Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MolPort-002-506-968	1	CC(=C)C1CC=C(C)C(=O)C1
MolPort-002-507-612	1	CC(=C)[C@@H]1CC=C(C)C(=O)C1
MolPort-001-769-671	1	CC(=C)[C@H]1CC=C(C)C(=O)C1
MCULE-7861636306	1	C1(=O)C[C@@H](CC=C1C)C(C)=C
MCULE-1451736151	1	C1(C(=CC[C@H](C(C)=C)C1)C)=O
MCULE-7452592467	1	C1(=O)C[C@@H](CC=C1C)C(C)=C
MCULE-6744252540	1	C1(=O)CC(CC=C1C)C(C)=C
MolPort-046-147-057	0.97	CC(=C)[C@H]1CC(C)=C(C)C(=O)C1
MCULE-8192482534	0.94	O=C1C=CC2(C)C(C1)CC=CC2
MolPort-002-506-993	0.91	CC(=C)[C@H]1CCC(C=O)=CC1
MCULE-1776810440	0.91	C=C(C)[C@H]1CCC(C=O)=CC1
MCULE-2913420738	0.91	C(C)(=C)C1([H])CCC(=CC1)C=O
MCULE-8108304567	0.91	C/C(/C)=C/CCC1CC(C)(C)CC(=O)C=1
MCULE-8220979425	0.91	CC1CC(CC/C=C(\C)/C)=CC(=O)C1
MCULE-2280015640	0.91	C(C)(=C)[C@@]1([H])CCC(=CC1)C=O
MolPort-020-005-765	0.89	CC(=C)[C@@H]1CC[C@@]2(C)CCC(=O)C(C)=C2C1
MolPort-044-727-244	0.89	CC1(C)CCCC(=C)C11CCC(C=O)=CC1
MolPort-046-594-365	0.89	CC(=C)C1CCC2(C)CCC(=O)C(C)=C2C1
MCULE-9253654000	0.89	C1=CC2CC1C1C(=O)C=CC12
MCULE-7051793102	0.89	C1C[C@]2(C)CC[C@@H](C(C)=C)CC2=C(C)C1=O
MCULE-7083384019	0.89	CC1=C2C[C@H](C(=C)C)CC[C@@]2(C)CCC1=O
MCULE-4775236455	0.89	CC1(C2(CCC(C=O)=CC2)C(=C)CCC1)C
MCULE-5384019764	0.89	C12CC(CCC1(C)CCC(=O)C=2C)C(C)=C
MolPort-003-931-189	0.88	CC1=CC(C)(C)CCC1=O
MolPort-019-997-258	0.88	CC(C)C1CC=C(C)C(=O)C1
MCULE-3343421278	0.88	O=C1C=C(CC2CC=CCC2)CCC1
MCULE-8255659287	0.88	C1(=O)CCC(CC=C)(C)C=C1
MCULE-5881773205	0.88	CC1CC(CC2CC=CCC2)=CC(=O)C1
MCULE-1385714254	0.87	C123C4C5C6C(C1(C(=O)C=C2C)C5C=C4)C=CC36
MolPort-002-507-478	0.86	C[C@@H]1CC(=O)C=C2CC[C@H](C[C@@]12C)C(C)=C
MCULE-8690639813	0.86	[C@]12(C)[C@H](C)CC(C=C1CC[C@@H](C(C)=C)C2)=O
MCULE-3394759576	0.86	C1(=O)C=C2CC[C@@H](C(=C)C)C[C@@]2(C)[C@H](C)C1
MCULE-8519555544	0.86	C12(C)C(C)CC(C=C1CCC(C(C)=C)C2)=O
MCULE-1327216619	0.86	CC1(CC(CC2CC=CC2)=CC(=O)C1)C
MCULE-4900297288	0.86	CC1CC(CC2CC=CC2)=CC(=O)C1
MCULE-9637050612	0.86	O=C1CCC2C(=C1)CCC1(C)C2CC=CC1
MolPort-046-158-507	0.85	C[C@@H](CCC=C(C)C)[C@H]1CCC(C)=CC1=O
MolPort-002-506-951	0.85	CCC[C@@H]1CC(C)=CC(=O)C1
MolPort-006-110-398	0.85	CC(C)C1CCC(C)=CC1=O
MolPort-000-716-292	0.85	CC1CC(C)=CCC1\C=C\C(C)=O
MolPort-046-774-142	0.85	CCC1CC=CC(=O)C1
MolPort-000-787-941	0.85	CC1CC(C)=CC(C)C1\C=C\C(C)=O
MolPort-006-115-641	0.85	CCCC1CC(C)=CC(=O)C1
MolPort-046-025-087	0.85	CCC1=CCCCC1=O
MCULE-9392368882	0.85	C1=CC(CCC1(CCC)CCC)=O
MCULE-7174333293	0.85	C1C(C[C@@H](CC=1C)CCC)=O
MCULE-9290289108	0.85	C1(C)C(=O)C=CC(C(C)C)C1
MCULE-1887138472	0.85	O=C1C(C)C(CC)C(C)C(CC)=C1
MCULE-9551990259	0.85	CC1=CC(=O)CC(CC)C1
MCULE-9861301536	0.85	C1C(CC(CC=1C)CCC)=O
MCULE-4541255966	0.85	C(=CC(C)=O)C1C(C)CC(=CC1C)C
MCULE-6769530046	0.85	C(C1CC=C(CC1C)C)=CC(C)=O
MCULE-2488250148	0.85	C12C=CC(C34CC=CCC13C=C4)C1C(=O)C=CC(=O)C21
