Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MolPort-001-742-411	1	C[C@@]12C[C@]3(CCC4[C@](C)(CO)CCC[C@@]4(C)C3CC1)C=C2
MCULE-1285320299	1	[C@@]12(C)CCC[C@@](C)(CO)C1CC[C@@]13C[C@](C=C1)(C)CCC32
MolPort-006-709-371	0.96	C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2
MolPort-046-764-556	0.96	C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@H]1CC=C2
MolPort-035-706-366	0.96	CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@]2(C)CC1
MolPort-046-766-184	0.96	C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4CC(O)CC[C@]34C)[C@H]1CC=C2
MolPort-006-133-148	0.93	CC(O)C(C)CCC1CC=C(C)C1(C)C
MCULE-2672638007	0.90	C(O)(C)(C)[C@@H]1CC[C@H](C)C2CC[C@H](C)C=2C1
MCULE-7790352459	0.90	C[C@@]1([C@H](CC2CCCC=2)CCCC1)O
MCULE-1536375497	0.90	CC1(C(CC2CCCC=2)CCCC1)O
MolPort-003-929-356	0.90	C[C@H]1CCC2=C1C[C@@H](CC[C@@H]2C)C(C)(C)O
MolPort-035-706-315	0.89	C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC=C1C
MolPort-003-925-568	0.89	CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-039-338-134	0.89	CC1(C)CC[C@]2(C)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)=C2C1
MolPort-003-892-645	0.89	C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C
MolPort-028-754-127	0.89	CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1
MolPort-039-338-300	0.89	CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1
MCULE-7089035597	0.89	C12=CCC3(C(C)(CCC4([H])C(C(O)CCC34C)(C)C)C1(C)CCC1(C)CCC(C)C(C)C21[H])[H]
MCULE-2960240255	0.89	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-3247130765	0.89	OC1CC(CC2CC=CCC2)CCC1
MCULE-1097149426	0.89	OC1C(CC2CC=CCC2)CCCC1
MCULE-6689462252	0.89	OCCCC1C2C=CC(CC2)C1
MCULE-1916450603	0.89	C(CCCCCCCCO)=CCCCCCCCCO
MCULE-7776107404	0.89	C(CO)CCCCCCC=CCCCCCCCC
MCULE-6860357182	0.89	C(CC)=CCCCCCCCCCCO
MCULE-4623064101	0.89	CCCCCCCCC=CCCCCCCCCCCCCO
MCULE-5459783064	0.89	C(CCCCCCCO)=CCCCCCCCO
MCULE-5812699460	0.89	OCC1(CCCCC1)CC1CC=CC1
MCULE-1321155051	0.89	CCCCCCCC/C=C\CCCCCCCCO
MolPort-046-792-964	0.89	CCCCCCCCCC\C=C/CCCCCCCCO
MolPort-046-589-793	0.89	CCCC\C=C/CCCCCCCCCCCCO
MolPort-002-511-086	0.89	CC\C=C\CCCCCCCCCCO
MolPort-003-959-163	0.89	CCCCCC\C=C/CCCCCCCCO
MolPort-003-931-111	0.89	CCCCCCCC\C=C/CCCCCCCCO
MolPort-006-128-344	0.89	CCC\C=C/CCCCCCCO
MolPort-006-131-022	0.89	CCCC\C=C/CCCCCCCCCCO
MolPort-003-721-217	0.89	CCCC\C=C\CCCCCCO
MolPort-003-987-053	0.89	CCCCCCCC\C=C/CCCCCCCCCCCCO
MCULE-5000750749	0.87	C1C2C3C(C4CC3C(O)C4)C(C2)C=1
MolPort-046-764-451	0.86	[2H]C([2H])([2H])C([2H])([2H])[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@]12C
MolPort-044-637-544	0.86	C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)C5CC[C@@]34C)[C@@H]2[C@H]1C
MolPort-039-339-171	0.86	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C2CC[C@@]2(C)[C@@H]3C[C@](C)(CO)CC[C@]3(C)CC[C@]12C
MolPort-002-527-314	0.86	CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC4
MolPort-046-690-337	0.86	C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-052-639	0.86	CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-002-529-788	0.86	CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)C2C1)[C@@]1(C)CCC(O)C(C)(C)C1CC4
MolPort-002-911-100	0.86	CC12CCC3C(CCC4=CCCCC34)C1CCC2O
MCULE-7023706443	0.86	C1C(O)C(C)(C)C2CC=CCC2(C)C1
MCULE-4780950529	0.86	[H]C12CCCC=C1CCC1C3CCC(O)C3(C)CCC21
MCULE-3236832984	0.86	C12(C)C(C(C)CCCO)CCC1C1C(CC2)C2(CCCCC2C=C1)C
