Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MolPort-039-141-968	1	C[C@@]1(CO)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)O[C@@](C)(CC[C@H]21)C=C
MolPort-042-675-338	1	CC1(C)C(O)CCC2(C)C1CCC1(C)OC(C)(CCC21)C=C
MolPort-042-675-338	1	CC1(C)C(O)CCC2(C)C1CCC1(C)OC(C)(CCC21)C=C
MolPort-039-141-968	1	C[C@@]1(CO)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)O[C@@](C)(CC[C@H]21)C=C
MolPort-001-936-682	1	CC1(C)CCCC2(C)C1CCC1(C)OC(C)(CCC21)C=C
MCULE-7081301004	1	OC[C@H]1[C@H]2C=C[C@H](CC2)C1
MCULE-6240066964	0.97	C1C(C)=CC[C@H](C(O)(C)C)C1
MCULE-6184897823	0.97	C(O)(C)(C)[C@@H]1CC=C(C)CC1
MCULE-9083020972	0.97	C1C[C@@]2(C)CC[C@@H](C(O)(C)C)CC2=C(C)C1
MCULE-7760721294	0.97	C1CC2(CCCCC2(CO)C(C)C=1)CO
MCULE-3206249578	0.97	C1CC(CCC=1C)C(C)(CC/C=C(\C)/C)O
MCULE-4154375600	0.97	C12(C(CC=CC1)(CO)CCCC2)CO
MCULE-1620592725	0.97	C12=CCC3(C(C)(CCC4([H])C(C(O)CCC34C)(C)C)C1(C)CCC1(CO)CCC(C)C(C)C21[H])[H]
MCULE-9798755896	0.97	C1CC(CCC=1C)C(C)(C)O
MCULE-7846055076	0.97	C1C[C@@]([H])(CCC=1C)[C@@](C)(CC/C=C(/C)\C)O
MCULE-7682763192	0.97	[C@@]12(C)CC[C@@]3(CO)CC[C@@H](C)[C@H](C)[C@@]3([H])C1=CC[C@]1([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@]12C
MCULE-8948864854	0.97	C(O)(C)(C)[C@H]1CC=C(C)CC1
MCULE-8414811975	0.97	CC(C)([C@H]1CCC(C)=CC1)O
MCULE-7446284675	0.97	C1=CC2CCC1C(CO)C2CO
MCULE-9174314602	0.97	C1C[C@H](CCC=1C)[C@](C)(CC/C=C(\C)/C)O
MCULE-6626480267	0.97	C1CC2C(O)C3CC=CCC3C(O)C2CC=1
MCULE-7364976100	0.97	C1[C@@H](O)[C@]2(C)CC=C(C(C)C)C[C@@]2([H])[C@@](C)(O)C1
MCULE-6498196947	0.94	C12C=CC1C1CC(O)C12
MCULE-7023706443	0.93	C1C(O)C(C)(C)C2CC=CCC2(C)C1
MCULE-5946438019	0.93	C[C@]12C3[C@@H]([C@@]4([C@@H](CC=3)C(C)(C)[C@H](O)CC4)C)CC[C@]1(C)[C@@H]1[C@@H](C)[C@H](C)CC[C@]1(C)CC2
MCULE-7419704729	0.93	C123C=CC1(CCC(O)C2)CCCC3
MCULE-5100609642	0.93	[C@]12(C)CC[C@@]3([C@@]([H])(CC(CC3)(C)C)[C@]1(C)CCC1[C@@]3(C(C(C)(C)[C@H](CC3)O)CCC2=1)C)C
MCULE-2526639251	0.93	[C@]1(C)(C(CC=C)O)CCC(=CC1C)C
MCULE-3790245367	0.93	C1(CO)(CO)C(C)CC(=CC1C)C
MCULE-6148148354	0.93	C1(C)C(C(O)C2(CO)C(C)CC=CC2)CC=CC1
MCULE-3038839535	0.93	C12C(C)(C)CCCC=1CC(C)C(CO)(CO)C2
MCULE-6377131123	0.93	C1CC(CO)CCC=1C
MCULE-2001524479	0.91	C[C@@]12[C@H]3CC=C4[C@H]5CC(C)(C)[C@@H](O)[C@H](O)[C@]5(CO)[C@H](O)C[C@@]4(C)[C@]3(C)CCC1[C@](CO)(C)[C@@H](O)CC2
