smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCc1ccc(-c2ccc(C)cc2)cc1 77922708 ISOOIHCAKZTFBS-UHFFFAOYSA-N 196.293 4.224 0 10 AIAE CCCCC[C@@H](CCCC)NC(C)C 86315587 CQZVMINGHFTSCD-CYBMUJFWSA-N 199.382 4.124 0 10 AIAE Cc1cc(-c2ccccc2)cc(C)c1C 138817173 BCZOYXIARMLXSN-UHFFFAOYSA-N 196.293 4.279 0 10 AIAE CCC[C@H](C)c1c[nH]c2ccccc12 198889344 PIMBINLIGNOFBU-JTQLQIEISA-N 187.286 4.072 0 10 AIAE CCc1csc2c(C)c(C)ccc12 306556105 MJLUIERRXUZZLB-UHFFFAOYSA-N 190.311 4.081 0 10 AIAE CC=CCC(=O)CC[C@@H](C)CCCC 1887910965 TZBVPCPHPFJPSV-LBPRGKRZSA-N 196.334 4.128 0 10 AIAE C=CC=CCCC1[C@H]2CCCCC[C@H]12 1956587936 DELASMZGJJBSTD-ZIAGYGMSSA-N 190.330 4.335 0 10 AIAE CC(C)[C@@H](C)CC1=CCCCC1 2241441413 SPZCTNXURXYRAD-NSHDSACASA-N 166.308 4.169 0 10 AIAE CCCCCCc1cscc1C 205037327 ACOKJXLXCHAZKA-UHFFFAOYSA-N 182.332 4.179 0 10 AIAE Cc1ccc2c(Cl)c(C)sc2c1 307303026 FOQOMMDNZWRRCA-UHFFFAOYSA-N 196.702 4.172 0 10 AIAE CCC(C)(C)CC(=O)C(C)(C)C(C)C 1930193453 FCSYJCSXLICUJI-UHFFFAOYSA-N 198.350 4.064 0 10 AIAE C=CC=CCCC[C@@H]1CC[C@@H](F)C1 1930628490 AFPDBYDYZORQBB-VXGBXAGGSA-N 182.282 4.037 0 10 AIAE CC(C)c1ccccc1C1=CC=C=C[CH-]1 575191210 QEJHNUIONJFEDY-UHFFFAOYSA-N 195.285 4.123 0 10 AIAE CCCCCS[C@@H]1CC[C@@H](C)C1 1459019892 YHASMGNVOHWMAP-GHMZBOCLSA-N 186.364 4.098 0 10 AIAE C/C=C/CCCC[C@H]1CC[C@@H](F)C1 1882214469 NMAOKCGPDUGRPZ-LMZQTDFCSA-N 184.298 4.261 0 10 AIAE C[C@@H]1[C@H](C[C@@H]2C=CCCC2)CC1(C)C 1889398145 BGJAUKYSHUYLMR-JHJVBQTASA-N 192.346 4.415 0 10 AIAE C1=C[C@H](C[C@@H]2[C@H]3CCCC[C@H]32)CCC1 1932606159 DDJLFHMSIXVGKY-IGQOVBAYSA-N 190.330 4.169 0 10 AIAE CCCCC[C@H](N)C(CC)(CC)CC 1933744836 OLXMTRSWQXNULN-LBPRGKRZSA-N 199.382 4.110 0 10 AIAE C=CC=CCCCC[C@H](C)C(F)F 1954334330 ULUYXABETJAOHA-JTQLQIEISA-N 188.261 4.190 0 10 AIAE CCC[C@H](CC)C(=O)[C@H](C)[C@@H](C)CC 2242042149 ONHPTAMJBQWMOO-TUAOUCFPSA-N 198.350 4.064 0 10 AIAE Clc1cccc(-c2cccs2)c1 16947495 QOYCSQBDTFMQSG-UHFFFAOYSA-N 194.686 4.069 0 10 AIAE CC(C)c1cc(Cl)ccc1Cl 78062242 AUEXDQNETNFJPI-UHFFFAOYSA-N 189.085 4.117 0 10 AIAE C/C=C/CCCCCCC(F)(F)F 148268106 POVIRURWZUCFMH-NSCUHMNNSA-N 194.240 4.465 0 10 AIAE CCC(CC)c1cc(C)ccc1C 199133922 BSFOTYRQTDPHOF-UHFFFAOYSA-N 176.303 4.207 0 10 AIAE CCC[C@@H](C)C(=O)CCCC(C)(C)C 300928156 UQVBNPJCWFTYIH-LLVKDONJSA-N 198.350 4.208 0 10 AIAE CCC[C@@H](C)CC=C(C)CC 1888061592 WJDSWJZRMLVRJR-LLVKDONJSA-N 154.297 4.169 0 10 AIAE CCCCC[C@@](N)(CC)[C@H](C)CCC 1890778390 CLKWRWAOIXPALV-OLZOCXBDSA-N 199.382 4.110 0 10 AIAE CC(C)=C(C)CCc1cscc1C 1932992801 QSWRUFOOSBVAEI-UHFFFAOYSA-N 194.343 4.345 0 10 AIAE C[C@H]1CC[C@@H](CC2=CCCCC2)C1 2241439798 DYOGZYHVDGATAM-WCQYABFASA-N 178.319 4.313 0 10 AIAE CC(C)c1c(Cl)cccc1Cl 75838918 DIEDNWZQIIEMKF-UHFFFAOYSA-N 189.085 4.117 0 10 AIAE CCCC[C@H](CC)C[C@H](C)CC(C)=O 82807151 NNONAAULTLJHJL-YPMHNXCESA-N 198.350 4.208 0 10 AIAE C/C=C/CCC[C@H]1CCC[C@H]1C 202561542 UWKZKPIVUZPTSK-LXYZTQFVSA-N 166.308 4.169 0 10 AIAE CC(C)c1ccc(C/C=C/Cl)cc1 306709523 UVCYKTRKGXOPMT-YCRREMRBSA-N 194.705 4.105 0 10 AIAE CCCCCCC(=O)C[C@@H](C)C(C)C 1887931541 WFSGLFCVLWATEG-GFCCVEGCSA-N 198.350 4.208 0 10 AIAE C1=CCC(c2cccc(C3CCC3)c2)C1 1962073011 PGAGVCBGLLEJID-UHFFFAOYSA-N 198.309 4.388 0 10 AIAE CCCC(Cl)(CCC)CCC 101225442 XTWYDWUSMYSOLX-UHFFFAOYSA-N 176.731 4.364 0 10 AIAE C/C=C/CCC[C@@H]1CCC[C@H]1C 202561509 UWKZKPIVUZPTSK-BLDJZWNYSA-N 166.308 4.169 0 10 AIAE Cl/C=C1/CCC2=C(CCCC2)C1 238539578 YUHDATJOTADPJO-HJWRWDBZSA-N 182.694 4.164 0 10 AIAE C=C/C=C\CCCc1ccccc1C 713727993 YFWZWVGLQVCZNE-PLNGDYQASA-N 186.298 4.060 0 10 AIAE CC/C=C/CCSC[C@@H](C)CC 1613627127 GGWJKHWBLQSYHM-MLRMMBSGSA-N 186.364 4.122 0 10 AIAE C/C=C/CCC[C@H]1C[C@H]2CC[C@H]1C2 1882215246 XNEUNMODUCTGDJ-HZZZHAEWSA-N 178.319 4.169 0 10 AIAE CC(C)CCCC(=O)C[C@@H](C)C(C)C 1887921144 IOKGQNDCRJSCSJ-GFCCVEGCSA-N 198.350 4.064 0 10 AIAE C1=C[C@H](C[C@H]2C[C@@H]2c2ccccc2)CC1 1932591558 ADVRSOQMLFIHLL-AEGPPILISA-N 198.309 4.146 0 10 AIAE CCCC[C@H](C)c1ccncc1Cl 308117432 ACNWUXWGNZEONV-VIFPVBQESA-N 197.709 4.029 0 10 AIAE CCCC[C@H](C)C(=O)[C@@H](C)CC(C)C 308463175 GZIPYNSEUFSPLO-RYUDHWBXSA-N 198.350 4.064 0 10 AIAE C=C/C=C\CC[C@@H]1CCC[C@@H](C)C1 713723941 INYGUDIOCNQMIN-DIABFLQPSA-N 178.319 4.335 0 10 AIAE CCCCCC(=O)CCC(C)=C(C)C 718697254 IVPHDILNQRMSPX-UHFFFAOYSA-N 196.334 4.272 0 10 AIAE CCCCCCc1csc(CC)c1 1889470258 NFNLPTZBQAJRMI-UHFFFAOYSA-N 196.359 4.433 0 10 AIAE c1cc2c(s1)sc1cscc12 167372220 APYKAFBXVZTXHC-UHFFFAOYSA-N 196.321 4.178 0 10 AIAE CCCCCC[C@@H](O)CC(C)=C(C)C 238209955 OWNATYHMUVNUAH-CYBMUJFWSA-N 198.350 4.064 0 10 AIAE CCCCC/C=C/CCCC[C@@H](C)O 238235454 MBFBTEMPCHZDNZ-SBDDDAINSA-N 198.350 4.064 0 10 AIAE CCc1c(C)cc2sccc2c1C 306758949 UVYGNEOLHNAKOO-UHFFFAOYSA-N 190.311 4.081 0 10 AIAE CCC[C@@H](CC)Nc1csc(C)c1 710729173 NZRCSFYVIIVYFQ-SNVBAGLBSA-N 197.347 4.047 0 10 AIAE C1CC(CCSCC2CCCC2)C1 1307408927 GVMMBTIIGACEHJ-UHFFFAOYSA-N 198.375 4.100 0 10 AIAE CC=CC[C@@H](C)CCC(C)C 1888077501 BIDPVYLOKBPKJV-LLVKDONJSA-N 154.297 4.025 0 10 AIAE CCCCCC[C@](C)(N)[C@H](C)CCC 1920202923 MNVBBHMBSXLUJT-OLZOCXBDSA-N 199.382 4.110 0 10 AIAE CC1CCC(C[C@H]2C=CCC2)CC1 1932591618 AYBQJHWCBUBPOO-CPCZMJQVSA-N 178.319 4.169 0 10 AIAE CCCC[C@H](C)O[C@@H](C)CCCC 39224664 ISHWBOYFJXKDGB-RYUDHWBXSA-N 186.339 4.160 0 10 AIAE CC[C@@H]1CCCC[C@]1(C)CC 141030835 NTKDFMIXGROQBC-MNOVXSKESA-N 154.297 4.003 0 10 AIAE Cc1ccsc1CC1=CCCCC1 2241441649 UMMQWMTXOFDRES-UHFFFAOYSA-N 192.327 4.099 0 10 AIAE C[C@@H]1CCCC[C@H]1/C(Cl)=C/Cl 95749554 YNDYZRQTHDKNTA-UYBBYJHHSA-N 193.117 4.132 0 10 AIAE Cc1ccc2c(Cl)csc2c1C 307307866 VXCKOKNHVQZVME-UHFFFAOYSA-N 196.702 4.172 0 10 AIAE CCC(C)=CCc1c(C)csc1C 1888065507 GBRZGOMUYMTRQS-UHFFFAOYSA-N 194.343 4.264 0 10 AIAE CCC[C@@H](CC)C(=O)CC=C(C)CC 1888078602 RNBAWEALOLGGRY-GFCCVEGCSA-N 196.334 4.128 0 10 AIAE C=CC=CCCC[C@H]1CCC[C@@H]1C 1930299581 PFRQQWADAPWTJI-STQMWFEESA-N 178.319 4.335 0 10 AIAE FC(F)(F)CCC[C@H]1C=CCCC1 1932600994 INZNWKCJGKXNHE-VIFPVBQESA-N 192.224 4.075 0 10 AIAE C/C=C\[C@@H](C)Cc1cccc(Cl)c1 107498649 XRGJAGXYSJAHGY-TZGMSPROSA-N 194.705 4.095 0 10 AIAE CC(C)[C@H](CCC#N)C1CCCCC1 167081875 LQDNFYKZBVWLPK-ZDUSSCGKSA-N 193.334 4.143 0 10 AIAE C[C@H]1CCC[C@H](CC2CC=CC2)C1 692073328 MCDVGCISMZYZOK-AAEUAGOBSA-N 178.319 4.169 