smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC[C@H](Cl)CCCC(C)(C)CC 696715013 YBBLCCVMUHRDTL-JTQLQIEISA-N 190.758 4.610 50 10 AJGE CCCCCC[C@@H](Cl)[C@@H](C)CC 300815327 ZCFFIQQIFLJUHW-WDEREUQCSA-N 190.758 4.610 50 10 AJGE CCCCCC(C)(C)C[C@@H](C)Cl 82817443 VANMENDYMFDHCR-SNVBAGLBSA-N 190.758 4.610 50 10 AJGE CCCC(CCC)[C@@H](Cl)CCC 212784098 PYJSCJMDKKEGRI-NSHDSACASA-N 190.758 4.610 50 10 AJGE CCCCC[C@H](Cl)[C@H](C)CCC 1953634443 VEMIKMAKGFKQRV-MNOVXSKESA-N 190.758 4.610 50 10 AJGE CCC[C@H](CC)CCC[C@H](C)Cl 1893783375 PNGYOHOAQZXVHN-QWRGUYRKSA-N 190.758 4.610 50 10 AJGE C=C[C@H](Cl)CCCCCCCC 100057894 PVWZVFSKEIXAML-NSHDSACASA-N 188.742 4.530 50 10 AJGE CCCC[C@@H](CC)[C@H](Cl)CCC 212646729 ALTPDSCXZNQOQO-GHMZBOCLSA-N 190.758 4.610 50 10 AJGE CC(C)CCCCCC[C@H](C)Cl 383109382 HNAZCZCLDPUJMN-NSHDSACASA-N 190.758 4.610 50 10 AJGE CC[C@@H](Cl)CCCCC(C)(C)C 70789621 LPTRBUIUDZLHCC-SNVBAGLBSA-N 190.758 4.610 50 10 AJGE CCCCCCC=C(CC)CCl 1914088082 WWKJRWYVIIKPAA-UHFFFAOYSA-N 188.742 4.532 50 10 AJGE CCCCCCCCC(Cl)Cl 2040681 FBTKIMWGAQACHU-UHFFFAOYSA-N 197.149 4.541 50 10 AJGE CCCCCC[C@H](CC)[C@H](C)Cl 71111224 SCAHSZOVRCAWEQ-QWRGUYRKSA-N 190.758 4.610 50 10 AJGE CC[C@@H](Cl)CCCC(C)=C(C)C 1932419241 YYTOICNYTCQLEN-LLVKDONJSA-N 188.742 4.530 50 10 AJGE CCCCCC[C@H](Cl)CC(C)C 87523819 JHOVGKCNTIPBGP-NSHDSACASA-N 190.758 4.610 50 10 AJGE CCCCCCCCCC(C)=CC#N 2242455572 FYLINKRKEWBXFJ-UHFFFAOYSA-N 193.334 4.597 50 10 AJGE CCC[C@@H](Cl)CCCC(C)(C)C 71111449 PLAUFNZWXUWLQG-SNVBAGLBSA-N 190.758 4.610 50 10 AJGE C=C(C)CCCCCC[C@H](C)Cl 2241941462 VWQYZCBIKRLYTQ-NSHDSACASA-N 188.742 4.530 50 10 AJGE CCCC[C@@H](CC)C[C@H](Cl)CC 300734607 FVBHQXCTBHOCLO-GHMZBOCLSA-N 190.758 4.610 50 10 AJGE CCCC[C@@H](Cl)CCC=C(C)C 1953697049 ANJYWDWILPPOBU-LLVKDONJSA-N 188.742 4.530 50 10 AJGE CCCCCCCCC[C@@H](C)Cl 109315668 HQVPSRJKEWDSPN-LLVKDONJSA-N 190.758 4.754 50 10 AJGE CCCC(CCC)CCCCCl 1880729238 KRGYEVDNZIGRER-UHFFFAOYSA-N 190.758 4.612 50 10 AJGE CCC[C@@H](Cl)CCC=C(C)CC 1887896972 LFERIXKAAZVFAB-LLVKDONJSA-N 188.742 4.530 50 10 AJGE CCCC[C@H](Cl)CC[C@@H](C)CC 1933350295 JQWABTRAYCDQIM-QWRGUYRKSA-N 190.758 4.610 50 10 AJGE CCCC[C@@H](Cl)C[C@H](C)CCC 