MCULE-2989209658	0.90	C1(CO)(CO)CC=C(CC1C)C
MCULE-6020208251	0.90	O[C@@H]1C(C)(C)[C@@]2([H])[C@](C3CC[C@]4(C)[C@@](CC[C@H]4[C@H](C)CC/C=C(/C)\C)(C)C=3CC2)(C)CC1
MCULE-2960240255	0.90	O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C4=CC[C@@]5(C)CCC(C)(C)C[C@H]5[C@]4(C)CC[C@H]23)C1(C)C
MCULE-6927409255	0.90	C12CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)C=1CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CC/C=C(/C)\C
MCULE-9426101692	0.90	OC(C1CC=CCC1)CC1CC=CC1
MCULE-7089035597	0.90	C12=CCC3(C(C)(CCC4([H])C(C(O)CCC34C)(C)C)C1(C)CCC1(C)CCC(C)C(C)C21[H])[H]
MCULE-9808647935	0.90	[H]C12C(C)(CCC(O)C1)C1(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2)[H]
MCULE-7790352459	0.90	C[C@@]1([C@H](CC2CCCC=2)CCCC1)O
MCULE-6689462252	0.90	OCCCC1C2C=CC(CC2)C1
MCULE-8152778304	0.90	C1(CO)(CO)CCC(=CC1)C
MCULE-1536375497	0.90	CC1(C(CC2CCCC=2)CCCC1)O
MCULE-6049121935	0.90	[H]C12C(C)(CCC(O)C1)C1(CCC3(C)C(C(C)CCC(C)C(C)C)CCC3C1=CC2)[H]
MCULE-6577726631	0.90	CC1([C@@]2([H])[C@](C3CC[C@@]4(C)[C@@](C)(CC[C@@H]4[C@@H](CCCC(C)C)C)C=3CC2)(C)CC[C@@H]1O)C
MCULE-6692951185	0.90	[C@@]12(C)CC[C@H]([C@H](C)CC/C=C(/C)\C)[C@@]1(C)CCC1[C@@]3([C@]([H])(C(C)(C)[C@H](CC3)O)CCC2=1)C
MCULE-5127489047	0.90	C12=CC[C@@]3([C@](C)(CC[C@H](O)[C@H]3C)C1CC[C@]1(C)[C@H](CCC12)[C@H](C)CCC(C(C)C)=CC)[H]
MCULE-1097149426	0.90	OC1C(CC2CC=CCC2)CCCC1
MCULE-3247130765	0.90	OC1CC(CC2CC=CCC2)CCC1
MCULE-7281449678	0.90	C1(CC/C=C(/C)\C)CC(C)C(CC=1)CO
MCULE-3919531574	0.90	C1CC(CCC=1C)C(C)CO
MCULE-5494176046	0.90	O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@@H](CC[C@]5(C)[C@H]4CC[C@H]23)O)C1(C)C
MCULE-8719465843	0.90	C12(C)CCC([H])(C(C)CC/C=C(\C)/C)C1(C)CCC1C3(C([H])(C(C)(C)C(CC3)O)CCC2=1)C
MCULE-7323379876	0.90	C1C2(CO)CCC2(CO)CC=C1
MCULE-5371316798	0.90	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@H](C)C(C)C)C)CC[C@@]4([H])C3=CC[C@@]2([H])C[C@H]1O
MCULE-9554247289	0.90	C1CC2(CO)CC(C)(C)CC2(CO)CC=1
MCULE-2979260832	0.90	C1CC2(CO)CCCC2(CO)CC=1
MCULE-2778793698	0.90	C12(C)CCC(C(C)CC/C=C(\C)/C)C1(C)CCC1C3C(C(C)(C)C(CC3)O)CCC2=1
MolPort-039-014-001	0.89	OCC12CCC(CC1)(OC2)C=C
MolPort-039-014-001	0.89	OCC12CCC(CC1)(OC2)C=C
MCULE-7341595899	0.88	C1(CO)(CO)CC=C(CC1C)CC/C=C(\C)/C
MolPort-046-687-480	0.88	C=CC1CCCCO1
MolPort-046-687-480	0.88	C=CC1CCCCO1