0 10 AIAE C1=C[C@@H](SCC2CCCC2)CCC1 1190256738 IMSJSTJYIYHVIT-GFCCVEGCSA-N 196.359 4.019 0 10 AIAE C[C@@H]1CCCC[C@H]1CSC1CCC1 1652848535 BRUJAVIZWIGOKA-MNOVXSKESA-N 198.375 4.098 0 10 AIAE CCCCCSc1cccc(C)c1 199325906 WMURPGZHOIMTNA-UHFFFAOYSA-N 194.343 4.277 0 10 AIAE Cc1cc2c(C)csc2cc1Cl 238498649 HPFMRKRCDDXWOE-UHFFFAOYSA-N 196.702 4.172 0 10 AIAE CC(C)CS[C@H](C)c1ccccc1 379399461 HALXWQMDKNIICQ-LLVKDONJSA-N 194.343 4.137 0 10 AIAE Cc1cscc1CCCC(C)C 1889469853 CNYFWPZQECKVSI-UHFFFAOYSA-N 182.332 4.035 0 10 AIAE CC(C)[C@@H](C)C[C@@H]1C=CCCCC1 1925853405 CUXIEFUHGGCZID-QWHCGFSZSA-N 180.335 4.415 0 10 AIAE C[C@@H]1CP(C2CCCCC2)C[C@H]1C 199719719 MJAFFGIHRBLDJJ-GHMZBOCLSA-N 198.290 4.087 0 10 AIAE C=C=CCCC1CC2(C1)CC(C)(C)C2 1886165674 AZJMGTZHSCREBD-UHFFFAOYSA-N 190.330 4.324 0 10 AIAE CCCC[C@H]1CCCC[C@H]1CC 90429080 HQQITQVSGARNMI-NEPJUHHUSA-N 168.324 4.393 0 10 AIAE CC/C=C\C[C@H](C)c1ccsc1 107527655 LQPYKIDWXCLUAF-LWTINBJPSA-N 180.316 4.208 0 10 AIAE Cc1ccc(-c2cscc2C)cc1 202793925 ORXGQTNMBBCHBA-UHFFFAOYSA-N 188.295 4.032 0 10 AIAE CC(C)CC[C@H](C)C[C@@H]1C=CCC1 1932596388 SGIDVHVOZXTZLQ-QWHCGFSZSA-N 180.335 4.415 0 10 AIAE CC(C)=CCCCCC(=O)C(C)(C)C 118908956 RSMNBMNDZLFVPZ-UHFFFAOYSA-N 196.334 4.128 0 10 AIAE CC(C)C[C@H](C)CC1CC=CC1 700969994 SLEYXTNIPBYZJX-NSHDSACASA-N 166.308 4.025 0 10 AIAE CCCC(CCC)C(=O)C(C)(C)CC 701308004 FJEZIKPGXRZYQM-UHFFFAOYSA-N 198.350 4.208 0 10 AIAE C1=C[C@@H](CCC23CCC(CC2)C3)CC1 1886471800 VZWAEVJYELRHMI-IYXRBSQSSA-N 190.330 4.313 0 10 AIAE C=C=CCCC[C@H](CC)CCC 1893797049 KISLODGVWMSZCP-GFCCVEGCSA-N 166.308 4.324 0 10 AIAE CCC[C@H](CC)C[C@@H](C(C)=O)C(C)C 1893833104 UOPRZGJWRZKDFK-QWHCGFSZSA-N 198.350 4.064 0 10 AIAE Cl/C=C/C=C/c1ccc(Cl)cc1 59497158 ZOJIAXCUGSZKHU-OWEXKTHJSA-N 199.080 4.106 0 10 AIAE CCCCCC(=O)CC1CCCCC1 167981313 VPWGYCAPMMTTNZ-UHFFFAOYSA-N 196.334 4.106 0 10 AIAE CC(C)CC(=O)[C@H](C)CCC(C)(C)C 695046071 PCOWNWWNJLFDJY-LLVKDONJSA-N 198.350 4.064 0 10 AIAE CC(C)=CCCc1ccc(F)c(C)c1 698074427 WOTXZCHANAFVDE-UHFFFAOYSA-N 192.277 4.033 0 10 AIAE CC[C@@H]1CC=C(CC=C(C)C)CC1 1882331164 FLMAEPMDGQVXHE-GFCCVEGCSA-N 178.319 4.479 0 10 AIAE C=C=CCCCCCCC(C)(F)F 1884005632 UQHALIXEXLJIBT-UHFFFAOYSA-N 188.261 4.323 0 10 AIAE CCC(CC)CC1(C)CCC1 1889470782 ZXILRMAWKJKUGB-UHFFFAOYSA-N 154.297 4.003 0 10 AIAE CC(C)CC[C@H](C)CC1CC=CC1 1928723491 GPFUDSDMDSLKDR-LBPRGKRZSA-N 180.335 4.415 0 10 AIAE CC1(C)CC(CC2=CCCCC2)C1 2241440889 PJOXZCPEVUJYIC-UHFFFAOYSA-N 178.319 4.313 0 10 AIAE C=C=CCC[C@@H](C)CCC(C)C 1880855288 KIYHFIIQYWFKHV-GFCCVEGCSA-N 166.308 4.180 0 10 AIAE CC=CCCC[C@H]1[C@H]2CCCC[C@@H]12 1882217000 JZASNFCRKPWEIF-CLLJXQQHSA-N 178.319 4.169 0 10 AIAE CCC(=C(F)F)c1ccc(C)cc1 1927556163 UIDYPCYVHWZNMG-UHFFFAOYSA-N 182.213 4.013 0 10 AIAE C=CC=CCCCCC(F)(F)CC 1932981581 ZXAQZJBVTWCHJU-UHFFFAOYSA-N 188.261 4.334 0 10 AIAE CCc1csc2ccc(Cl)cc12 113225020 PCBVJMFXVRCIPE-UHFFFAOYSA-N 196.702 4.117 0 10 AIAE CCCCCC(=O)C1(C)CCCCC1 232911611 WBXKPDPIRFJBND-UHFFFAOYSA-N 196.334 4.106 0 10 AIAE CCC[C@H](C)C(=O)C[C@@H](C)C(C)(C)C 233322992 ZEZGVSLVCKMPSY-WDEREUQCSA-N 198.350 4.064 0 10 AIAE CCC[C@H](F)c1ccc(C)cc1C 260589793 QPRAUXFABDFISB-LBPRGKRZSA-N 180.266 4.114 0 10 AIAE C/C(=C\Cl)Sc1ccc(C)cc1 383518479 UPGBZDUDYYGTMQ-VQHVLOKHSA-N 198.718 4.187 0 10 AIAE C[C@H]1CC=C(C[C@H]2C=CCCC2)CC1 1885620128 ZGBJVAMUAYLNHO-STQMWFEESA-N 190.330 4.479 0 10 AIAE CC[C@H]1[C@@H](CC2CC(=C3CC3)C2)[C@@H]1C 1885761081 HWMDASJRDPEMAB-FZQKWOKYSA-N 190.330 4.169 0 10 AIAE Cc1sccc1C1=CC[C@@H](C)CC1 1889519310 RGZBFTSSKSYKHS-SECBINFHSA-N 192.327 4.260 0 10 AIAE CCCCC[C@@](N)(CC)CC=C(C)C 1890753091 AOGXXCVBYMPLGQ-ZDUSSCGKSA-N 197.366 4.031 0 10 AIAE CCc1ccccc1C(CC)CC 78413057 LQAYAAPCXSTHSW-UHFFFAOYSA-N 176.303 4.153 0 10 AIAE CC(C)[C@H](C)CC[C@@H](C)C(C)C 80720265 FZCGYGCYZRXLDY-VXGBXAGGSA-N 170.340 4.351 0 10 AIAE CC(C)=CCC[C@H](C)C(C)(C)C 203214872 GZPNZPDRVQZWBC-NSHDSACASA-N 168.324 4.415 0 10 AIAE CCC[C@@H](C)CCC1CC=CC1 692175744 NAJWUMVTQDDOMA-LLVKDONJSA-N 166.308 4.169 0 10 AIAE CC[C@@H](C)C[C@@H](CC)C(=O)CC(C)C 710023787 IRGUCTQRQXEYGU-VXGBXAGGSA-N 198.350 4.064 0 10 AIAE CCC(CC)C(=O)[C@@H](C)CCC(C)C 1928722295 VHZZUQXYIBTBGM-NSHDSACASA-N 198.350 4.064 0 10 AIAE C1=C[C@@H](Cc2ccc(C3CC3)cc2)CC1 1932592329 HRLLGYMYDRYNGJ-GFCCVEGCSA-N 198.309 4.073 0 10 AIAE C[C@H]1CC[C@@H](n2ccc3ccccc32)C1 1934198925 MLUUXYSDPLAVEY-WCQYABFASA-N 199.297 4.002 0 10 AIAE Cc1cc(Cl)c(C)c2sccc12 306909241 HBAOWAIOJDJHJP-UHFFFAOYSA-N 196.702 4.172 0 10 AIAE CC(C)=CCc1sccc1C1CC1 1954024148 FZOMMIWRHUVKKQ-UHFFFAOYSA-N 192.327 4.134 0 10 AIAE C1=C(CC2[C@H]3CCCCC[C@H]23)CCC1 1956588012 DWEDOPBMAUKYJS-STQMWFEESA-N 190.330 4.313 0 10 AIAE CC(C)CCCC1CC(C)(C)C1 1892621926 ZADNVESKAIJHTI-UHFFFAOYSA-N 168.324 4.249 0 10 AIAE C[C@H]1C(C[C@H]2C=CCCCC2)[C@@H]1C 1925818165 YHCYTWGVLLEOSA-UTUOFQBUSA-N 178.319 4.025 0 10 AIAE CCCC[C@H]1CCCCCCCC1=O 1956654696 FHJRAOYEWKLGAA-LBPRGKRZSA-N 196.334 4.106 0 10 AIAE CCC/C=C(/C)[C@@H](O)CCCCCC 379526045 PTWVRVSZVAPVMA-UKVQZPPCSA-N 198.350 4.064 0 10 AIAE C/C=C/CCC[C@H]1CCCC[C@H]1F 1882216812 JCNAUIFMIZLRTC-LMZQTDFCSA-N 184.298 4.261 0 10 AIAE Cc1ccc2ccc(C(F)F)cc2c1 59022569 YVBKJASTNAAVMF-UHFFFAOYSA-N 192.208 4.086 0 10 AIAE CC[C@H](C)CCC1CCCCC1 79598039 XYKJVHTUQQONLW-NSHDSACASA-N 168.324 4.393 0 10 AIAE C/C=C/C(=C\Cl)CCCCC 220695875 XKKTVMZGHMRCQN-OXSFDCBASA-N 172.699 4.266 0 10 AIAE CCc1ccc(Cl)c(C(C)(C)C)c1 822255408 KADHPOKJUKWZHO-UHFFFAOYSA-N 196.721 4.200 0 10 AIAE C[C@@H]1CC=C(CC2=CCCC2)CC1 1882320059 UYVWZBQJDJZIEZ-LLVKDONJSA-N 176.303 4.233 0 10 AIAE CCCC[C@H](CC)Cn1ccc(C)c1 2209704600 DCZAGZZHHALBPQ-ZDUSSCGKSA-N 193.334 4.013 0 10 AIAE Cl/C=C(Cl)/C=C\c1ccccc1 221701824 KWHNDSWWVBTCHW-INZNQPOWSA-N 199.080 4.019 0 10 AIAE CCCC[C@H](C)C(=O)[C@H](C)[C@H](C)CC 319653527 DRGQVFLMMKUGJK-GRYCIOLGSA-N 198.350 4.064 0 10 AIAE CC(C)=CCCCCC[C@H]1CCCO1 698071038 BHHOVXYKSPNTKC-ZDUSSCGKSA-N 196.334 4.082 0 10 AIAE CCC(C)=CC[C@H](C)[C@@H](C)CC 1887862783 REVLXYFFEKZHHE-RYUDHWBXSA-N 168.324 4.415 0 10 AIAE C1=C[C@@H](CC2CCCC2)CCCC1 1925877309 OCUNXAJPUZDPAP-GFCCVEGCSA-N 178.319 4.313 0 10 AIAE CC[C@@H]1[C@H](C)[C@H]1CC1=CCCCC1 2241440557 NRJRHZRYPLAVRZ-CYZMBNFOSA-N 178.319 4.169 0 10 AIAE Cc1ccc(C2CCCCC2)cc1C 75841147 