MCULE-5946438019	0.86	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-1095982134	0.86	[H]C12CC(O)CCC1(C)C1C=CC3(C)C(CCC3C(C)CCCO)C1CC2
MCULE-5100609642	0.86	[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-1038909539	0.86	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-2215895979	0.86	C1=C(C)CCC(C)(CCC(CC)O)C1C
MCULE-7502094563	0.86	OC1(CCCCC1)CC1CC=CC1
MCULE-1091603091	0.86	C1=C(C)CC[C@@](C)(CCC(C)O)C1C
MCULE-7590026618	0.86	CC1C(CC2CC=CC2)(O)CCCC1
MCULE-6005158959	0.86	CC1CC(CC2CC=CC2)(O)CCC1
MolPort-035-862-149	0.86	OCC1CCC=CCC1
MolPort-044-729-335	0.86	OCC1CCC\C=C/CC1
MolPort-002-507-443	0.86	CCC(O)CCC1(C)CCC(C)=CC1C
MolPort-002-511-836	0.86	CC(O)CC[C@]1(C)CCC(C)=CC1C
MolPort-002-511-854	0.86	CCC(O)CC[C@]1(C)CCC(C)=CC1C
MolPort-003-960-121	0.85	CC\C=C/CCCCCO
MCULE-8949375623	0.85	C/C(/C)=C/CCC1CC(O)CCC1
MolPort-039-338-446	0.83	CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2C1
MolPort-006-169-225	0.83	CC(CCC=C(C)C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3
MolPort-046-790-358	0.83	C[C@@H](CCC=C(C)C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
MolPort-039-338-728	0.83	C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-039-194-134	0.83	CCC(\C=C\C(C)C1CC[C@H]2C3=CC[C@H]4CC(O)CC[C@]4(C)C3CC[C@]12C)C(C)C
MolPort-002-506-872	0.83	C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3
MolPort-046-687-421	0.83	CC(C)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C
MolPort-004-956-484	0.83	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-027-836-465	0.83	C[C@H](CCC=C(C)C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
MolPort-000-146-138	0.83	C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
MolPort-002-525-071	0.83	C\C=C(\CC[C@@H](C)[C@H]1CCC2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C
MolPort-028-599-899	0.83	CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
MolPort-028-599-898	0.83	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@H]21
MolPort-027-945-607	0.83	CC(CCC=C(C)C)C1CCC2(C)C3=C(CCC12C)C1CCC(O)C(C)(C)C1CC3
MolPort-035-706-400	0.83	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@H]21
MolPort-039-338-835	0.83	C\C=C(\CC[C@@H](C)[C@H]1CC[C@H]2C3=CCC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-044-562-373	0.83	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-027-637-273	0.83	CC1=C2C[C@@H](CC[C@]2(C)CCC1)C(C)(C)O
MolPort-046-683-361	0.83	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-029-887-078	0.83	CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-003-986-853	0.83	C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)CC=C
MolPort-039-338-516	0.83	C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
MolPort-035-706-287	0.83	CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-019-937-479	0.83	CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
MolPort-003-959-866	0.83	C[C@@H]1CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C
MolPort-035-706-324	0.83	CC(C)[C@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C
MolPort-046-793-116	0.83	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-037-962-730	0.83	OCC1CCCCC=C1
MolPort-003-925-627	0.83	CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MCULE-1620592725	0.83	C12=CCC3(C(C)(CCC4([H])C(C(O)CCC34C)(C)C)C1(C)CCC1(CO)CCC(C)C(C)C21[H])[H]