1933351340 UNEQQBZFLKRCJG-GHMZBOCLSA-N 190.758 4.610 50 10 AJGE CCCC/C=C/CCCCCCl 199339527 BDGZDTMMDIPHOP-AATRIKPKSA-N 188.742 4.532 50 10 AJGE CC[C@H](Cl)CCCCC(C)(C)C 70789618 LPTRBUIUDZLHCC-JTQLQIEISA-N 190.758 4.610 50 10 AJGE CCCCCC/C=C\CCCCl 307890431 PPECJBHTNVRXDT-FPLPWBNLSA-N 188.742 4.532 50 10 AJGE CCCC[C@H](C)CCCCCCl 238796765 ACFXDQZDOFQYHW-NSHDSACASA-N 190.758 4.612 50 10 AJGE CCCCCCC[C@@H](C)[C@H](C)Cl 109316276 WBNHSJWVXWOJSQ-MNOVXSKESA-N 190.758 4.610 50 10 AJGE CCCCC[C@H](Cl)[C@@H](C)CCC 1953634444 VEMIKMAKGFKQRV-QWRGUYRKSA-N 190.758 4.610 50 10 AJGE C=C(CC)CC[C@H](Cl)CCCC 1933350155 IEWLBPXHAGBHLL-LLVKDONJSA-N 188.742 4.530 50 10 AJGE CCCCC[C@@H](CC)[C@H](Cl)CC 1881253597 OFDZTTIURIZUPO-GHMZBOCLSA-N 190.758 4.610 50 10 AJGE CCCC/C=C\[C@@H](Cl)CCCC 384227564 VTYKWIATEGFDKG-IEHMKBBKSA-N 188.742 4.530 50 10 AJGE CCCCC[C@H](CC)[C@H](Cl)CC 1881253600 OFDZTTIURIZUPO-WDEREUQCSA-N 190.758 4.610 50 10 AJGE CCCCCCC[C@H](C)[C@H](C)Cl 109316278 WBNHSJWVXWOJSQ-QWRGUYRKSA-N 190.758 4.610 50 10 AJGE C[C@@H](Cl)CCCCCC(C)(C)C 300749200 FMLNGHHQMMEWGP-SNVBAGLBSA-N 190.758 4.610 50 10 AJGE CCC[C@@H](CC)CCC[C@@H](C)Cl 1893783373 PNGYOHOAQZXVHN-GHMZBOCLSA-N 190.758 4.610 50 10 AJGE CCCCCC[C@H](C)C[C@@H](C)Cl 82812651 QKXKJSGGDIDGBZ-WDEREUQCSA-N 190.758 4.610 50 10 AJGE CCCCCC[C@H](C)C[C@H](C)Cl 82812655 QKXKJSGGDIDGBZ-QWRGUYRKSA-N 190.758 4.610 50 10 AJGE CCCCCCCCCC=C(C)C#N 1951800313 DKGNCGDWXLUSGG-UHFFFAOYSA-N 193.334 4.597 50 10 AJGE C=C(C)CCCC[C@@H](Cl)CCC 229096306 QIRLDPJPLRFFRE-NSHDSACASA-N 188.742 4.530 50 10 AJGE CCCCCCC[C@H](Cl)CCC 109315887 KESDBQQEOYHYDA-LLVKDONJSA-N 190.758 4.754 50 10 AJGE CCCC[C@H](Cl)CC(C)=C(C)C 1881221886 IXZGFLQFTMECIQ-NSHDSACASA-N 188.742 4.530 50 10 AJGE CCC[C@H](C)CC[C@@H](Cl)CCC 82438845 IIIAVANQYIBKOD-QWRGUYRKSA-N 190.758 4.610 50 10 AJGE C=CCCCCC[C@H](Cl)CCC 70787176 IZVZZCQYPLJONJ-LLVKDONJSA-N 188.742 4.530 50 10 AJGE CCCCCC[C@@H](Cl)C(C)(C)C 71111891 BMMVANRSJCTINM-SNVBAGLBSA-N 190.758 4.610 50 10 AJGE CCCC(CCC)=C(CC)CCl 1914054548 PMLIOSYKUZQBNU-UHFFFAOYSA-N 188.742 4.532 50 10 AJGE CCCCCCCC=C(C)CCl 1914046961 OUVCOAQADSLQKF-UHFFFAOYSA-N 188.742 4.532 50 10 AJGE