MCULE-4531694532	0.85	C1=CC2C3C=CC3C1C1C(=O)C=CC(=O)C12
MolPort-046-793-097	0.84	CC(=O)[C@H]1CC=C2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-746-923	0.83	CC(=O)C1CC=C(C)C(=O)C1
MolPort-002-506-958	0.83	CC(=O)C1C(=O)C=C(C)CC1(C)C
MolPort-000-706-765	0.83	CC1=CC(=O)C2CC1C2(C)C
MolPort-002-511-291	0.83	CC(C)C1CC(=O)C=C2CCCCC12
MolPort-001-790-211	0.83	O=C1CCC2CCCCC2=C1
MolPort-000-146-079	0.83	CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C
MolPort-038-386-020	0.83	CC(CC(=O)C=C(C)C)C1CCC(C)=CC1=O
MolPort-046-600-627	0.83	CC(=O)CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C
MolPort-039-052-668	0.83	CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-046-774-258	0.83	O=C1CCC2(CCCCCC2)C=C1
MolPort-020-173-604	0.83	O=C1CCC2(CCCCC2)C=C1
MolPort-019-992-002	0.83	O=C1CCC2(CCCC2)C=C1
MolPort-044-832-300	0.83	CC1(C)[C@@H]2C[C@H]1C(=O)C=C2
MolPort-035-706-207	0.83	CC(C)[C@H]1[C@H]2C=C(C)C(=O)C[C@H]2[C@H](C)CC1=O
MCULE-3857929176	0.83	O=C1C=C(CC2C3C=CC(CC3)C2)CC1
MCULE-8706542409	0.83	C12(C)C3C(C4C(C)(CC3)CCC=4)CCC1=CC(=O)CC2
MCULE-8099197121	0.83	C1(=O)C[C@@]2([H])[C@H](C)CC(=O)[C@@H](C(C)C)[C@@]2([H])C=C1C
MCULE-9740579162	0.83	C1(C(C)=O)CC(=O)C(C)=CC1
MCULE-7241385729	0.83	C1(=O)C=C(C)CC(C)(C)C1C(C)=O
MCULE-6489078705	0.83	C1CC2([H])C(=O)C=CC(=O)C2([H])CC=1
MCULE-1638755617	0.83	O=C(C)C1C(C=C(C)CC1)=O
MCULE-2344630269	0.83	C1(CCC(C)=O)=C(C)C(=O)CC2C(CCC[C@]12C)(C)C
MCULE-8599123114	0.83	C12(C)CCCCC1=C(C)C(=O)CC2
MCULE-3650003593	0.83	O=C1C=C(CC2CC=CCC2)CCCC1
MCULE-8950557153	0.83	C1(C)(C)[C@@H]2C[C@H]1C(=CC2=O)C
MCULE-5631441050	0.83	C12CCCCC1(C)CCC(=O)C=2
MCULE-1048579708	0.83	C12(C)CCCC(C)(C)C1=CC(=O)CC2
MCULE-7781678672	0.83	C12CCCCC1C(CC(=O)C=2)C(C)C
MCULE-5633160153	0.83	O=C1C=C(CC2CC=CC2)CC1
MCULE-1319324374	0.83	CC1CC=C(C(CC2CC=CC2)=O)CC1
MCULE-1282304829	0.83	C/C(/C)=C/CCC1CCCCC(=O)C=1
MCULE-3926742898	0.83	O=C1C=CC2(CCCCC2)CC1
MCULE-1142475318	0.83	C1(C)(C)C2CC1C(=CC2=O)C
MCULE-1925425954	0.83	C12CCCCC1CCC(=O)C=2
MCULE-1342617339	0.83	C1CC2C3CCCCC3=CC(=O)C2CC1
MCULE-3614421214	0.83	C1(C=O)=C(C)CCC(C(C)C)C1=O
MolPort-004-831-228	0.82	C\C=C\C(=O)C1C(C)C=CCC1(C)C
MolPort-000-701-433	0.82	CC1=CC(=O)CC(C)(C)C1
MolPort-001-794-308	0.82	CC1=C(C=O)C(C)(C)CCC1
MolPort-001-781-871	0.82	CC1=CCCCC1=O
MolPort-002-498-166	0.82	CC1(C)CCC(=O)C=C1
MolPort-009-680-198	0.82	CC1(C)CC=CC(=O)C1
MolPort-001-781-500	0.82	CC1CC(C)=CC(=O)C1
MolPort-006-111-488	0.82	CC(C)C1CCC(=O)C=C1
MolPort-044-615-516	0.82	CC(C)(C)C1CCC(=O)C=C1
MolPort-023-197-958	0.82	CCC1(C)CCC(=O)C=C1
MolPort-027-949-819	0.82	CCC1(CC)CCC(=O)C=C1
MolPort-022-056-577	0.82	CCC1=CC(=O)CCC1
MolPort-044-623-113	0.82	CCC1CCC(=O)C=C1
MolPort-046-792-980	0.82	CCCCCC\C=C1\CCCC1=O