RIFYDCDZQDTMDB-UHFFFAOYSA-N 188.314 4.351 0 10 AIAE CC/C=C\C[C@H](C)c1ccccc1 107611042 KCWNHVWBZXEUQG-RNZFLTOJSA-N 174.287 4.146 0 10 AIAE CC(C)C[C@@H](C)C(=O)CCC(C)(C)C 308449967 CBFMGKHVFGLYQH-LLVKDONJSA-N 198.350 4.064 0 10 AIAE CC(C)C(=O)CCC[C@@H](C)C(C)(C)C 711143024 AVXYUMPCVPHLIZ-LLVKDONJSA-N 198.350 4.064 0 10 AIAE CC(C)=C(C)CCc1cccc(F)c1 718749553 SERIUCRCSBWPKI-UHFFFAOYSA-N 192.277 4.115 0 10 AIAE CCCC[C@H](CCC)n1ccc(C)c1 2209707027 XBSSAHBVSAMFNC-ZDUSSCGKSA-N 193.334 4.328 0 10 AIAE c1ccc2c(c1)N=Nc1ccccc1N2 84727976 AFIAIZRWRWKHRC-UHFFFAOYSA-N 195.225 4.159 0 10 AIAE C/C=C/CCCC[C@@H](C)C(C)C 145540293 NWHLFBYYINKJMY-BTDICHCPSA-N 168.324 4.415 0 10 AIAE N#CCC1CCCCCCCCCC1 146244653 CALHIUMXRAPJOA-UHFFFAOYSA-N 193.334 4.431 0 10 AIAE CCc1ccc2sc(CC)cc2c1 146370596 IHVTWVHVRNSZGS-UHFFFAOYSA-N 190.311 4.026 0 10 AIAE CC(C)=CCCc1ccc(C)cc1F 197246905 HPVKIXWOBBHHJG-UHFFFAOYSA-N 192.277 4.033 0 10 AIAE C1=CCC(C[C@@H]2C[C@H]2c2ccccc2)C1 692089862 XBTNROGSXXLHKT-CABCVRRESA-N 198.309 4.146 0 10 AIAE CC[C@H](C)CC(=O)CCC(C)(C)CC 696632068 HDYMNHPHBSDZNY-NSHDSACASA-N 198.350 4.208 0 10 AIAE C1=CCC(C[C@@H]2CC3CCC2CC3)C1 1957143626 FUSTXKUYYWOBDY-JXQTWKCFSA-N 190.330 4.169 0 10 AIAE Clc1ccc(-c2ccsc2)cc1 4299222 XDMXWUPNEMBRAR-UHFFFAOYSA-N 194.686 4.069 0 10 AIAE Cc1ccc2c(c1)oc1cc(C)ccc12 39260076 VFCRTEVRAODBLT-UHFFFAOYSA-N 196.249 4.203 0 10 AIAE CCCCC(=O)C[C@@H](CC)CCCC 59751808 SDUZIYGHJZNCNQ-LBPRGKRZSA-N 198.350 4.352 0 10 AIAE C/C=C\[C@H](C)Cc1ccc(C)cc1C 107530597 FSOFEENERNPZMS-GZTOBOFZSA-N 188.314 4.058 0 10 AIAE CC(C)(C)C1CC(C[C@@H]2C=CCC2)C1 1956474383 TVKORFIWYLXLEV-PNESKVBLSA-N 192.346 4.415 0 10 AIAE C/C=C/CCCc1c(C)cccc1C 2209927118 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FCPOFYHRHYJUTM-UHFFFAOYSA-N 194.324 4.093 0 10 AIAE Cc1sc2c(C)cccc2c1Cl 307502415 VQXOGDGOAFAOFF-UHFFFAOYSA-N 196.702 4.172 0 10 AIAE CCCNC(CCC)(CCC)CCC 1845392 UGHQYLQBDBBNGS-UHFFFAOYSA-N 199.382 4.125 0 10 AIAE CCCCCCC1CCCC1 80480460 LKHGKBBAJAFMSQ-UHFFFAOYSA-N 154.297 4.147 0 10 AIAE biogenic,in-vitro C=CC[C@H](C)C[C@H](C)c1ccccc1 149641022 QTJXHCXYKKHJTM-STQMWFEESA-N 188.314 4.392 0 10 AIAE CCCC/C=C/C[C@H](O)CCCCC 238215543 FZCYLTSQRZJZTQ-AORWBKJGSA-N 198.350 4.064 0 10 AIAE C[C@@H]1CC[C@H](C(C)(C)Cl)C[C@H]1C 725261456 PWLLGSOLVKGFCB-BBBLOLIVSA-N 188.742 4.076 0 10 AIAE CC=CCCCCCC(F)(F)F 1880806827 YWSMJZHHPIICGX-UHFFFAOYSA-N 180.213 4.075 0 10 AIAE CC1(C)CC[C@H]1CC1CC(=C2CC2)C1 1885761376 LQJJANWMIHCBEF-ZDUSSCGKSA-N 190.330 4.313 0 10 AIAE C=CC=CCCCC1CCC(F)CC1 1930107780 WREZPBWAELDZOX-UHFFFAOYSA-N 196.309 4.427 0 10 AIAE C1=C[C@H](CC2[C@H]3CCCCC[C@H]23)CC1 1956587865 CESMIIOCERWOKB-AVGNSLFASA-N 190.330 4.169 0 10 AIAE Clc1ccc2c(Cl)cccc2c1 1852599 CEDZMDSZTVUPSP-UHFFFAOYSA-N 197.064 4.147 0 10 AIAE in-vitro CC1CCCCCCCCC1 102297956 WFWNFBYXZQJMFM-UHFFFAOYSA-N 154.297 4.147 0 10 AIAE C/C=C/CCCC=Cc1ccccc1 1885350397 HDOFCYZLWOOOPI-FYLOGXATSA-N 186.298 4.446 0 10 AIAE C1=C(CC2CC(C3CC3)C2)CCCC1 2241440920 PTVRQNUCYBBFNB-UHFFFAOYSA-N 190.330 4.313 0 10 AIAE CCCC[C@@H](CC)C(=O)CC(C)(C)C 713294509 ZUUWWFGOXYDEKF-LLVKDONJSA-N 198.350 4.208 0 10 AIAE C/C=C/CCC[C@H](C)CC(C)C 1880804453 BFOSWEQPRVLLGL-FYJFLYSWSA-N 168.324 4.415 0 10 AIAE CC[C@@H](C)C[C@H](C)n1c(C)ccc1C 83865617 XIJQUWVCQRRMHJ-MFKMUULPSA-N 193.334 4.102 0 10 AIAE CC1(C)CCC[C@@H]1C1CCCCC1 140016593 FOFPZJOWGBADIY-GFCCVEGCSA-N 180.335 4.393 0 10 AIAE CCc1cc(C(C)C)ccc1Cl 201639716 RGYREBTXDHFODW-UHFFFAOYSA-N 182.694 4.026 0 10 AIAE Cc1ccc2[nH]c(C3=CCCC3)cc2c1 238491948 QJCAQPNQYBCLTB-UHFFFAOYSA-N 197.281 4.044 0 10 AIAE CC1CC2(C1)CC(CC1=CCCC1)C2 2241378605 VHRUFSJSXODMLY-UHFFFAOYSA-N 190.330 4.313 0 10 AIAE CCCCCC(=O)[C@@H](CC)CC(C)C 199838314 KMMWIUYONVRHBF-LBPRGKRZSA-N 198.350 4.208 0 10 AIAE C[C@H]1CC[C@@H](Sc2cccs2)C1 306172751 BHWDYNVGWVDOLL-DTWKUNHWSA-N 198.356 4.029 0 10 AIAE CCCC[C@H](CC)Nc1ccccc1 68985226 ZKTRIYGKGQPMBU-LBPRGKRZSA-N 191.318 4.067 0 10 AIAE Cc1cccc2c(C(F)F)cccc12 238452363 PIUKFPHYARPLSF-UHFFFAOYSA-N 192.208 4.086 0 10 AIAE CCC/C=C1\CCCC(C)(C)C1 382569047 IZEPCNXKNFCARP-YRNVUSSQSA-N 166.308 4.313 0 10 AIAE OC1=C(O)CCCCCCCCC=C1 396169009 POVMGLWZPYCDSB-UHFFFAOYSA-N 196.290 4.005 0 10 AIAE Cc1cc(CC(C)C)c(C)c(C)c1C 675045700 HKULUNAZOMNAKW-UHFFFAOYSA-N 190.330 4.119 0 10 AIAE CCC[C@@H](C)CC(N)(CCC)CCC 704960441 MQPBVJUCBVEKRV-GFCCVEGCSA-N 199.382 4.110 0 10 AIAE CC(C)=C(C)CCc1csc(C)c1 718736039 ABONKIKCURFFTP-UHFFFAOYSA-N 194.343 4.345 0 10 AIAE CC=CCCCCCC[C@@H]1CCCO1 1885357789 BNAVLHJNYYMMMB-CYBMUJFWSA-N 196.334 4.082 0 10 AIAE CCC(C)=CCCC(F)(F)C(F)F 1887863288 YFKKUPFJBWCOLD-UHFFFAOYSA-N 198.203 4.023 0 10 AIAE Cc1ccsc1-c1ccsc1C 1889517851 HDMFFRJGNVNVGH-UHFFFAOYSA-N 194.324 4.093 0 10 AIAE CCC[C@H](C)C(=O)[C@@H](C)CCC(C)C 1928720888 ILXVCGSWKPJMPZ-RYUDHWBXSA-N 198.350 4.064 0 10 AIAE CC[C@@H]1[C@H](C)[C@@H]1CCC(C)=C(C)C 1930997386 IQDOPOWQBZGQON-XQQFMLRXSA-N 180.335 4.415 0 10 AIAE C(=C1CCCC1)c1c[nH]c2ccccc12 196330509 ZWRPLUIXEDQOMU-UHFFFAOYSA-N 197.281 4.125 0 10 AIAE CCCC[C@@H](C)CC(=O)C[C@@H](C)CC 238251918 ZDUZROQBGXADES-NWDGAFQWSA-N 198.350 4.208 0 10 AIAE Cc1cccc(S[C@H](C)C(C)C)c1 307748531 CBXRUPHFDMHRRB-LLVKDONJSA-N 194.343 4.132 0 10 AIAE C[C@H]1C[C@@H](C)[C@@H]1C[C@H]1C=CCCC1 1888330534 JBVHOLJVSLLZAA-QNWHQSFQSA-N 178.319 4.025 0 10 AIAE CCC(CC)c1ccc(F)c(C)c1 1889470520 UKPQICAXIIKULC-UHFFFAOYSA-N 180.266 4.038 0 10 AIAE C=CC=CCCc1coc2ccccc12 1911778396 NRZJDNJCWDUKOL-UHFFFAOYSA-N 198.265 4.108 0 10 AIAE C=CC=CCCC1CC(C(C)C)C1 1953859442 QFRCBBSEGBQBTE-UHFFFAOYSA-N 178.319 4.191 0 10 AIAE Cc1csc(CC2=CCCCC2)c1 2241441164 RWAOHCGTSGLSEX-UHFFFAOYSA-N 192.327 4.099 0 10 AIAE CC(C)c1cccc(C(C)(C)C)c1F 709857941 XFUFQFYADMDTIB-UHFFFAOYSA-N 194.293 4.247 0 10 AIAE C1CCC(CSCCC2CC2)CC1 1458931472 KONHLPCKDYBSDJ-UHFFFAOYSA-N 198.375 4.100 0 10 AIAE CC(C)=CCCCc1ccsc1 698058563 ACBGPLJGSIUTBF-UHFFFAOYSA-N 180.316 4.037 0 10 AIAE CC=CCc1cccc(C(C)(C)C)c1 1887862120 JCBKXYVUAIQACE-UHFFFAOYSA-N 188.314 4.103 0 10 AIAE CCC(C)=CCC(=O)CC(CC)CC 1888061723 YCEBMHZQVKZKDV-UHFFFAOYSA-N 196.334 4.128 0 10 AIAE CC(C)CCC[C@H]1[C@H]2CCCC[C@H]21 1889470676 XQAVRXBFXPEQPI-CLLJXQQHSA-N 180.335 4.249 0 10 AIAE CC=CCC[C@@H](CC)CCC 1893796365 HVFKOHUZSYLCIC-NSHDSACASA-N 