CCCCCC[C@@H](CC)[C@H](C)Cl 71111218 SCAHSZOVRCAWEQ-WDEREUQCSA-N 190.758 4.610 50 10 AJGE CCC[C@@H](C)CCC[C@@H](Cl)CC 70789286 QHSAIMXCQNTXRR-MNOVXSKESA-N 190.758 4.610 50 10 AJGE CCCCC[C@H](Cl)C(CC)CC 1953635084 XJAYTQMGAOEIRM-NSHDSACASA-N 190.758 4.610 50 10 AJGE CCC[C@H](Cl)CCC[C@@H](C)CC 70787111 WXFBRUQWDGRCJO-QWRGUYRKSA-N 190.758 4.610 50 10 AJGE CCCCCCC/C=C\CCCl 100296910 GVKSADHYWCFNSZ-HJWRWDBZSA-N 188.742 4.532 50 10 AJGE CCCCCC/C(C)=C\CCCl 211934399 UWOPCPPRCCRHMH-LUAWRHEFSA-N 188.742 4.532 50 10 AJGE CCCCCC(CC)(CC)CCl 85043885 CQMAZQCOFPWNEZ-UHFFFAOYSA-N 190.758 4.612 50 10 AJGE CCCCCC[C@H](C)[C@@H](Cl)CC 82449004 PACCLSWDCJCMAL-QWRGUYRKSA-N 190.758 4.610 50 10 AJGE CCCCCC[C@@H](Cl)CCCC 2009793 YLCGEXHMSVRUFA-NSHDSACASA-N 190.758 4.754 50 10 AJGE CCCCC[C@@H](Cl)c1ccccc1 71086539 ZTKUNZYDCMRWGS-GFCCVEGCSA-N 196.721 4.547 50 10 AJGE CCC(CC)(CC)CC[C@@H](C)Cl 395109229 AIUBRDWWWHYAQE-SNVBAGLBSA-N 190.758 4.610 50 10 AJGE CCC(C)=CCCC[C@H](Cl)CC 1888028450 DOBJWAMTUXKPHV-LLVKDONJSA-N 188.742 4.530 50 10 AJGE CCC[C@@H](Cl)CCCC=C(C)C 1933622865 VLLDCJDJNWDTHL-LLVKDONJSA-N 188.742 4.530 50 10 AJGE C=C(CC)CCC[C@H](Cl)CCC 85071326 DIUZGFWSUPXCNG-LLVKDONJSA-N 188.742 4.530 50 10 AJGE CCCCC[C@@H](C)CCCCCl 1962712169 GQMZTUJZEAMWQN-LLVKDONJSA-N 190.758 4.612 50 10 AJGE CCC[C@H](CC)CCC[C@@H](C)Cl 1893783374 PNGYOHOAQZXVHN-MNOVXSKESA-N 190.758 4.610 50 10 AJGE CCCCCC/C(C)=C/CCCl 86570354 UWOPCPPRCCRHMH-PKNBQFBNSA-N 188.742 4.532 50 10 AJGE C=CCCCCCCC[C@@H](C)Cl 235182586 QIXFQRQXCBXTPA-LLVKDONJSA-N 188.742 4.530 50 10 AJGE CCC[C@@H](Cl)CCC(C)=C(C)C 718522119 YEOQJKICDRZEPR-LLVKDONJSA-N 188.742 4.530 50 10 AJGE CCCCCCCC(C)(C)CCl 117329502 VUCUBKXLXVTWFR-UHFFFAOYSA-N 190.758 4.612 50 10 AJGE CCCC[C@@H](Cl)CCCC(C)C 1933351793 YWXOQHPAMYORBR-LLVKDONJSA-N 190.758 4.610 50 10 AJGE CCCCC[C@H](Cl)CCC(C)C 300816092 ZIAJXNOJIGULFQ-NSHDSACASA-N 190.758 4.610 50 10 AJGE CCCC[C@H](CC)[C@H](Cl)CCC 212646785 ALTPDSCXZNQOQO-WDEREUQCSA-N 190.758 4.610 50 10 AJGE CCC[C@H](C)CCC[C@@H](Cl)CC 70789289 QHSAIMXCQNTXRR-QWRGUYRKSA-N 190.758 4.610 50 10 AJGE CCCCCC[C@@H](CCl)CCC 85044709 FWGPCLSYJCNIJY-NSHDSACASA-N 190.758 4.612 50 10 AJGE