MolPort-022-878-843	0.82	CC1CCC=CC1=O
MolPort-035-921-888	0.82	CC1(C)CCC=CC1=O
MolPort-042-620-286	0.82	CC1CCC(=O)C=C1
MolPort-042-624-003	0.82	CC1CC=CC(=O)C1
MolPort-003-846-085	0.82	[2H]C([2H])([2H])C1=C(C=O)C(C)(C)CCC1([2H])[2H]
MCULE-7819289735	0.82	C1(CCCC(C)=C1C=O)(C)C
MCULE-1064684832	0.82	C1(CCCC)C(=O)CC(C)(C)CC=1C
MCULE-4391727742	0.82	C1C(CC(CC=1C)C)=O
MCULE-7494382495	0.82	C1(C(C)C=CCC1(C)C)C(=O)C=CC
MCULE-5564101474	0.82	C1C(CC(CC=1C)(C)C)=O
MCULE-8149754044	0.82	C(C1=CC(C)CCC1)=O
MCULE-5173487034	0.82	C1C2CC(C=CC2=O)C(=O)C=1
MCULE-3774162320	0.82	C1(=O)CC(C)(C)CC=C1
MCULE-1811364024	0.82	C1(C)(C)C(=O)C=CCC1
MCULE-6245248136	0.82	C1(C)=CCCCC1=O
MCULE-5124770449	0.82	C1(=O)CCC(C)(C)C=C1
MCULE-8841120984	0.81	CC(CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)CC3)[H])([H])CC1)C)C
MolPort-003-892-348	0.81	CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-706-878	0.81	CC(=O)C12CC(C)=C(C)CC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
MolPort-000-146-137	0.81	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-847-259	0.81	CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-000-730-189	0.81	CC(C)CCCC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-002-509-205	0.81	C[C@@H]1CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O
MolPort-002-509-923	0.81	CC[C@@H]1CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O
MolPort-003-849-979	0.81	[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@]([2H])(C(=O)C([2H])([2H])[2H])[C@@]4(C)CC[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
MolPort-002-511-077	0.81	C[C@@H]1CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-002-517-271	0.81	C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CCC2=O
MolPort-001-785-926	0.81	CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-002-527-029	0.81	CC1C[C@H]2C3CC4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-002-526-176	0.81	CC(C)[C@H](C)\C=C\[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-001-740-063	0.81	CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-001-794-643	0.81	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-958-950	0.81	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
MolPort-003-941-496	0.81	C\C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-524-345	0.81	CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-506-935	0.81	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-019-994-121	0.81	CCC12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-035-706-382	0.81	CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-023-298-999	0.81	CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-044-652-024	0.81	CC(=O)C1CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-044-728-843	0.81	CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C