154.297 4.169 0 10 AIAE C1=C[C@H](CC2=CCCC2)CCCC1 1925813920 FTBNHKQTEXDFFA-LBPRGKRZSA-N 176.303 4.233 0 10 AIAE CC1(C)CC[C@H](CC2=CCCC2)C1 1934210476 WJZFCAQCXCNYJE-GFCCVEGCSA-N 178.319 4.313 0 10 AIAE CCCCC(F)(F)CCCC 142142469 AVIAEXWPUZPNKN-UHFFFAOYSA-N 164.239 4.002 0 10 AIAE CC(C)=CC[C@@H]1CCC(C)(C)C1 1953687163 BCGMHBLNCUPGLK-LLVKDONJSA-N 166.308 4.169 0 10 AIAE CCCC[C@@H](CC)CC(=O)C(C)(C)C 43456228 APUIMUGXIPVZGS-LLVKDONJSA-N 198.350 4.208 0 10 AIAE CCCCCC1=CCCCC1 81195075 IOTQTOFPEVQVPG-UHFFFAOYSA-N 152.281 4.067 0 10 AIAE biogenic,in-vitro CC(C)C[C@@H]1C[C@H](C)CC[C@H]1C 104369801 ZYJPKZNMMTYTPA-IJLUTSLNSA-N 168.324 4.105 0 10 AIAE CCCCCC1=CCc2ccccc21 196422051 IAYWFZNROQBSGS-UHFFFAOYSA-N 186.298 4.206 0 10 AIAE in-vitro CC=CCCCCC[C@@H](C)C(F)F 1882216347 FZQKFYTYZYSDIY-SNVBAGLBSA-N 190.277 4.414 0 10 AIAE CCC(C)=CCC[C@H](C)CC 1888061310 RFTYXOOFHNEXJQ-LLVKDONJSA-N 154.297 4.169 0 10 AIAE CCC(CC)c1ccc(C(F)F)o1 1889494153 RCDRULLHPIOXRC-UHFFFAOYSA-N 188.217 4.121 0 10 AIAE CC(=C(F)F)C(C(C)C)C(C)C 1927618154 NOFBSMONOXYBDR-UHFFFAOYSA-N 176.250 4.085 0 10 AIAE CC(C)C[C@H](C)C[C@@H]1C=CCC1 1932593324 RCYVLIHANOWRDK-NWDGAFQWSA-N 166.308 4.025 0 10 AIAE C1=C(c2cc3ccccc3o2)CCC1 117988448 NQHKCIHIVKYRMZ-UHFFFAOYSA-N 184.238 4.000 0 10 AIAE CC1(C)[C@@H]2CCC[C@H]2[C@H]2C[C@H]1C2(C)C 261366528 MBLTYOJBJPBTQH-DDHJBXDOSA-N 192.346 4.105 0 10 AIAE CC/C=C\CCSc1ccccc1 1613259237 CDJPGPUXQSZCLJ-ARJAWSKDSA-N 192.327 4.135 0 10 AIAE CC1(C)CC=C(CC2CC=CC2)CC1 1885638631 IILCEGQQOXZBQH-UHFFFAOYSA-N 190.330 4.479 0 10 AIAE CC[C@@H]1[C@H](C)[C@H]1C[C@@H]1C=CCCCC1 1925814395 KWFOVNPFBPVSCF-REWJHTLYSA-N 192.346 4.415 0 10 AIAE CCCCCCC(C)=C(F)F 1927618432 OXSXTPFUFIBSFQ-UHFFFAOYSA-N 162.223 4.127 0 10 AIAE CC(F)(F)CCCC[C@@H]1C=CCC1 1932591877 DHFQALMXGPCCKD-SNVBAGLBSA-N 188.261 4.168 0 10 AIAE C1=C(CC2CC3(CCC3)C2)CCCC1 2241441474 TZVJGEVQXYJHRB-UHFFFAOYSA-N 190.330 4.457 0 10 AIAE CCCCC[C@@H](C)N[C@H](CC)CCC 50400967 NBQQYMVBSWZEBG-CHWSQXEVSA-N 199.382 4.124 0 10 AIAE CC[C@H](C)C(=O)C[C@H](CC)C(C)(C)C 711163797 UPVLTFUGVQYDRB-QWRGUYRKSA-N 198.350 4.064 0 10 AIAE C1=C[C@H](CC2[C@@H]3CCCC[C@@H]23)CCC1 1932606161 DDJLFHMSIXVGKY-YNEHKIRRSA-N 190.330 4.169 0 10 AIAE CC1(CC2CC=CC2)CCCCC1 1954167241 VWBYMVWBCLMLLB-UHFFFAOYSA-N 178.319 4.313 0 10 AIAE CCCCC(=O)C1(C)CCCCCC1 1956138379 HURMGQFQSPNNLG-UHFFFAOYSA-N 196.334 4.106 0 10 AIAE Cc1ccc2scc(C(C)C)c2c1 821291520 RLZAEAIGLQXKJF-UHFFFAOYSA-N 190.311 4.333 0 10 AIAE CCC(=O)CCCC1CCCCCC1 1888299094 UKQBFZMJVIMDGK-UHFFFAOYSA-N 196.334 4.106 0 10 AIAE FC(F)=C1CCCCc2ccccc21 1927559659 FJVMODPVCBKIGV-UHFFFAOYSA-N 194.224 4.021 0 10 AIAE Fc1cccc(F)c1C1CCCCC1 75841086 AWMGAVCHGOPEAD-UHFFFAOYSA-N 196.240 4.013 0 10 AIAE C=C/C=C/CCc1cccc(Cl)c1 713722271 ASPZVUXQMIRONH-ONEGZZNKSA-N 192.689 4.015 0 10 AIAE CCC(C)=CCc1ccc(C)c(C)c1 1888066427 UODVITYPQNARES-UHFFFAOYSA-N 188.314 4.202 0 10 AIAE CCC[C@H](CC)CC(=O)CCC(C)C 1893777365 UVQXWARNSYZQHR-LBPRGKRZSA-N 198.350 4.208 0 10 AIAE CC(C)(C)[C@H]1CCCC(=C(F)F)C1 2209354310 IFTMELVIAATPKP-VIFPVBQESA-N 188.261 4.373 0 10 AIAE CCC(C)(C)CCCC(C)C 115787143 RUPXAIGHLDMSOL-UHFFFAOYSA-N 156.313 4.249 0 10 AIAE C/C=C/CCCCCc1ccccc1 136678813 VOXXQSBWNFPIKV-NSCUHMNNSA-N 188.314 4.366 0 10 AIAE Cc1cc(CCCC(C)C)ccc1F 148232776 JBCWBVPFUPBYQW-UHFFFAOYSA-N 194.293 4.113 0 10 AIAE CCC(C)(C)[C@H]1CC=C(Cl)CC1 722201110 UWUJSDBFYKDHIS-VIFPVBQESA-N 186.726 4.345 0 10 AIAE C/C=C/CCCc1cc(C)ccc1F 1885374692 VWFVLCSXDNJMRL-ONEGZZNKSA-N 192.277 4.033 0 10 AIAE C=C=CCCC[C@@H]1C[C@@H]2CCC[C@@H]2C1 1886162818 HTLVSRFFWZVAQN-BTTYYORXSA-N 190.330 4.324 0 10 AIAE CC[C@H](C)CC=Cc1ccccc1 2209171332 USMHHKFGWZDBDX-LBPRGKRZSA-N 174.287 4.136 0 10 AIAE C[C@@H]1CCCC(C)(C)C1=C=CCl 196155690 IRXSEJNEHOBWOP-IOJJLOCKSA-N 184.710 4.110 0 10 AIAE CC(C)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 251346950 RIVBBHMGRSGNTJ-XQQFMLRXSA-N 180.335 4.249 0 10 AIAE CCC(C)=CCCc1ccccc1F 1887881616 IUQJGEPLWLVTGF-UHFFFAOYSA-N 192.277 4.115 0 10 AIAE CCC(C)=CC[C@@H]1[C@H]2CCCC[C@H]21 1888061452 UIMZZNFMWZNNQE-ITGUQSILSA-N 178.319 4.169 0 10 AIAE CC(C)C1CC(CC2CC=CC2)C1 1953858854 KRDOPRDNFPNWKY-UHFFFAOYSA-N 178.319 4.025 0 10 AIAE CC(C)=CCCCc1ccccc1C 698070790 AEHFLHDSEPCPHX-UHFFFAOYSA-N 188.314 4.284 0 10 AIAE CCCCCSCCC=C(C)C 1651898826 WAVWUUDJVHQPIA-UHFFFAOYSA-N 186.364 4.266 0 10 AIAE CCC(C)=CCC[C@H]1CC[C@@H](F)C1 1888060368 DPVFESLDMXJWOF-NWDGAFQWSA-N 184.298 4.261 0 10 AIAE CC=CCCC12CCC(CC1)CC2 1888060862 LHWPZGYMJITKQR-UHFFFAOYSA-N 178.319 4.313 0 10 AIAE CC(C)CCCCC[C@@H]1CC1(F)F 1889470525 ULIQPEWCDNDJIX-SNVBAGLBSA-N 190.277 4.248 0 10 AIAE CC[C@@H](C)S[C@H](C)c1ccccc1 38220902 YATQOHAIPHZULB-GHMZBOCLSA-N 194.343 4.279 0 10 AIAE CCCC[C@@H](CC)C[C@@H](CC)C(C)=O 43455620 FVUGARZRMZUMLF-CHWSQXEVSA-N 198.350 4.208 0 10 AIAE CCCCCCC(C#N)(CC)CC 149847291 PGEXKKIQZJCVLL-UHFFFAOYSA-N 181.323 4.287 0 10 AIAE CCCCC/C=C(/CO)CCCCC 167424517 AQWKXQKDHKCCEH-ACCUITESSA-N 198.350 4.066 0 10 AIAE CCCCC/C=C/CCCC[C@H](C)O 238235468 MBFBTEMPCHZDNZ-GWJCSSMESA-N 198.350 4.064 0 10 AIAE C=C/C=C/CCC[C@H](C)CCC 713718810 MHSVYXCBICLMNE-NNNHXZLVSA-N 166.308 4.335 0 10 AIAE CCC(C)(C)CCC(=O)CC=C(C)C 1901186737 YVNOBKUQPAAAJE-UHFFFAOYSA-N 196.334 4.128 0 10 AIAE C1=CCC(CC2[C@H]3CCCCC[C@H]23)C1 1956587746 AXSCQNFLSSKSPN-STQMWFEESA-N 190.330 4.169 0 10 AIAE CCC[C@@H](CC)C(=O)CC(CC)CC 2242047494 SPJFZFPZNJRMOY-GFCCVEGCSA-N 198.350 4.208 0 10 AIAE CCCC/C=C\CCCCC 111342501 NGCRXXLKJAAUQQ-LUAWRHEFSA-N 154.297 4.313 0 10 AIAE C[C@@H]1C(C)(C)[C@H]2CCCC[C@H]2C1(C)C 253485993 TUALLFJCLUYJEN-ZSBIGDGJSA-N 194.362 4.495 0 10 AIAE CC(C)[C@H](F)c1ccc(Cl)cc1 260698453 ZVNKBZHDVQUKCY-JTQLQIEISA-N 186.657 4.007 0 10 AIAE C/C=C/CCC[C@@H]1CCC(F)(F)C1 1882210062 MDTSQAGPVVGYTA-VMZHVLLKSA-N 188.261 4.168 0 10 AIAE CCC(C)(C)CC(=O)C[C@H](C)C(C)C 1887930674 MPOMFPSAOUIYSW-NSHDSACASA-N 198.350 4.064 0 10 AIAE CCCCCCc1cc(C)c(C)s1 1889460760 QLMHKFANOOCUAH-UHFFFAOYSA-N 196.359 4.488 0 10 AIAE C1=C[C@H](CC2=CCCCCC2)CC1 1932591957 FBPQPNRZVLCJTM-ZDUSSCGKSA-N 176.303 4.233 0 10 AIAE CC=CC[C@H]1CCCC[C@@H]1CC 1887863843 GEOLZUVPOKVFGC-RYUDHWBXSA-N 166.308 4.169 0 10 AIAE CCCCC[C@](O)(CC)C(C)=C(C)C 1890755270 NRZWOFKYIMOVRI-CYBMUJFWSA-N 