MCULE-6567295142	0.88	C1=CC2C3C4C5C6(C(O)CC5C5CC(O)C26C54)C13
MCULE-3836274754	0.88	C12CC(C=C1)C(CO)(CO)C2
MCULE-5776284238	0.88	C12CC(C=C1)C(CO)C2CO
MCULE-2870645391	0.88	C12(C3C4C5C1C=CC5C2(CO)C4C=C3)CO
MCULE-4436654330	0.88	C1=CC2C3CC3C1C(CO)C2CO
MCULE-5954084349	0.87	CC(C(CC1CC=CCC1)O)(O)C
MCULE-1721479473	0.87	C1C(C)=CCC(C(O)(C)C)CCC(C)=CCCC(C)=CC1
MCULE-1038909539	0.87	C1C[C@]2(C)C3CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CCC2[C@](CO)(C)[C@@H]1O
MCULE-5000750749	0.87	C1C2C3C(C4CC3C(O)C4)C(C2)C=1
MCULE-3236832984	0.87	C12(C)C(C(C)CCCO)CCC1C1C(CC2)C2(CCCCC2C=C1)C
MCULE-8650890619	0.87	CC1(C(C(CC2CC=CCC2)O)C1)C
MCULE-4780950529	0.87	[H]C12CCCC=C1CCC1C3CCC(O)C3(C)CCC21
MCULE-1095982134	0.87	[H]C12CC(O)CCC1(C)C1C=CC3(C)C(CCC3C(C)CCCO)C1CC2
MCULE-4985122843	0.87	C1C([H])(C)C([H])(CO)C([H])(CO)C([H])(C)C=1
MCULE-6288478354	0.86	C1C[C@@]2(C)CC/C(=C(\C)/C)/C[C@]2([H])[C@@](C)(O)C1
MCULE-9677910881	0.86	CC1CC(CC/C=C(\C)/C)(O)CCC1
MCULE-1091603091	0.86	C1=C(C)CC[C@@](C)(CCC(C)O)C1C
MCULE-2532107825	0.86	C/C(/C)=C/CCC1(CCCCC1)O
MCULE-6376135384	0.86	C1(/CCC(CC/1)(C)O)=C(\C)/C
MCULE-2215895979	0.86	C1=C(C)CCC(C)(CCC(CC)O)C1C
MCULE-9048517900	0.86	C1C=CCC(CO)(C)C1
MCULE-7534551137	0.86	CC1C(CO)CC=CC1
MCULE-3304428106	0.86	CC1CCC(CC/C=C(\C)/C)(O)CC1
MCULE-7843809650	0.86	OCC1CC=CCC1
MCULE-8065006413	0.86	CC1C(CC/C=C(\C)/C)(O)CCCC1
MCULE-9102303739	0.85	C12C3CC(C=C3)C1[C@@H]([C@](C)(O)C2)O
MCULE-5803228201	0.85	[C@@H]1(O)C(C2[C@@]([H])(CC1)[C@@]1(C)[C@]([H])([C@]3([C@@](C[C@H]1O)(C)[C@@H]([C@H](C)CC[C@@H](O)C(O)(C)C)CC3)C)CC=2)(C)C
MCULE-9051465595	0.85	C1(C2C=CC(C34C=CC23CC=CC4)C1CO)CO
MCULE-5781346358	0.85	C[C@@]1([C@@H](O)CO)C=C2CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@@H]2CC1
MCULE-4979255634	0.85	C1C2C3C=CC3C(C(CO)C2CO)C=1
MCULE-9912389313	0.85	C1CC2(CO)C(CO)C(C)=CCC2C(CO)(C)C1
MCULE-2026458872	0.85	C12(C)CC(CC(C)(CO)C1([H])CCC1=CC(C)(C(O)CO)CCC21[H])O
MCULE-9232962439	0.85	C1(CC(CO)CC(CO)C=1)C(C)(C)C
MCULE-9469566080	0.85	C[C@@]12CC[C@@H](O)C(C)(C)[C@@]1([H])CCC1=C[C@@](CC[C@@]21[H])(C)[C@H](CO)O
MCULE-7493111413	0.85	C12(O)CC=CCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1CC2
MCULE-1506005197	0.85	[C@H]1(O)C[C@@]2(C)[C@]3([H])CC[C@@]([C@@H](O)CO)(C)C=C3CC[C@]2([H])[C@](C)(CO)C1