CCC[C@H](Cl)CCC(C)=C(C)C 718522125 YEOQJKICDRZEPR-NSHDSACASA-N 188.742 4.530 50 10 AJGE CCCCCC(C)=C(CC)CCl 1914053056 CKQLYWQRXLIBSA-UHFFFAOYSA-N 188.742 4.532 50 10 AJGE CCCC[C@@H](Cl)CC(C)=C(C)C 1881221885 IXZGFLQFTMECIQ-LLVKDONJSA-N 188.742 4.530 50 10 AJGE CCC[C@H](CC)CC[C@@H](Cl)CC 1893783538 RIUWFXKINYHWGW-QWRGUYRKSA-N 190.758 4.610 50 10 AJGE CCCCCC(C)(C)C[C@H](C)Cl 82817444 VANMENDYMFDHCR-JTQLQIEISA-N 190.758 4.610 50 10 AJGE CCCCCC[C@H](C)[C@H](Cl)CC 82449001 PACCLSWDCJCMAL-WDEREUQCSA-N 190.758 4.610 50 10 AJGE CCC[C@@H](CC)CC[C@@H](Cl)CC 1893783537 RIUWFXKINYHWGW-MNOVXSKESA-N 190.758 4.610 50 10 AJGE CC[C@H](Cl)CCCC(C)=C(C)C 1932419242 YYTOICNYTCQLEN-NSHDSACASA-N 188.742 4.530 50 10 AJGE CC=C(CC)C[C@H](Cl)CCCC 1881432926 AKHVPIOXCBPDMU-LLVKDONJSA-N 188.742 4.530 50 10 AJGE CC(C)=C(C)CCCC[C@@H](C)Cl 718595325 HQKKHLOKIYAMCN-LLVKDONJSA-N 188.742 4.530 50 10 AJGE [C-]#[N+]CCCCCCCCCCCC 100065246 RZELGCMBQAPXRI-UHFFFAOYSA-N 195.350 4.827 50 10 AJGE C=C(C)CCCCC[C@H](Cl)CC 2241950825 UBRXSHNYEZWGNX-LLVKDONJSA-N 188.742 4.530 50 10 AJGE CCCCC[C@@H](Cl)[C@H](C)CCC 1953634442 VEMIKMAKGFKQRV-GHMZBOCLSA-N 190.758 4.610 50 10 AJGE CCCCCC[C@@H](C)C[C@H](C)Cl 82812653 QKXKJSGGDIDGBZ-MNOVXSKESA-N 190.758 4.610 50 10 AJGE CCC(CC)CCCC[C@H](C)Cl 1887772111 SHJNXOXHIDNGRZ-JTQLQIEISA-N 190.758 4.610 50 10 AJGE CC[C@@H](Cl)CCCC(C)(C)CC 696715014 YBBLCCVMUHRDTL-SNVBAGLBSA-N 190.758 4.610 50 10 AJGE CCC[C@@H](Cl)CCC[C@H](C)CC 70787124 WXFBRUQWDGRCJO-GHMZBOCLSA-N 190.758 4.610 50 10 AJGE CCCCCC[C@H](Cl)[C@@H](C)CC 300815326 ZCFFIQQIFLJUHW-QWRGUYRKSA-N 190.758 4.610 50 10 AJGE CCCC[C@@](CC)(CCl)CCC 85043818 OJMMKKFGJIHYES-NSHDSACASA-N 190.758 4.612 50 10 AJGE CCC[C@H](CC)CCCCCCl 2242050132 IZOFETPGYCIFIL-NSHDSACASA-N 190.758 4.612 50 10 AJGE CC=C(CC)C[C@@H](Cl)CCCC 1881432927 AKHVPIOXCBPDMU-NSHDSACASA-N 188.742 4.530 50 10 AJGE CCC(CC)CCC[C@H](Cl)CC 128714469 NGMKLBGUEVZIOA-LLVKDONJSA-N 190.758 4.610 50 10 AJGE CCCC[C@H](CC)C[C@@H](Cl)CC 300734609 FVBHQXCTBHOCLO-QWRGUYRKSA-N 190.758 4.610 50 10 AJGE CCC[C@H](Cl)C[C@H](CC)CCC 1893781484 QWGNRVCQMMXJNT-MNOVXSKESA-N 190.758 4.610 50 10 AJGE CCCCCCC(C)=C(C)CCl 1914069129 QXUUMFZEQWSUER-UHFFFAOYSA-N 