198.350 4.064 0 10 AIAE C[C@@H]1CCC(=C(F)F)c2ccccc21 1927559571 DLQALQWWPOLEAX-MRVPVSSYSA-N 194.224 4.192 0 10 AIAE CCCCC[C@@](C)(N)CC(C)(C)CC 1933795287 XLZDWMFWACTBOO-CYBMUJFWSA-N 199.382 4.110 0 10 AIAE FC(F)=C1CC2(CCCCCC2)C1 1954812834 JULMHUXPKJHETP-UHFFFAOYSA-N 186.245 4.271 0 10 AIAE C=CC=CCCc1cc(C)sc1C 2209302155 LUTRGZWCSDOUIQ-UHFFFAOYSA-N 192.327 4.040 0 10 AIAE CC[C@H](C)Nc1ccc2ccccc2c1 35732561 QYGPPFBXBALWSQ-NSHDSACASA-N 199.297 4.050 0 10 AIAE CCCC[C@@H]1CCC[C@@H](CC)C1 95817840 WVCFUZXBQTYKFK-VXGBXAGGSA-N 168.324 4.393 0 10 AIAE CC(C)(C)CC1=Cc2ccccc2C1 140633572 KHOHTLIZDQITBZ-UHFFFAOYSA-N 186.298 4.062 0 10 AIAE C/C=C/CCCCCCCC[C@H](C)O 212876861 CCLRMHLYPZWZMU-OOPCZODUSA-N 198.350 4.064 0 10 AIAE CC/C=C/CCSCC(C)(C)C 1641125174 YYTJTLRGKFOOED-VOTSOKGWSA-N 186.364 4.122 0 10 AIAE CC(C)[C@@H](C)CC1CC(=C2CC2)C1 1882377263 ZATUVJNCOZUHAV-JTQLQIEISA-N 178.319 4.169 0 10 AIAE CCC(CC)c1ccc(Cl)s1 1889470031 HVZSMCDVQZRUQB-UHFFFAOYSA-N 188.723 4.305 0 10 AIAE CCCC1CCC(=C(F)F)CC1 1927625108 OJWKYZILSRUDMY-UHFFFAOYSA-N 174.234 4.127 0 10 AIAE CC(C)=CCCc1sc(C)cc1C 2209153830 DAMLTUFVBOYASJ-UHFFFAOYSA-N 194.343 4.264 0 10 AIAE C=C=C(CCCC)c1cccc(F)c1 104399795 PNXGHISBPFWGRO-UHFFFAOYSA-N 190.261 4.184 0 10 AIAE CC[C@H](CCCCCC(C)C)C(C)=O 394826768 RSMUVDKEHGPUHE-CYBMUJFWSA-N 198.350 4.208 0 10 AIAE CCC(C)(C)CC(=O)CCC=C(C)C 697859022 KMDPSPRXCUDBDW-UHFFFAOYSA-N 196.334 4.128 0 10 AIAE CC=CCCC(F)(F)c1ccccc1 1888077511 BKVHFCNDHDUGHK-UHFFFAOYSA-N 196.240 4.135 0 10 AIAE CCCCCC[C@H]1C[C@H]1C1CC1 1889481589 VQXWOLSPYDDAPO-RYUDHWBXSA-N 166.308 4.003 0 10 AIAE Cc1sccc1CC1CCCCC1 1889519993 WMJILXGGVGOYBD-UHFFFAOYSA-N 194.343 4.179 0 10 AIAE CCCC/C=C\C1CCCCC1 82048366 BZXPGCFEDHGUBB-TWGQIWQCSA-N 166.308 4.313 0 10 AIAE Cc1ccc(-c2ccsc2C)cc1 164364028 YQLZIKLSZARANA-UHFFFAOYSA-N 188.295 4.032 0 10 AIAE CC(C)c1cc(Cl)c(Cl)s1 202129744 MUSKFHXFOWMRNR-UHFFFAOYSA-N 195.114 4.178 0 10 AIAE CCC(CC)c1ccc2occc2c1 221978267 JZEIVQHHEPSDEM-UHFFFAOYSA-N 188.270 4.336 0 10 AIAE CC(C)C[C@H](C)CCCC(=O)C(C)C 300886203 JJPPXAGLONTEEE-GFCCVEGCSA-N 198.350 4.064 0 10 AIAE CCc1cc(C)cc2scc(C)c12 306915198 UIGXNKNJCVEVPF-UHFFFAOYSA-N 190.311 4.081 0 10 AIAE CCCCC[C@](C)(N)CCC(C)(C)C 704820119 QMMHXPISTUDVJA-ZDUSSCGKSA-N 199.382 4.110 0 10 AIAE C=C/C=C/CCCCC(C)(C)C 713716633 ICPMHMMHGGCYDU-VOTSOKGWSA-N 166.308 4.335 0 10 AIAE C/C=C/C[C@H](C)c1ccc(C)cc1F 714534701 VYYFHISSWJAURM-ZWNMCFTASA-N 192.277 4.204 0 10 AIAE CCCC[C@](N)(CC)CC(C)=C(C)C 1889355415 GPSLIQRILCXQBX-CYBMUJFWSA-N 197.366 4.031 0 10 AIAE C/C=C/CCC[C@@H]1CC(C)(C)[C@H]1C 1889399310 INNBDWXNOOWJNO-CYLBZQBVSA-N 180.335 4.415 0 10 AIAE CCC[C@H](CC)C(=O)[C@@H](C)[C@H](C)CC 2242042151 ONHPTAMJBQWMOO-WOPDTQHZSA-N 198.350 4.064 0 10 AIAE CCC[C@@H](CC(C)C)C(=O)C(C)(C)C 308118237 YLJKTLPTEBCBGY-NSHDSACASA-N 198.350 4.064 0 10 AIAE CCCC[C@@H](C)C1CCCC1 82133016 RKOYTPIPMHFCTD-SNVBAGLBSA-N 154.297 4.003 0 10 AIAE CCCCCC[C@H]1CC[C@H](C)C1 140027540 HWRYHSGAVPPRHI-RYUDHWBXSA-N 168.324 4.393 0 10 AIAE CCCCC[C@H](CCC)NCCCC 238232200 FLMOOVZENYCGTN-ZDUSSCGKSA-N 199.382 4.125 0 10 AIAE CCC[C@@H](F)c1ccc(C)c(C)c1 260571761 PORPSFANMQMIIH-GFCCVEGCSA-N 180.266 4.114 0 10 AIAE C/C=C/CCCc1ccc(CC)s1 1882214493 OBVNDOZGMOWPRP-HWKANZROSA-N 194.343 4.209 0 10 AIAE CC(C)[C@H](C)CC[C@@H]1C=CCCC1 1882942821 WYBTVDWGJHWGBG-CHWSQXEVSA-N 180.335 4.415 0 10 AIAE C/C=C/CCCc1cc(C)cc(F)c1 1885373557 NYENDRQWXQQTSY-ONEGZZNKSA-N 192.277 4.033 0 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10 AIAE CCC(CC)C1CCC(C)CC1 201752249 FSFAVDKEIUVEAJ-UHFFFAOYSA-N 168.324 4.249 0 10 AIAE CCc1c(C)c(C)cc2sccc12 306685120 IQDNFCZWGFYULX-UHFFFAOYSA-N 190.311 4.081 0 10 AIAE C/C=C/CCCC1CC(C(C)C)C1 1882209587 GHOGPCCTLLFCDK-SNAWJCMRSA-N 180.335 4.415 0 10 AIAE CC=C(CC)C[C@@H]1C=CCCCC1 1883706988 LTESSBQLOKUQKK-CYBMUJFWSA-N 178.319 4.479 0 10 AIAE C[C@H]1C[C@H]1CCCC1=CCCCC1 1889693574 OWEXGFZMUVFNRU-WCQYABFASA-N 178.319 4.313 0 10 AIAE CCCCCCC1CC(C)(C)C1 1892620466 LFUXKRYQWYYHPX-UHFFFAOYSA-N 168.324 4.393 0 10 AIAE Cc1cc(Cl)ccc1C1CC=CC1 1954165697 OMXTVCHDNPPGPY-UHFFFAOYSA-N 192.689 4.082 0 10 AIAE Cc1ccn([C@H](C)[C@@H](C)CC(C)C)c1 2209706661 UTVJHMJVRNZTDU-QWHCGFSZSA-N 193.334 4.040 0 10 AIAE CCCC[C@@H](CC)C[C@@H](C)C(=O)CC 82442664 CEUITAVTVSNYDP-VXGBXAGGSA-N 198.350 4.208 0 10 AIAE CCCCCCC1=CCCCC1 111341160 NEFDOOJYBCQHHV-UHFFFAOYSA-N 166.308 4.457 0 10 AIAE biogenic,in-vitro CCCCCCNC(C)(C)CCCC 148040672 MZQJDDPORCMFKX-UHFFFAOYSA-N 199.382 4.125 0 10 AIAE F/C=C1\CCCC[C@H]1c1ccccc1 396154183 UDWVZKIVDXQPDW-XSNHNAGMSA-N 190.261 4.198 0 10 AIAE C=C=CCCC[C@H]1C[C@@H]2CCC[C@@H]2C1 1886162826 HTLVSRFFWZVAQN-ZSOGYDGISA-N 190.330 4.324 0 10 AIAE CC(C)=C(C)CCCc1ccccc1 196377341 SCYLQBYDCWKAIF-UHFFFAOYSA-N 188.314 4.366 0 10 AIAE CC1(C)CCC[C@@]2(C)CCCC=C12 196430198 LCVLLWVRSRWUOM-CYBMUJFWSA-N 178.319 4.313 0 10 AIAE Cc1cc(CC(C)(C)C)cc(C)c1F 1889610468 SUYLCSKVJWPKJF-UHFFFAOYSA-N 194.293 4.031 0 10 AIAE CC=CC[C@@H](C)c1ccc(C)s1 1911849432 HXGWBXPOZBLGOP-SECBINFHSA-N 180.316 4.126 0 10 AIAE FC(F)=C1CC[C@H]2CCCC[C@@H]2C1 1927618938 RQVZCKPIGOPHBY-RKDXNWHRSA-N 186.245 4.127 0 10 AIAE CC/C=C\[C@@H](C)Cc1ccc(C)s1 107543095 HGLNMEWLRGQYAB-WWQCOOJYSA-N 194.343 4.201 0 10 AIAE CC[C@H](C)c1ccc(C(C)(C)C)cc1 111354568 BQOBURPKVKFNKD-NSHDSACASA-N 190.330 4.498 0 10 AIAE CCCCC1=C(C)CC(C)=C1C 139368216 QNXZGAPSMPQSLB-UHFFFAOYSA-N 164.292 4.233 0 10 AIAE CCc1ccc2c(C)csc2c1C 307438824 USFKEAIEKXLCNN-UHFFFAOYSA-N 190.311 4.081 0 10 AIAE CC(C)[C@H](C)[C@@H](C)C[C@H]1C=CCC1 1888938007 RPAPDDBGODFMJT-AVGNSLFASA-N 180.335 4.271 0 10 AIAE C[C@]12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 2059028660 WCACLGXPFTYVEL-DJFZKBRYSA-N 178.319 4.003 0 10 AIAE CCC(C)(C)CC(=O)CC(C)(C)CC 34480759 OOTYQYRKNHGWSD-UHFFFAOYSA-N 198.350 4.208 0 10 AIAE CCc1ccc(Oc2ccccc2)cc1 113249260 IJFKMDGUJFRFLC-UHFFFAOYSA-N 198.265 4.041 0 10 AIAE CCC[C@@H](C)C(=O)C[C@@H](C)C(C)(C)C 233268968 ZEZGVSLVCKMPSY-GHMZBOCLSA-N 198.350 4.064 0 10 AIAE CCCCCSCCC(C)(C)C 1189050252 MPSNAJCBYRJGCU-UHFFFAOYSA-N 188.380 4.346 0 10 AIAE CCC(CC)SCCCC(C)C 1651796903 LFMJCGSUNIKDRM-UHFFFAOYSA-N 188.380 4.344 0 10 AIAE C=C/C=C/CCSCCCCC 1656415978 RPBXOPUJEJIGNB-FNORWQNLSA-N 184.348 4.042 0 