MCULE-9666470335	0.83	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-2778793698	0.83	C12(C)CCC(C(C)CC/C=C(\C)/C)C1(C)CCC1C3C(C(C)(C)C(CC3)O)CCC2=1
MCULE-6577726631	0.83	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-7682763192	0.83	[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-2856968398	0.83	C1=CC2C3C4C(C(CCO)C13)C=CC4C2CCO
MCULE-5010058438	0.83	[H]C12CCCC=C1CCC1C3CCC(CC=C)(O)C3(C)CCC21
MCULE-8719465843	0.83	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-3918504016	0.83	[C@@]12([H])CC[C@@](O)(CC=C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]
MCULE-6692951185	0.83	[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-5494176046	0.83	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-9808647935	0.83	[H]C12C(C)(CCC(O)C1)C1(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2)[H]
MCULE-6927409255	0.83	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-5371316798	0.83	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-6049121935	0.83	[H]C12C(C)(CCC(O)C1)C1(CCC3(C)C(C(C)CCC(C)C(C)C)CCC3C1=CC2)[H]
MCULE-5127489047	0.83	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-9083020972	0.83	C1C[C@@]2(C)CC[C@@H](C(O)(C)C)CC2=C(C)C1
MCULE-6020208251	0.83	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-6807015507	0.83	OC1C(CC2CC=CCC2)CCC1
MCULE-2997369368	0.83	CC1(CC(O)CC1)CC1CC=CCC1
MCULE-7656108129	0.83	CC1C(CC2CC=CCC2)CCC1O
MCULE-7060414091	0.83	OCC1(CC=CC1)CC1CCCCC1
MCULE-3919531574	0.83	C1CC(CCC=1C)C(C)CO
MCULE-2184969189	0.83	OCC1(CC2C(C2)C1)CC1CC=CC1
MCULE-5343555845	0.83	OC1CC(CC2CC=CCC2)CC1
MolPort-046-589-846	0.82	CCCCCCCC\C=C/CCCCO
MolPort-046-761-951	0.82	C\C=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-6877075574	0.82	CC1(CC(O)CC1)CC1CC=CC1
MCULE-1988512755	0.82	C/C(/C)=C/CCC1C(O)(C)CCCC1
MCULE-3634019791	0.82	CC1CC(CC/C=C(\C)/C)C(O)CC1
MCULE-6145280739	0.82	OC1C(CC2CC=CC2)CCCCC1
MCULE-6625698081	0.82	CC1C(CC2CC=CC2)CCC1O
MCULE-6675572295	0.82	C/C(/C)=C/CC[C@H]1[C@@](O)(C)CCCC1
MCULE-3492445798	0.82	C/C(/C)=C/CCC1C(O)CCCC1
MCULE-5887388555	0.81	C(=C/CCC(C)CC(O)C)(/C)\C
MCULE-1747951282	0.81	C1CC23C=CC(O)([H])C2(CCCC3)CC1
MCULE-8779705243	0.81	OC(C12CCCC1C2)CC1CCCC=1
MCULE-7419704729	0.81	C123C=CC1(CCC(O)C2)CCCC3
MCULE-2525177975	0.81	C1=CC2C3C4C(C(CO)C13)C=CC4C2CO
MCULE-1242105368	0.81	C1C[C@@]2([H])[C@H](C)CC[C@@](O)(C(C)C)[C@@]2([H])C=C1C
MCULE-7081301004	0.81	OC[C@H]1[C@H]2C=C[C@H](CC2)C1
MCULE-6002311928	0.81	C[C@@H]([C@@H]1[C@]2(C)C(=C3[C@H](CC2)[C@]2(C)[C@H](C([C@@H](O)CC2)=C)CC3)CC1)CC[C@H](C(C)C)C
MCULE-7115760688	0.81	OC(C1C2(CC2)C1)CC1CCCC=1
MolPort-042-621-338	0.81	OC[C@@H]1C[C@H]2CC[C@@H]1C=C2
MolPort-002-507-656	0.81	OC1CCCCC1C1=CCCCC1
MolPort-035-706-408	0.81	CC1(C)CC[C@]2(CO)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1
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MolPort-046-793-264	0.61	CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]12C
MolPort-046-773-769	0.61	[2H]C([2H])([2H])C([C@@H](C)\C=C\[C@@H](C)C1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)C([2H])([2H])[2H]
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MolPort-003-666-072	0.61	CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
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MolPort-046-761-852	0.61	[2H]C([2H])([2H])C(O)([C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C/C=C1C[C@@H](O)C[C@H](O)C1)C([2H])([2H])[2H]
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