc1ccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2c1 587089925 JFKWVHXVOASQBH-VIFPVBQESA-N 282.624 2.979 0 1 CFAF Nc1ccnc2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc12 586885364 BHSMJTHQIKEKJN-PXAZEXFGSA-N 276.343 2.912 0 1 CFAF CCc1nccnc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587394448 VAOAUZDLIQTKPZ-QGZVFWFLSA-N 297.358 2.810 0 1 CFAF COc1cncc2nc(-c3cc4cc(N)ccc4o3)[nH]c12 587252996 XBAZUGHTLKSJBH-UHFFFAOYSA-N 280.287 2.962 0 1 CFAF COC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521889 FGOMVIYGNRBOHW-KRWDZBQOSA-N 288.343 2.852 0 1 CFAF COc1ccc(-c2nc3ccc(CO)cc3[nH]2)c(Cl)n1 587083824 NWLWBGQGEHARJZ-UHFFFAOYSA-N 289.722 2.779 0 1 CFAF CCOC(=O)[C@@H](C)[C@]1(C)NCCc2cc(Cl)ccc21 963390897 OHOBGKKTJVEXLE-BMIGLBTASA-N 281.783 2.900 0 1 CFAF CN(Cc1cccc(-c2cccc(Cl)c2)c1)C(=O)CN 1772592500 JKLAXYAZJFQJRG-UHFFFAOYSA-N 288.778 2.924 0 1 CFAF O=C1O/C(=C/Br)C[C@@H]1c1ccccc1 13580397 CSSUBLBHWCCATP-TTZKWOQHSA-N 253.095 2.953 0 1 CFAF Cc1cnc2ccccc2c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 13861034 RWIQWCMSTPPPNQ-AMRKSYTLSA-N 283.327 2.623 0 1 CFAF O=C(Nc1ccccc1O)c1coc2ccccc2c1=O 1857613229 JKJGNVOPSHCJNW-UHFFFAOYSA-N 281.267 2.751 0 1 CFAF