10 AIAE CCCCC[C@@](N)(CC)C(CC)CC 1890778915 IDUYFMYCZYIADW-ZDUSSCGKSA-N 199.382 4.110 0 10 AIAE CC(C)CC[C@H]1C=CCCCC1 1925876638 HJTSRPFAXWQBPN-LBPRGKRZSA-N 166.308 4.169 0 10 AIAE C=CCC[C@H](C)c1cccc(Cl)c1 136620587 XTYINWKLZDOBDS-JTQLQIEISA-N 194.705 4.410 0 10 AIAE CCCCCCC(=O)[C@H](C)[C@@H](C)CC 319656171 FDPQTGBHFFSGEA-NWDGAFQWSA-N 198.350 4.208 0 10 AIAE CC[C@@H](C)CSCCC=C(C)C 1643785229 JJSMTSPMUNFPDJ-LLVKDONJSA-N 186.364 4.122 0 10 AIAE CCCC[C@@H](O)CCCC(C)=C(C)C 1933353644 SKLBUODCCPWSTJ-CYBMUJFWSA-N 198.350 4.064 0 10 AIAE CCCCCC(=O)[C@@H](CC)CCCC 15205801 KALOYZXPKPLLLM-LBPRGKRZSA-N 198.350 4.352 0 10 AIAE CCCCCCS[C@@H](C)CC 82006441 BRZCWUSPVLTGJY-JTQLQIEISA-N 174.353 4.098 0 10 AIAE C=C/C=C/CC[C@@H]1CCCC[C@H]1C 713655132 IOWKTMZFNSAMLZ-IJWDBEHRSA-N 178.319 4.335 0 10 AIAE CC(C)=C(C)CCCc1cccs1 718739817 OYUUKQAZAFOJML-UHFFFAOYSA-N 194.343 4.427 0 10 AIAE C1=CCC(CC=C2CCCCC2)C1 1881826585 IOABILUTNQYFBD-UHFFFAOYSA-N 176.303 4.233 0 10 AIAE CCCCC(=O)CCC1(CC)CCC1 1888026889 HNKARPUQCCYYKZ-UHFFFAOYSA-N 196.334 4.106 0 10 AIAE C[C@]12CCCC[C@H]1CC(=C(F)F)C2 1927563070 NDUDEHHNMJNMPR-GXSJLCMTSA-N 186.245 4.127 0 10 AIAE C[C@@H]1CCC[C@H](C[C@@H]2C=CCC2)C1 1932593607 UBRJVGUZAFPTSN-UPJWGTAASA-N 178.319 4.169 0 10 AIAE Cc1cccc(C2CCCCC2)c1F 75841078 VCJSBUOXZJEDKA-UHFFFAOYSA-N 192.277 4.182 0 10 AIAE CCC[C@H](C)CCCC(C)C 96334089 MGNGOEWESNDQAN-NSHDSACASA-N 156.313 4.249 0 10 AIAE CCc1ccc2scc(CC)c2c1 101234468 UZNNSZNYJUZDPE-UHFFFAOYSA-N 190.311 4.026 0 10 AIAE Cl/C=C\c1ccc(/C=C/Cl)cc1 105688869 WNGOALYTPHGNAE-CGXWXWIYSA-N 199.080 4.106 0 10 AIAE CCCC[C@H](CC)C(=O)C(CC)CC 229214769 KJDJDQMLCIDKCL-LBPRGKRZSA-N 198.350 4.208 0 10 AIAE CCc1cc(C)c2ccsc2c1C 306557178 NKRWSPFFSMPOEB-UHFFFAOYSA-N 190.311 4.081 0 10 AIAE C=CC=CCC[C@H]1CC(C)(C)[C@H]1C 1889344604 JWJSQPFTSLZVLW-RYUDHWBXSA-N 178.319 4.191 0 10 AIAE CCc1cscc1CCCC(C)C 1889481046 MUPLUDFVDABMAM-UHFFFAOYSA-N 196.359 4.289 0 10 AIAE F[C@H]1CCCC[C@@H]1CC1=CCCC1 1954280646 FPIUDDKTLZDLLF-NEPJUHHUSA-N 182.282 4.015 0 10 AIAE CCC(C)(CC)CCC(=O)C(C)(C)C 701318146 BPXRGLZZFHHLMP-UHFFFAOYSA-N 198.350 4.208 0 10 AIAE CCCCCSc1ccccc1F 1651730089 GWJRVIVVBHCZRM-UHFFFAOYSA-N 198.306 4.108 0 10 AIAE C/C=C/CCC[C@@H]1[C@H](C)[C@H]1CC 1880809685 LCXHAXCZWDTDMW-YUBFOPJASA-N 166.308 4.025 0 10 AIAE Cc1csc2c(C)cc(Cl)cc12 142190750 KNZMYPAGYNAHFZ-UHFFFAOYSA-N 196.702 4.172 0 10 AIAE CC(C)=CCCCCc1cccs1 698072559 SGZBSJSQZBOBEN-UHFFFAOYSA-N 194.343 4.427 0 10 AIAE C/C=C/CCCc1cc(C)c(C)s1 1884050937 NXCQOILNVCWTES-SNAWJCMRSA-N 194.343 4.264 0 10 AIAE CC=CCc1csc2ccccc12 1888065390 DHCHXCUFHXSPRN-UHFFFAOYSA-N 188.295 4.020 0 10 AIAE CC1CCC(=COC2CCCC2)CC1 238197605 LMXXHHFQJCOQLV-UHFFFAOYSA-N 194.318 4.040 0 10 AIAE CCCCCCc1scc(C)c1C 1889470001 HIBGGKYZQINVRX-UHFFFAOYSA-N 196.359 4.488 0 10 AIAE C/C=C\C[C@@H](C)c1cc(F)ccc1F 107606776 OZAMAQAMBDESSX-ZBJFTSOASA-N 196.240 4.035 0 10 AIAE C=CCCCCCC[C@H](CC)C(C)=O 147261944 IKBGOICMNQOEPR-ZDUSSCGKSA-N 196.334 4.128 0 10 AIAE CCC/C=C\CCCC(C)C 195799935 LZTSSEXAIDREIR-SREVYHEPSA-N 154.297 4.169 0 10 AIAE C[C@H](C(=O)CCC(C)(C)C)C(C)(C)C 210137022 VIJPRFRCBLMPJA-SNVBAGLBSA-N 198.350 4.064 0 10 AIAE CC(C)Cc1ccc(C=C(F)F)cc1 196522926 JYKTYQRNKBHWOI-UHFFFAOYSA-N 196.240 4.123 0 10 AIAE C=C/C=C/CC[C@H](C)CC(C)C 713701690 ORVNBTBUTXFLDY-SYTKJHMZSA-N 166.308 4.191 0 10 AIAE CCCCC[C@@H](O)CCC(C)=C(C)C 718743197 UNUDFTWNCRRGMM-CYBMUJFWSA-N 198.350 4.064 0 10 AIAE CCC=CCCCCC=CCC 1933275734 ZHKLTJAOGTZTCN-UHFFFAOYSA-N 166.308 4.479 0 10 AIAE CCCCC(=O)CC1=CCCCCC1 1933333403 HNEBZMKCJSDLJY-UHFFFAOYSA-N 194.318 4.026 0 10 AIAE C1CCC([C@H]2C[C@H]3CC[C@H]2C3)CC1 145376017 CWUGMXAFACSYPR-WCFLWFBJSA-N 178.319 4.003 0 10 AIAE CCSc1ccc([C@H](F)CC)cc1 260533021 NIDYSWJBBKQXRO-LLVKDONJSA-N 198.306 4.219 0 10 AIAE CCCCC(=O)CC[C@@H](C)CC(C)C 1933335094 BNPBPBMCAGZAJZ-GFCCVEGCSA-N 198.350 4.208 0 10 AIAE C[C@@H]1Sc2cccc3cccc1c23 32210421 YFCUGEDKANRMNI-QMMMGPOBSA-N 186.279 4.007 0 10 AIAE CC=CCCC[C@@H]1CC[C@@H](C)C1 1880805262 MIBROLFQBLGKEF-VXGBXAGGSA-N 166.308 4.169 0 10 AIAE Cc1cc(C2CCC(C)CC2)cs1 1889519711 UIPSRQILKJIHST-UHFFFAOYSA-N 194.343 4.350 0 10 AIAE C1=CCC(C2(C3=CC=CC3)CCCC2)=C1 59072667 LNWRLPOEJXXRPC-UHFFFAOYSA-N 198.309 4.319 0 10 AIAE CC[C@@H](C)CCC(C)=C(C)C 718730024 MHBIAOYMCPFTDJ-SNVBAGLBSA-N 154.297 4.169 0 10 AIAE Cc1cc(CC2=CCCC2)sc1C 1884043393 ZBVQVLBGPSILFJ-UHFFFAOYSA-N 192.327 4.018 0 10 AIAE CCC(=O)CC=C(C)CCCC(C)C 1888055813 ZLAFKXXIYTUUDJ-UHFFFAOYSA-N 196.334 4.128 0 10 AIAE C1=C[C@@H](CC2CCCCCC2)CC1 1932593746 VDRQSNXXIZDYMT-CYBMUJFWSA-N 178.319 4.313 0 10 AIAE CCCCCC[C@@H](N)[C@@H](CC)CCC 2242046121 SGFVEUYGNYOMOK-QWHCGFSZSA-N 199.382 4.110 0 10 AIAE CC(C)(C)CC1CC(C=C(F)F)C1 2242241520 TVRICPUGJDPNIL-UHFFFAOYSA-N 188.261 4.229 0 10 AIAE CCC(CC)CC1CC(C)(C)C1 217947057 SGGRQOCEAQCDNT-UHFFFAOYSA-N 168.324 4.249 0 10 AIAE C[C@@H]1CC(SC2CCC2)C[C@@H](C)C1 1189391664 FVBZIUHEMNRKFG-UWVGGRQHSA-N 198.375 4.097 0 10 AIAE CCC(C)=CCc1cc(C)ccc1F 1887883105 RBKYWHRLYWRAEW-UHFFFAOYSA-N 192.277 4.033 0 10 AIAE F[C@H]1CCC[C@@H]1CC1=CCCCC1 2241441627 UKKGVGRXFPNVFN-NEPJUHHUSA-N 182.282 4.015 0 10 AIAE Cc1cc(C)c(SC(C)C)c(C)c1 39474033 WKGPXXWKUCASKA-UHFFFAOYSA-N 194.343 4.112 0 10 AIAE CCCCCC(=O)[C@H](CC)CC(C)C 199838337 KMMWIUYONVRHBF-GFCCVEGCSA-N 198.350 4.208 0 10 AIAE Cc1c(F)cccc1CCCC(C)C 1889481342 ROPWSRLYJOWEKM-UHFFFAOYSA-N 194.293 4.113 0 10 AIAE CCC[C@@H](C)CC[C@@H]1C=CCC1 1932592614 KGWYUCFAEFYZFY-VXGBXAGGSA-N 166.308 4.169 0 10 AIAE c1cc(C2CCCCC2)c2[nH]ccc2c1 89209259 PMLDDBPKGDTOFG-UHFFFAOYSA-N 199.297 4.216 0 10 AIAE CC[C@@H](C)SCc1ccc(C)cc1 148825365 ZAGGYYILHZPCMR-LLVKDONJSA-N 194.343 4.027 0 10 AIAE C1=C(CCC2CCCC2)CCC1 306972973 UYHBNQCWHJHVAI-UHFFFAOYSA-N 164.292 4.067 0 10 AIAE CC1(C)CC=C(C[C@H]2C=CCC2)CC1 1885639006 MCAOTXQGEYHDAH-LBPRGKRZSA-N 190.330 4.479 0 10 AIAE CCCC1(O)CCCCCCCCC1 1932867772 MIBDCVXKWAHHNW-UHFFFAOYSA-N 198.350 4.042 0 10 AIAE CCS[C@@H](C)c1cc(C)ccc1C 90476106 VCSWNEPQFLMELG-NSHDSACASA-N 194.343 4.118 0 10 AIAE C=CCCCC(C)(C)C(C)C 166025734 BVHJHFABDNNVFZ-UHFFFAOYSA-N 154.297 4.025 0 10 AIAE Cc1cc2cc(Cl)c(C)cc2s1 307077495 DMSWWCLUAAEAKU-UHFFFAOYSA-N 196.702 4.172 0 10 AIAE CC(C)(C)SCCC1CCCC1 379323056 NOOKVLZMUYUMKK-UHFFFAOYSA-N 