MolPort-035-757-683	0.81	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-046-690-449	0.81	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=C
MolPort-046-793-263	0.81	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C=C1CCCCC1
MolPort-023-299-008	0.81	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=C
MolPort-023-276-307	0.81	CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-023-274-272	0.81	CCC(\C=C\[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)C
MolPort-019-940-196	0.81	CC1CC2C3CCC4=CC(=O)CCC4(C)C3CCC2(C)C1(C)C(C)=O
MolPort-046-688-566	0.81	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC=C2
MolPort-019-990-215	0.81	CC(=O)C1=CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-039-052-425	0.81	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-765-458	0.81	CC[C@H](\C=C\[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-596-417	0.81	CC1CC2C3CC4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MCULE-3936888193	0.81	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC1CC(C)=C(C)CC21C(C)=O
MCULE-3893717167	0.81	[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1C[C@@H](CC)C2C(C)=O
MCULE-7380885765	0.81	O=C1CCC2(C3CCC4(C)CCCC4C3CCC2=C1)[H]
MCULE-9795083418	0.81	O=C1CC[C@@]2([C@]3(CC[C@@]4(/C(=C/C)/C(=O)C[C@@]4([H])[C@]3([H])CCC2=C1)C)[H])C
MCULE-3125023758	0.81	C1C[C@]2(C)[C@@]3([H])CC[C@@]4([C@@H]([C@H](C)/C=C/[C@@H](CC)C(C)C)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O)C
MCULE-6538426298	0.81	O=C1CCC2(C)C3CCC4(C)C(CCCCC(C)C)CCC4C3CCC2=C1
MCULE-4324141268	0.81	[C@]12(C)CCC3[C@@]([H])(CC(C4=CC(=O)CC[C@]34C)C)C1CC1CCCCC21C(C)=O
MCULE-3425686308	0.81	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C(C)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MCULE-8417547529	0.81	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)=O
MCULE-7384114075	0.81	C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2=O)C)=O
MCULE-5238788396	0.81	[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(C)=O)[H]
MCULE-4303966960	0.81	C[C@@]12[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CCC1=CC(=O)CC2
MCULE-3175746942	0.81	C12(C)C(=O)C=CC(CC1)C2(C)C
MCULE-2014220888	0.81	O=C1C=CCC2(CCC3C4CCC(C4(C)CCC3C21C)=O)[H]
MCULE-3386101177	0.81	[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC[C@@H]2[C@H](C)/C=C/C(CC)C(C)C
MCULE-7132823730	0.81	[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2[C@H](C)CCCC(C)C)[H]
MCULE-6738536824	0.81	O=C1C(C)=C2C(CCCC2(C)CC1)=O
MCULE-8902385122	0.81	[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
MCULE-3526435182	0.81	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC(C)C2(C)C(C)=O
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