MCULE-3659196019	0.85	C1CC23CC=CCC2(C(O)C(O)C3)CC=1
MCULE-8156503872	0.85	OC[C@](O)([C@]1(CC[C@@]2(C(CC[C@]3([C@]2(C[C@@](C[C@]3(CO)C)(O)[H])C)[H])=C1)[H])C)[H]
MCULE-9666470335	0.84	O[C@@]1(CC=C)CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]
MCULE-8722569228	0.84	C1CC2(C)C(CO)C(C)=CCC2C(CO)(C)C1
MCULE-4778747911	0.84	C1C(O)C2(C)CCC(C(O)(C)C)C=C2C(C)C1
MCULE-2581880996	0.84	C(C)(C)(O)C(O)CC/C(/C)=C/CCC(C)(O)C=C
MCULE-3918504016	0.84	[C@@]12([H])CC[C@@](O)(CC=C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]
MCULE-5010058438	0.84	[H]C12CCCC=C1CCC1C3CCC(CC=C)(O)C3(C)CCC21
MCULE-9145826081	0.84	C1=CC2CC(O)C3C(C)(O)CC1C23
MCULE-2672638007	0.84	C(O)(C)(C)[C@@H]1CC[C@H](C)C2CC[C@H](C)C=2C1
MCULE-3092137801	0.84	C(/C=C(\C)/CC/C=C(\C)/CCC(O)C(O)(C)C)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C
MCULE-1585616264	0.84	C1[C@@H](O)[C@]2(C)CC[C@]([H])(/C=C(/C)\C)[C@@]2([H])[C@](O)(C)C1
MCULE-3107036474	0.84	C1(O)C2C(O)CC3C2C(C=C3)C1
MCULE-5459783064	0.83	C(CCCCCCCO)=CCCCCCCCO
MCULE-8308803305	0.83	C1=CCC(CO)([H])C(CO)([H])C1
MCULE-3492445798	0.83	C/C(/C)=C/CCC1C(O)CCCC1
MCULE-6675572295	0.83	C/C(/C)=C/CC[C@H]1[C@@](O)(C)CCCC1
MCULE-4914569425	0.83	C1CC(C)(CO)C(C)(CO)CC=1
MCULE-5501982482	0.83	[H]C12C3(C)CCC(O)CC3(O)CC=C1C1CCC(C(C)C=CC(C)C(C)C)C1(C)CC2
MCULE-7060414091	0.83	OCC1(CC=CC1)CC1CCCCC1
MCULE-4282189276	0.83	C1(O)CC2(C)C3CC(O)C4(C)C(C(CCC(O)C(O)(C)C)CO)CCC4(C)C=3CCC2C(C)(C)C1O
MCULE-1321155051	0.83	CCCCCCCC/C=C\CCCCCCCCO
MCULE-1988512755	0.83	C/C(/C)=C/CCC1C(O)(C)CCCC1
MCULE-6807015507	0.83	OC1C(CC2CC=CCC2)CCC1
MCULE-2186753253	0.83	C1(CCC=CC1)(CO)CO
MCULE-5343555845	0.83	OC1CC(CC2CC=CCC2)CC1
MCULE-6700435672	0.83	C1CC(CO)(C([H])(CO)CC=1)C
MCULE-7656108129	0.83	CC1C(CC2CC=CCC2)CCC1O
MCULE-5994930115	0.83	NOCC1C2C=CC(CC2)C1
MCULE-1567541702	0.83	C1C=CCC(CO)(CO)C1C
MCULE-4623064101	0.83	CCCCCCCCC=CCCCCCCCCCCCCO
MCULE-1916450603	0.83	C(CCCCCCCCO)=CCCCCCCCCO
MCULE-5351377157	0.83	C/C(/C)=C/CCC1(C2CC(CC2)C1)O
MCULE-3634019791	0.83	CC1CC(CC/C=C(\C)/C)C(O)CC1
MCULE-7776107404	0.83	C(CO)CCCCCCC=CCCCCCCCC
MCULE-2997369368	0.83	CC1(CC(O)CC1)CC1CC=CCC1
MCULE-6860357182	0.83	C(CC)=CCCCCCCCCCCO
MCULE-6069203147	0.82	C1C(C(C)CCCC(C)C)C2(C)CCC3C(CC=C4C3(C)CCC(O)C4(C)C)C2C1
MCULE-8423145149	0.82	[C@@]12([H])CC[C@H]([C@H](C)CCCC(O)(C)C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H]