186.364 4.098 0 10 AIAE CCCCC[C@@](C)(N)C[C@@H](C)CCC 1933698901 RLTDGBNETIBXRB-QWHCGFSZSA-N 199.382 4.110 0 10 AIAE CCCCC(=O)CCC1CCCCC1 167944172 NVFVTDZGTRREBP-UHFFFAOYSA-N 196.334 4.106 0 10 AIAE CC[C@@H](C)[C@H](C)C(=O)CCC(C)(C)C 319898882 WXEVUHUPLJRHTI-MNOVXSKESA-N 198.350 4.064 0 10 AIAE CCCCCC[C@H](C)C(=O)CC(C)C 695044945 GKFHVFRUFMYMRP-LBPRGKRZSA-N 198.350 4.208 0 10 AIAE CC(C)CCC[C@@H](C)C(=O)CC(C)C 1878831624 MPUIJXHDYRKORW-GFCCVEGCSA-N 198.350 4.064 0 10 AIAE CCC(CC)c1ccccc1SC 1889470476 SMIITAGTZLAKJM-UHFFFAOYSA-N 194.343 4.312 0 10 AIAE Cc1cc(CCCC(C)C)cs1 1889480860 IUHHUNAHNQWCKP-UHFFFAOYSA-N 182.332 4.035 0 10 AIAE CCC(CC)c1cccc(C(C)C)n1 1889493599 GVGZOGTUDYQJNB-UHFFFAOYSA-N 191.318 4.109 0 10 AIAE CC(C)[C@H]1CC[C@H](C)CC1=C(F)F 1927554933 IDXKQGXBEDBMKT-DTWKUNHWSA-N 188.261 4.229 0 10 AIAE C[C@@H]1CC[C@H](CC[C@H]2C=CCC2)C1 1954343310 MQNKHYWARTXUMM-FRRDWIJNSA-N 178.319 4.169 0 10 AIAE C=C[C@@H](c1ccccc1)[C@H](C)CC 136254674 QFXHCYJKPHUDMS-DGCLKSJQSA-N 174.287 4.002 0 10 AIAE CC1(c2ccc(Cl)cc2)CCCC1 138060286 QGKMJUFXDRFFIN-UHFFFAOYSA-N 194.705 4.172 0 10 AIAE CCC(C)(CC)C(=O)C(C)(CC)CC 145044621 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HHOKEMDUDOMPQW-UHFFFAOYSA-N 192.233 4.004 0 10 AIAE CC1(CC[C@@H]2C=CCC2)CCCC1 1932593385 RPACQOIQYIVFKL-GFCCVEGCSA-N 178.319 4.313 0 10 AIAE CCCCCCc1cccc(C)c1F 148547058 OGXPWGFXYNRENQ-UHFFFAOYSA-N 194.293 4.257 0 10 AIAE CC(C)=CCCc1ccccc1Cl 698071817 NJIODSBNQCHIIA-UHFFFAOYSA-N 194.705 4.239 0 10 AIAE CCCC(N)(CC=C(C)CC)CCC 1887986327 FKLCUVZQNPJDSS-UHFFFAOYSA-N 197.366 4.031 0 10 AIAE CC(C)=CCCC1[C@@H]2CCCC[C@@H]12 1931070911 JFRCYLAQVRGTBB-VXGBXAGGSA-N 178.319 4.169 0 10 AIAE CC[C@@H](C)CCC[C@H](C)CC 111333650 YGPVLXJHRFZYJJ-GHMZBOCLSA-N 156.313 4.249 0 10 AIAE in-vitro CC(C)=C(C)CCC(C)(C)C 225589103 GWJHHWYBMZQCSO-UHFFFAOYSA-N 154.297 4.169 0 10 AIAE Cc1ccc(-c2ccsc2C)s1 1889536638 XIAXARGNFGLRIT-UHFFFAOYSA-N 194.324 4.093 0 10 AIAE CCCC[C@@H](N)CCCCC(C)(C)C 1933333097 DGEAIAOUINTYEF-GFCCVEGCSA-N 199.382 4.110 0 10 AIAE C[C@H]1CCC[C@H]1C1CCCCC1 1680797 XCXDPWLAQJIWCQ-CMPLNLGQSA-N 166.308 4.003 0 10 AIAE Cc1cc(C(C)(C)C)cc2ccccc12 111389303 IRMNGEAZYAGNMC-UHFFFAOYSA-N 198.309 4.446 0 10 AIAE CC1=C(C)C23CC=CCC12CC=CC3 307302257 NGYPVYHAXVYZOQ-UHFFFAOYSA-N 186.298 4.009 0 10 AIAE CC[C@@H](CCC(C)C)C(=O)CC(C)C 1886691404 QIVOZZUSECFJJA-LBPRGKRZSA-N 198.350 4.064 0 10 AIAE CC=CCCC(C)(C)C(C)C 1888078003 JDORCCFSNVAZOB-UHFFFAOYSA-N 154.297 4.025 0 10 AIAE C[C@@H]1C[C@H]1CCCC1=CCCCC1 1889693573 OWEXGFZMUVFNRU-DGCLKSJQSA-N 178.319 4.313 0 10 AIAE CCCCCC[C@H]1C[C@@H]1C(C)C 226264339 ULRHGXCPUWFWFJ-NWDGAFQWSA-N 168.324 4.249 0 10 AIAE Clc1ccsc1CC1=CCCC1 307061698 LHGGTRFBQIMWTC-UHFFFAOYSA-N 198.718 4.054 0 10 AIAE Cc1cc(C)c2sccc2c1Cl 307374567 TVKKDHUGECJWCA-UHFFFAOYSA-N 196.702 4.172 0 10 AIAE CCC[C@H](C)C(=O)C(C)(C)C(C)(C)C 308761529 YCEYRVDHGHOMSK-JTQLQIEISA-N 198.350 4.064 0 10 AIAE C1=CCC(CCCC2CCCC2)C1 692072112 PMKDJSHZZCMIQK-UHFFFAOYSA-N 178.319 4.313 0 10 AIAE CCCC[C@H](C)C(=O)CC(C)(C)CC 713318652 OFSOVVOTDMKGJQ-NSHDSACASA-N 198.350 4.208 0 10 AIAE C[C@H]1C[C@@H](C)C[C@H](C(C)(C)Cl)C1 725261468 RALNYAVQYBVUAT-MYJAWHEDSA-N 188.742 4.076 0 10 AIAE CCC[C@@H](CC)SCCC(C)C 1613756632 GMRCOFCZZNHEAL-LLVKDONJSA-N 188.380 4.344 0 10 AIAE C1CCC(CC2CC(=C3CC3)C2)C1 1882376680 PXXMOSZSDWLVPE-UHFFFAOYSA-N 176.303 4.067 0 10 AIAE CCC(CC)c1cc(C)c(F)c(C)c1 1889481306 QRDPTLWLRBRLMT-UHFFFAOYSA-N 194.293 4.346 0 10 AIAE C1=C[C@@H](CC2CC3(CCC3)C2)CCC1 1932600961 IGDQAKYZRFPZAM-GFCCVEGCSA-N 190.330 4.313 0 10 AIAE Cc1cc(C)c(CCC(C)C)cc1C 96331901 SSWDVXXDRVNAPU-UHFFFAOYSA-N 190.330 4.200 0 10 AIAE CCCCC/C(=C\CCO)CCCC 219838067 OTBGLPGLFRTDNR-QBFSEMIESA-N 198.350 4.066 0 10 AIAE CCC(C)=CC[C@@H]1CCCC[C@H]1F 1888065615 HPVODBGMSZJEBA-NWDGAFQWSA-N 184.298 4.261 0 10 AIAE CC(C)[C@H](C)CC1=CCCCC1 2241441412 SPZCTNXURXYRAD-LLVKDONJSA-N 166.308 4.169 0 10 AIAE C/C=C/CCCC[C@@H]1CC[C@@H](F)C1 1882214468 NMAOKCGPDUGRPZ-JGLYPNHGSA-N 184.298 4.261 0 10 AIAE CC(C)=CCC[C@@H]1CC(C)(C)[C@@H]1C 1889399281 IJEWJKOCIDXZSY-VXGBXAGGSA-N 180.335 4.415 0 10 AIAE C1=C[C@H](CC2CCCC2)CCCC1 1925877310 OCUNXAJPUZDPAP-LBPRGKRZSA-N 178.319 4.313 0 10 AIAE CC(C)(C)c1cccc2ccccc12 1711857 SPLGZANLVHBDCC-UHFFFAOYSA-N 184.282 4.137 0 10 AIAE CCCC[C@](N)(CC)CCC=C(C)C 697770198 CQDATLHCCLXIMY-CYBMUJFWSA-N 197.366 4.031 0 10 AIAE C=Cc1ccc(-c2cccs2)s1 114954351 QXKBVFKZDKYFOL-UHFFFAOYSA-N 192.308 4.120 0 10 AIAE CCCC[C@H](C)CC[C@H](N)CCCC 1906718354 NJKFOAZNSVKJLP-QWHCGFSZSA-N 199.382 4.110 0 10 AIAE C1=C[C@H](C[C@@H]2[C@H]3CCC[C@H]32)CCCC1 1925815719 ZFLFPCHBTZLWOF-IGQOVBAYSA-N 190.330 4.169 0 10 AIAE Cc1cc(C)c2cc(C)cc(C)c2c1 2583707 DJPXLDQUUDRRJC-UHFFFAOYSA-N 184.282 4.073 0 10 AIAE CC(C)CCC(=O)C[C@@H](C)C(C)(C)C 164735076 OTSGJGYUYADHDT-LLVKDONJSA-N 198.350 4.064 0 10 AIAE CC(C)c1cc(F)ccc1C(C)(C)C 231591612 CCQWRTLCMAXECH-UHFFFAOYSA-N 194.293 4.247 0 10 AIAE CCC[C@H](CC)Nc1csc(C)c1 710729171 NZRCSFYVIIVYFQ-JTQLQIEISA-N 197.347 4.047 0 10 AIAE CCC(C)=CC[C@@H]1CC[C@@H](C)C1 1888060901 LOOZEKDAUDWOKI-VXGBXAGGSA-N 166.308 4.169 0 10 AIAE C[C@H]1CCC(=C(F)F)c2ccccc21 1927559572 DLQALQWWPOLEAX-QMMMGPOBSA-N 194.224 4.192 0 10 AIAE C=C/C=C/CCCC1(C)CCCC1 713730048 XSKLFZUXDWZQSM-SNAWJCMRSA-N 178.319 4.479 0 10 AIAE C/C=C/CCC[C@H]1CC[C@@H](C)C1 1880809808 MIBROLFQBLGKEF-LXYZTQFVSA-N 166.308 4.169 0 10 AIAE CC=CCCCC(=O)CC(C)(C)CC 1885348718 WLIQFTPOBCSAGZ-UHFFFAOYSA-N 196.334 4.128 0 10 AIAE C[C@@H]1CC[C@@H](C2CC=CC2)C[C@H]1C 1954168219 SJRLCCWDCIGDFX-NQBHXWOUSA-N 178.319 4.025 0 10 AIAE CCC(CC)(CC)C(=O)[C@@H](C)C(C)C 1956134939 DTRJDWXYMNWKJR-NSHDSACASA-N 198.350 4.064 0 10 AIAE CC[C@H](C)c1cc(C)c2ccccc2n1 198797541 AMUBOGIJWBYYBR-JTQLQIEISA-N 199.297 4.057 0 10 AIAE C[C@H](F)c1ccc(Cl)c(Cl)c1 213660893 SYCFOTYMTUAAFZ-YFKPBYRVSA-N 193.048 4.024 0 10 AIAE CCC[C@H](C)C(=O)CCC(C)(C)CC 696631353 CZPLOFCVKUILPG-NSHDSACASA-N 198.350 4.208 0 10 AIAE CC/C=C/CCSCCCCC 1652749446 JRXSSQUDJRQSGX-FNORWQNLSA-N 186.364 4.266 0 10 AIAE C/C=C/[C@]1(C)CCC(C)=C(C)C1 104368455 YQXCLLJHRDWYPZ-HOSRBBHYSA-N 164.292 4.089 0 10 AIAE C=C=C(c1ccccc1C)C(C)(C)C 104398474 BACYPTFVCPSAMT-UHFFFAOYSA-N 186.298 4.209 0 10 AIAE CCCCCCSCC(C)(C)C 