188.742 4.532 50 10 AJGE CCCCCCC[C@H](C)CCCl 1880746024 IMRJLGPGPVNEQR-NSHDSACASA-N 190.758 4.612 50 10 AJGE CC[C@H](Cl)CCCCCC(C)C 166197725 NKPORDDERZLNGT-NSHDSACASA-N 190.758 4.610 50 10 AJGE C=C(C)CCCCC[C@@H](Cl)CC 2241950826 UBRXSHNYEZWGNX-NSHDSACASA-N 188.742 4.530 50 10 AJGE CCC[C@@H](CC)CC[C@H](Cl)CC 1893783536 RIUWFXKINYHWGW-GHMZBOCLSA-N 190.758 4.610 50 10 AJGE CCCCCCCCCCC=CC#N 1857742932 WKSPQBFDRTUGEF-UHFFFAOYSA-N 193.334 4.597 50 10 AJGE CCCCCCCCC=CCCl 1912111035 YOWRXGYJBUMGRR-UHFFFAOYSA-N 188.742 4.532 50 10 AJGE CCCCCCC[C@@H](Cl)CCC 109315890 KESDBQQEOYHYDA-NSHDSACASA-N 190.758 4.754 50 10 AJGE CCCC(=CCCCCl)CCC 218056115 KWJPOPMMBFUEMR-UHFFFAOYSA-N 188.742 4.532 50 10 AJGE C[C@H](Cl)CCCCCC(C)(C)C 300749199 FMLNGHHQMMEWGP-JTQLQIEISA-N 190.758 4.610 50 10 AJGE CCCCCCC[C@@H](C)CCCl 1880746023 IMRJLGPGPVNEQR-LLVKDONJSA-N 190.758 4.612 50 10 AJGE CCCC[C@@H](CC)CC[C@@H](C)Cl 82438643 MUOSHYYCOGVLIQ-GHMZBOCLSA-N 190.758 4.610 50 10 AJGE CC/C=C\[C@H](Cl)CCCCCC 307885809 KITRKSHGHDLSLE-WDDYJBPVSA-N 188.742 4.530 50 10 AJGE CCC[C@H](Cl)CCC(CC)CC 87175163 OHZSIQFKAVUFDR-NSHDSACASA-N 190.758 4.610 50 10 AJGE CCC[C@H](Cl)CC[C@H](C)CCC 82438843 IIIAVANQYIBKOD-MNOVXSKESA-N 190.758 4.610 50 10 AJGE CCCCC[C@@H](Cl)CC(C)(C)C 225707136 MKIQPSVPNRKQEE-SNVBAGLBSA-N 190.758 4.610 50 10 AJGE CCCCC[C@@H](Cl)C(CC)CC 1953635083 XJAYTQMGAOEIRM-LLVKDONJSA-N 190.758 4.610 50 10 AJGE CCCCCC[C@@H](C)C[C@@H](C)Cl 82812650 QKXKJSGGDIDGBZ-GHMZBOCLSA-N 190.758 4.610 50 10 AJGE CCCCC[C@@H](Cl)CCC(C)C 300816091 ZIAJXNOJIGULFQ-LLVKDONJSA-N 190.758 4.610 50 10 AJGE CCCC[C@H](Cl)CC(CC)CC 1933349848 FIXFDECSTILMDI-NSHDSACASA-N 190.758 4.610 50 10 AJGE CCCCC[C@H](C)[C@H](Cl)CCC 212599298 GLTTVOCVGPTRAK-WDEREUQCSA-N 190.758 4.610 50 10 AJGE CC=CCCCCC[C@@H](Cl)CC 1880804637 FHUUWHGPTKGFKQ-NSHDSACASA-N 188.742 4.530 50 10 AJGE CCCCCC[C@@H](Cl)CC(C)C 87523820 JHOVGKCNTIPBGP-LLVKDONJSA-N 190.758 4.610 50 10 AJGE CCC[C@H](C)CCC[C@H](Cl)CC 70789281 QHSAIMXCQNTXRR-WDEREUQCSA-N 190.758 4.610 50 10 AJGE CCCC/C=C\[C@H](Cl)CCCC 384227560 VTYKWIATEGFDKG-HIJJYWJESA-N 188.742 4.530 50 10 AJGE CCCC[C@@H](Cl)CC(C)(C)CC 1933351291 UADHQDNLVFEZAU-SNVBAGLBSA-N 