MCULE-1091799520	0.82	OC1([C@@H]2C=C[C@@H](C2)C1)CC1CC=CC1
MCULE-9819330201	0.82	[C@@]12([H])CC[C@H]([C@H](C)CCC[C@@H](C)CO)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H]
MCULE-5784478301	0.82	C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)CCCC(C)C
MCULE-1143033410	0.82	OC1(C2C=CC(C2)C1)CC1CC=CC1
MCULE-9644532124	0.82	[C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCC(O)C(C)C)CC3)CC=2
MCULE-4729152230	0.82	C12CCC(C(C)CCCC(C)C)C1(C)CCC1=C3CCC(O)CC3(C(O)CC21)C
MCULE-1713939889	0.82	C12CC(O)(C)CCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1CC=2
MCULE-1617847451	0.82	CCC1(C2C=CC(C2)C1)O
MCULE-7049960827	0.82	[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@]2([H])[C@]([H])(C)CC[C@@]([H])(CC)C(C)C)[H]
MCULE-2409753351	0.82	[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2[C@H](C)CC[C@@H](CC)C(C)C)[H]
MCULE-3060260292	0.82	CC(C1(C2C=CC(C2)C1)O)C
MCULE-5943346302	0.82	CCCC1(C2C=CC(C2)C1)O
MCULE-4587768251	0.82	[H]C12CC(O)CCC1(C)C1(C)C(O)CC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2
MCULE-1576185930	0.82	O[C@@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]21
MCULE-6265228650	0.82	C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)CCC(CC)C(C)C
MCULE-2244025879	0.82	CCC(C1(C2C=CC(C2)C1)O)CC
MCULE-7216680812	0.82	CC(CC(C1(C2C=CC(C2)C1)O)C)C
MCULE-6114329924	0.82	[C@H]1(O)C[C@]2([H])[C@@](C)(CC[C@@](O)(C=C)C)[C@H](C)CC[C@@]2(C)C(C)=C1
MCULE-8668421078	0.82	C/C(/C)=C/CCC1([C@@H]2C=C[C@@H](C2)C1)O
MCULE-8078256499	0.82	OC1(C2CCCC2)C2C=CC(C2)C1
MCULE-1910237865	0.82	[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CC[C@H](CC)C(C)C
MCULE-6358122731	0.82	CC(CC1(C2C=CC(C2)C1)O)C
MCULE-2519662703	0.82	CC(C1(C2C=CC(C2)C1)O)(C)C
MCULE-3563281112	0.82	CCC(C1(C2C=CC(C2)C1)O)C
MCULE-7237464277	0.82	CCCCC1(C2C=CC(C2)C1)O
MCULE-3433785012	0.82	CC(C)CC[C@@](O)([C@@](C)([C@]1(CC[C@@]2([C@@]1(CC[C@]1([C@]2(CC=C2[C@@]1(CC[C@](O)(C2)[H])C)[H])[H])C)[H])[H])[H])[H]
MCULE-3872755173	0.82	OC1(C2C=CC(C2)C1)CCC=C
MCULE-6413140986	0.82	[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2[C@H](C)CCCC(C)C)[H]
MCULE-6447505818	0.82	CCC(C(C1(C2C=CC(C2)C1)O)C)C
MCULE-5616063933	0.82	CC(CCC1(C2C=CC(C2)C1)O)(C)C
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