221472976 VZUBBDMHTHXDPF-UHFFFAOYSA-N 188.380 4.346 0 10 AIAE Cc1cc2cc(Cl)sc2cc1C 306966314 LFETVLZTDYUPIM-UHFFFAOYSA-N 196.702 4.172 0 10 AIAE CC(=O)C[C@H](C)CCCCCC(C)C 394838816 YBMBCURBYFYVFY-GFCCVEGCSA-N 198.350 4.208 0 10 AIAE CC(C)C[C@@H](C)CCC1CC=CC1 692072689 SLOXLDDSXKUZTA-LBPRGKRZSA-N 180.335 4.415 0 10 AIAE CCCCC[C@@H](CC)N(C)[C@@H](C)CC 1258437983 BKDDLYNFKYTCQC-QWHCGFSZSA-N 199.382 4.076 0 10 AIAE CC(C)[C@H](C)CC[C@H]1C=CCC1 1881123586 GCFDCELQTNTJJI-NEPJUHHUSA-N 166.308 4.025 0 10 AIAE CCCCC[C@@H]1CCC[C@@H](C)C1 142814836 QKGGSUPOLTUZMI-VXGBXAGGSA-N 168.324 4.393 0 10 AIAE Cc1ccc(C2(C)CCCC2)cc1C 203235830 QOFYSKNNYNPKNF-UHFFFAOYSA-N 188.314 4.135 0 10 AIAE CCCCC[C@@](C)(O)CCC=C(C)C 225349013 RQQBWYYWXQWXSP-CYBMUJFWSA-N 198.350 4.064 0 10 AIAE C1CCC(CSCC2CCC2)CC1 1165569712 CJSAOWIPVYPLML-UHFFFAOYSA-N 198.375 4.100 0 10 AIAE CCC/C=C/c1ccc2ccccc2n1 28002790 ZAPKXDJGBCUUKL-XBXARRHUSA-N 197.281 4.048 0 10 AIAE biogenic,in-vitro C/C=C\C[C@@H](CC)c1ccccc1 107611023 GIESNJDWNNLJEI-KTLBGCOUSA-N 174.287 4.146 0 10 AIAE CCCC[C@H]1CCC[C@H]1CC 111349005 YJMFUCKUZMNZLY-MNOVXSKESA-N 154.297 4.003 0 10 AIAE CCCC1(Sc2ccccc2)CC1 196436181 RKFGYMCSIDEDCR-UHFFFAOYSA-N 192.327 4.111 0 10 AIAE C/C=C\[C@@]1(C)CCC(C)=C(C)C1 211437475 YQXCLLJHRDWYPZ-HWPRWLFBSA-N 164.292 4.089 0 10 AIAE CC=CCCCC1CC(C(C)C)C1 1882216453 GHOGPCCTLLFCDK-UHFFFAOYSA-N 180.335 4.415 0 10 AIAE CC(C)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 104405230 RIVBBHMGRSGNTJ-YNEHKIRRSA-N 180.335 4.249 0 10 AIAE C[C@H](CC1CCCCC1)n1cccc1 196750802 HKIBOHUUURPRKH-GFCCVEGCSA-N 191.318 4.020 0 10 AIAE CC/C=C/C[C@@H](C)c1cccs1 238221266 SIUURIKSRNMNEN-ORAHPGNNSA-N 180.316 4.208 0 10 AIAE CC(C)c1ccc(C/C=C\Cl)cc1 306758431 UVCYKTRKGXOPMT-OQFOIZHKSA-N 194.705 4.105 0 10 AIAE CC/C=C/CCCCCC[C@@H](N)CC 211485570 LTLSNRHMBXMIJQ-GFUIURDCSA-N 197.366 4.031 0 10 AIAE C[C@H]1CC[C@@H](C)c2[nH]c3ccccc3c21 238804064 MZHQRGLNDTYFDL-VHSXEESVSA-N 199.297 4.169 0 10 AIAE Clc1ccc(CC2=CCCC2)s1 306799197 MPJKYLLLEFZWOU-UHFFFAOYSA-N 198.718 4.054 0 10 AIAE CC/C(C)=C(C)\C(Cl)=C/Cl 307799611 KPUPADBREZQZSK-WNXMRAAYSA-N 179.090 4.052 0 10 AIAE C=C/C=C\CCc1coc2ccccc12 713664035 NRZJDNJCWDUKOL-ARJAWSKDSA-N 198.265 4.108 0 10 AIAE CC=CCCC(C)(C)C(C)(F)F 1888078918 WPAJNWNNFISWTB-UHFFFAOYSA-N 176.250 4.024 0 10 AIAE CCC[C@@H](CC)CC(=O)[C@@H](C)C(C)C 1893823307 NODVTORCRFVJHN-NWDGAFQWSA-N 198.350 4.064 0 10 AIAE CC(C)=CC[C@@H]1CCC[C@@H](C)C1 1953687114 AENQQSZRJWXMHV-NEPJUHHUSA-N 166.308 4.169 0 10 AIAE CC(C)=CCC[C@@H]1CCC[C@H]1C 1953689001 VGLZIKSIKWINDL-VXGBXAGGSA-N 166.308 4.169 0 10 AIAE CC(C)=CC[C@H]1CCCC[C@@H]1C 1953689236 ZJJCZKJWQXUVCN-NWDGAFQWSA-N 166.308 4.169 0 10 AIAE CCCCCC[C@@H]1C=CCCC1 79979449 OQKLIIQHYMWPMF-GFCCVEGCSA-N 166.308 4.313 0 10 AIAE CC(C)=CC[C@H]1C[C@@H]1c1ccccc1 196661146 OFAMZUGXTPEZHV-UONOGXRCSA-N 186.298 4.146 0 10 AIAE CC(C)C(C)(C)CC(=O)CC(C)(C)C 713304437 LWWCQNZUONLOPJ-UHFFFAOYSA-N 198.350 4.064 0 10 AIAE C/C=C/CCC[C@H]1CC[C@H](C)C1 1880809810 MIBROLFQBLGKEF-QSKOYVBTSA-N 166.308 4.169 0 10 AIAE CC=CCC[C@@H]1C[C@@H]2CCC[C@@H]2C1 1887863037 VCUQWRDWFUAKJJ-CLLJXQQHSA-N 178.319 4.169 0 10 AIAE CCC(=O)C1CCCCCCCCC1 1932868196 SYBKCPGOYVLDOR-UHFFFAOYSA-N 196.334 4.106 0 10 AIAE CC(C)=CCCCC[C@@H]1CC[C@@H](C)O1 1955602665 RFKURAGUYVEFRF-CHWSQXEVSA-N 196.334 4.081 0 10 AIAE Cc1ccc(C)p1-c1ccccc1 111331704 HRRLZGXTMAMSCH-UHFFFAOYSA-N 188.210 4.279 0 10 AIAE C/C=C\C(=C/CCCCC)OCC 216507940 PGMJEKJYMAFWLT-HVOHDJRZSA-N 182.307 4.063 0 10 AIAE CCCC(N)(CCC)CC(CC)CC 704959006 HWOBAHOROOXTCY-UHFFFAOYSA-N 199.382 4.110 0 10 AIAE CCC(C)=CC[C@H](C)C(C)C 1888065991 MYMZBNLQBCIVRZ-NSHDSACASA-N 154.297 4.025 0 10 AIAE C1=C[C@@H](CC2=CCCCCC2)CC1 1932591956 FBPQPNRZVLCJTM-CYBMUJFWSA-N 176.303 4.233 0 10 AIAE C[C@@H]1CC[C@@H](CC2=CCCCC2)C1 2241439797 DYOGZYHVDGATAM-DGCLKSJQSA-N 178.319 4.313 0 10 AIAE CC/C=C\C[C@H](C)c1ccc(F)cc1 107559464 VNRUWUALQFDDAV-WYGGZMRJSA-N 192.277 4.286 0 10 AIAE C/C=C/C[C@H](C)c1cccc(C)c1C 168494217 MPGWWSSUFHUIIA-FYJFLYSWSA-N 188.314 4.373 0 10 AIAE CC(C)(C)c1[nH]c2ccccc2p1 169545368 GGGJEBXTMLDTHW-UHFFFAOYSA-N 191.214 4.046 0 10 AIAE C/C=C\CB(C/C=C\C)C/C=C\C 200277880 MWPRLKGQGBUYQD-PXLQOLDUSA-N 176.112 4.210 0 10 AIAE CC(C)CCCCC1=CCCC1 401041299 JYDAXDWVTJCBIT-UHFFFAOYSA-N 166.308 4.313 0 10 AIAE C/C=C\c1cccc(C(C)(C)C)c1 605696625 XUTUYJOERMEYTA-ALCCZGGFSA-N 174.287 4.017 0 10 AIAE C=C=CCCCC1(C)CCCC1 1880855504 NISJVQYGCRHWPV-UHFFFAOYSA-N 164.292 4.078 0 10 AIAE CC=CCCC[C@H](O)CCCCCC 1885375845 IFPRXWWWWZUZRE-ZDUSSCGKSA-N 198.350 4.064 0 10 AIAE CC=CCCc1cccc(C(F)F)c1 1888065272 BNWIDJYQSGADDH-UHFFFAOYSA-N 196.240 4.133 0 10 AIAE CC(C)=CCC[C@H]1CCC1(C)C 1931077370 XGNZGZZSGADSST-NSHDSACASA-N 166.308 4.169 0 10 AIAE Cc1cc(C)c(C2CC=CC2)c(C)c1 2209925827 XVFZSYKAVKWYFX-UHFFFAOYSA-N 186.298 4.045 0 10 AIAE CCC[C@@H](CC)C(=O)CCC=C(C)C 2242042235 PFNRBBWIPHTVLE-GFCCVEGCSA-N 196.334 4.128 0 10 AIAE CCCCCC[C@H](N)[C@H](CC)CCC 2242050705 SGFVEUYGNYOMOK-OLZOCXBDSA-N 199.382 4.110 0 10 AIAE CC/C=C/CCCCCCC[C@H](C)N 211478718 ZCUYAMBMARAXIY-IHVVCDCBSA-N 197.366 4.031 0 10 AIAE 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C[C@H]1C[C@H](C)C1CC1CC(=C2CC2)C1 1888330969 MHMSPRKVECTTGR-UWVGGRQHSA-N 190.330 4.169 0 10 AIAE CCC(C)(CC)C[C@H]1C=CCC1 1932595076 HIYPHNRHCUQRNU-NSHDSACASA-N 166.308 4.169 0 10 AIAE CCC[C@](N)(CC)CCC(C)=C(C)C 1933831891 XHCAKYNWGNPRRT-CYBMUJFWSA-N 197.366 4.031 0 10 AIAE CC[C@H](C)c1cccc([C@H](C)CC)n1 137458832 PUZXAVHMXPRPRG-PHIMTYICSA-N 191.318 4.109 0 10 AIAE C/C=C\C(=C\CCCCC)OCC 216507987 PGMJEKJYMAFWLT-UZQSCXJDSA-N 182.307 4.063 0 10 AIAE CCC(C)=CC[C@@H]1[C@@H](C)[C@H]1CC 1888061242 QKMLKXNBHOHTHO-QJPTWQEYSA-N 166.308 4.025 0 10 AIAE CCC[C@H](C)CC1=CCCCC1 2241441312 AWZVFIGPAVXKJQ-NSHDSACASA-N 166.308 4.313 0 10 AIAE CCCCN(CCCC)[C@@H](C)CCC 114179004 KSFUSYZPOPLNKH-ZDUSSCGKSA-N 199.382 4.077 0 10 AIAE CCCCC(CN)(CCC)CCCC 213108188 JWNGBLRZAUPHHD-UHFFFAOYSA-N 199.382 4.112 0 10 AIAE C[C@@H]1CC[C@@H](C)c2c1[nH]c1ccccc21 238441020 MZHQRGLNDTYFDL-NXEZZACHSA-N 199.297 4.169 0 10 AIAE CC(C)=CCCC[C@H](C)C(F)(F)F 1883146301 OHFMDTRYJJWQCZ-VIFPVBQESA-N 194.240 4.321 0 10 AIAE 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