190.758 4.610 50 10 AJGE CCC[C@H](Cl)CCC[C@H](C)CC 70787119 WXFBRUQWDGRCJO-MNOVXSKESA-N 190.758 4.610 50 10 AJGE CCCCCC[C@H](Cl)[C@H](C)CC 300815325 ZCFFIQQIFLJUHW-MNOVXSKESA-N 190.758 4.610 50 10 AJGE CCC[C@H](CC)CC[C@H](Cl)CC 1893783539 RIUWFXKINYHWGW-WDEREUQCSA-N 190.758 4.610 50 10 AJGE CCC[C@H](Cl)CCCC(C)(C)C 71111445 PLAUFNZWXUWLQG-JTQLQIEISA-N 190.758 4.610 50 10 AJGE C=CCCCCCCC[C@H](C)Cl 235500112 QIXFQRQXCBXTPA-NSHDSACASA-N 188.742 4.530 50 10 AJGE CCC(C)(C)CCCC[C@@H](C)Cl 696801183 FHUKIUCMAANCCC-SNVBAGLBSA-N 190.758 4.610 50 10 AJGE CCCCCC[C@@H](C)[C@@H](Cl)CC 82449003 PACCLSWDCJCMAL-MNOVXSKESA-N 190.758 4.610 50 10 AJGE C=C(CC)CCC[C@@H](Cl)CCC 85071324 DIUZGFWSUPXCNG-NSHDSACASA-N 188.742 4.530 50 10 AJGE CCC(CC)CCCC[C@@H](C)Cl 1887772112 SHJNXOXHIDNGRZ-SNVBAGLBSA-N 190.758 4.610 50 10 AJGE CC(C)CCCCCC[C@@H](C)Cl 383109381 HNAZCZCLDPUJMN-LLVKDONJSA-N 190.758 4.610 50 10 AJGE CC[C@H](Cl)CCCCC=C(C)C 697560432 CIMJBJQTNXIAPX-NSHDSACASA-N 188.742 4.530 50 10 AJGE CCC[C@H](Cl)CCC(C)(C)CC 696706500 ZPSMDJVOPHCIMQ-JTQLQIEISA-N 190.758 4.610 50 10 AJGE CC(C)CCCCCCCCCl 383085100 AUNPXYUEVCHBBT-UHFFFAOYSA-N 190.758 4.612 50 10 AJGE CCCCC[C@H](Cl)c1ccccc1 71086538 ZTKUNZYDCMRWGS-LBPRGKRZSA-N 196.721 4.547 50 10 AJGE CCC[C@H](CC)C[C@H](Cl)CCC 1893781486 QWGNRVCQMMXJNT-WDEREUQCSA-N 190.758 4.610 50 10 AJGE C/C=C\CCCCCCCCCl 208162146 ZVGBBMCSRMNERB-IHWYPQMZSA-N 188.742 4.532 50 10 AJGE CCCC[C@H](Cl)CCC(C)(C)C 300772277 QQQMTDMTHLFQGJ-JTQLQIEISA-N 190.758 4.610 50 10 AJGE CCCCCCCC[C@H](Cl)CC 109316042 WFWKYUPUAQYIJN-LLVKDONJSA-N 190.758 4.754 50 10 AJGE CC[C@@H](Cl)CCC(C)(CC)CC 701107270 RZHAOPWKLRGOPR-SNVBAGLBSA-N 190.758 4.610 50 10 AJGE CCCCCCC/C(C)=C\CCl 216324182 VAJIKHCXLGDAFK-LUAWRHEFSA-N 188.742 4.532 50 10 AJGE CCC[C@@H](Cl)CC(C)(CC)CC 1933624207 ISZGTWHXXFUERQ-SNVBAGLBSA-N 190.758 4.610 50 10 AJGE CCCCCC[C@H](CC)[C@@H](C)Cl 71111214 SCAHSZOVRCAWEQ-MNOVXSKESA-N 190.758 4.610 50 10 AJGE CCCC[C@@H](Cl)CC[C@H](C)CC 1933350293 JQWABTRAYCDQIM-GHMZBOCLSA-N 190.758 4.610 50 10 AJGE CCCCCCCC/C=C\CCl 168675420 YOWRXGYJBUMGRR-KTKRTIGZSA-N 188.742 4.532 50 10 AJGE 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