Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MolPort-044-728-843	1	CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C
MolPort-046-596-417	1	CC1CC2C3CC4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-002-527-029	1	CC1C[C@H]2C3CC4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-035-757-683	1	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-023-276-307	1	CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-019-994-121	1	CCC12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-001-740-063	1	CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-003-941-496	1	C\C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-765-458	1	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	1	CC(=O)C1CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-002-506-935	1	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-019-940-196	1	CC1CC2C3CCC4=CC(=O)CCC4(C)C3CCC2(C)C1(C)C(C)=O
MolPort-003-847-259	1	CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-000-730-189	1	CC(C)CCCC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-001-785-926	1	CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-023-274-272	1	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-023-299-008	1	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-003-958-950	1	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
MolPort-001-794-643	1	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-023-298-999	1	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-002-509-205	1	C[C@@H]1CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O
MolPort-035-706-382	1	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
MCULE-3526435182	1	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC(C)C2(C)C(C)=O
MolPort-002-526-176	1	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
MCULE-3386101177	1	[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
MolPort-002-524-345	1	CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MCULE-4324141268	1	[C@]12(C)CCC3[C@@]([H])(CC(C4=CC(=O)CC[C@]34C)C)C1CC1CCCCC21C(C)=O
MolPort-046-793-263	1	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C=C1CCCCC1
MCULE-3132312011	1	O=C1C=CC2(C)C3CCC4(C)CCCC4C3CCC2(C1)[H]
MolPort-002-517-271	1	C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CCC2=O
MCULE-7380885765	1	O=C1CCC2(C3CCC4(C)CCCC4C3CCC2=C1)[H]
MolPort-000-146-137	1	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
MCULE-6538426298	1	O=C1CCC2(C)C3CCC4(C)C(CCCCC(C)C)CCC4C3CCC2=C1
MolPort-046-690-449	1	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=C
MCULE-7384114075	1	C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2=O)C)=O
MolPort-002-511-077	1	C[C@@H]1CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MCULE-4303966960	1	C[C@@]12[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CCC1=CC(=O)CC2
MolPort-003-849-979	1	[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
MCULE-3893717167	1	[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1C[C@@H](CC)C2C(C)=O
MolPort-002-509-923	1	CC[C@@H]1CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O
MCULE-8902385122	1	[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
MolPort-039-052-425	1	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
MCULE-7132823730	1	[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-2014220888	1	O=C1C=CCC2(CCC3C4CCC(C4(C)CCC3C21C)=O)[H]
MCULE-9795083418	1	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-1428417742	1	[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(C)C(C)=O)[H]
MCULE-5238788396	1	[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-8417547529	1	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)=O
MCULE-8841120984	1	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
MCULE-9661302470	1	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)CCCC(C)C
MCULE-3125023758	1	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-3425686308	1	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-7535047148	0.97	CC12CCC(=O)C=C1C(=O)CC1C2CCC2(C)C1CCC2=O
MCULE-1235419293	0.97	O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)=O)C(C)=O
MCULE-2318177037	0.97	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])CC(=O)C2=CC1=O
MCULE-3926742898	0.97	O=C1C=CC2(CCCCC2)CC1
MCULE-8599123114	0.97	C12(C)CCCCC1=C(C)C(=O)CC2
MCULE-1925425954	0.97	C12CCCCC1CCC(=O)C=2
MCULE-5631441050	0.97	C12CCCCC1(C)CCC(=O)C=2
MCULE-1048579708	0.97	C12(C)CCCC(C)(C)C1=CC(=O)CC2
MCULE-1342617339	0.97	C1CC2C3CCCCC3=CC(=O)C2CC1
MCULE-9790788139	0.97	O=C1CC2C3CCC(C(C)CCCC(C)C)C3(C)CCC2C2(C)CCCC=C21
MCULE-7781678672	0.97	C12CCCCC1C(CC(=O)C=2)C(C)C
MolPort-039-338-118	0.97	C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
MolPort-035-679-062	0.97	C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-023-298-997	0.97	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-691-486	0.97	CC(=O)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-020-173-604	0.97	O=C1CCC2(CCCCC2)C=C1
MolPort-019-992-002	0.97	O=C1CCC2(CCCC2)C=C1
MolPort-001-790-211	0.97	O=C1CCC2CCCCC2=C1
MolPort-039-052-668	0.97	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-002-511-291	0.97	CC(C)C1CC(=O)C=C2CCCCC12
MolPort-046-765-408	0.94	C[C@]12CC[C@@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@H]1[C@@H]1C[C@@H]1C2=O
MolPort-002-706-878	0.94	CC(=O)C12CC(C)=C(C)CC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
MCULE-2587582031	0.94	O=C1CCC2(C)C3CC(C4(C)C(CC(C4C3CCC2=C1)=O)C(C)=O)=O
MCULE-3936888193	0.94	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC1CC(C)=C(C)CC21C(C)=O
MCULE-1177617044	0.94	C1(=O)CC23CC2(CCC3)C=C1
MCULE-4876387221	0.94	O=C(C1CCCCC=1)CC1CC2C(C2)C1
MCULE-3175746942	0.94	C12(C)C(=O)C=CC(CC1)C2(C)C
MCULE-9637050612	0.94	O=C1CCC2C(=C1)CCC1(C)C2CC=CC1
MCULE-8690639813	0.94	[C@]12(C)[C@H](C)CC(C=C1CC[C@@H](C(C)=C)C2)=O
MCULE-6041020600	0.94	C12C(=O)C=CC(C1)CC2
MCULE-6738536824	0.94	O=C1C(C)=C2C(CCCC2(C)CC1)=O
MCULE-3394759576	0.94	C1(=O)C=C2CC[C@@H](C(=C)C)C[C@@]2(C)[C@H](C)C1
MCULE-5119094209	0.94	O=C(C12CCCC1C2)C1CCCCC=1
MCULE-2160116138	0.94	O=C(C1CCCCC=1)[C@@H]1C[C@@H]2C[C@@H]2C1
MCULE-8519555544	0.94	C12(C)C(C)CC(C=C1CCC(C(C)=C)C2)=O
MCULE-7999733772	0.94	C1CCCCCC2C(C)(C)CC(=O)C2=CCCC1
MCULE-9290289108	0.94	C1(C)C(=O)C=CC(C(C)C)C1
MCULE-4005939250	0.94	C12(C)CCC3C(CCC4CCCCC34C)C1CC(=CC(C)C)C2=O
MCULE-9392368882	0.94	C1=CC(CCC1(CCC)CCC)=O
MCULE-1887138472	0.94	O=C1C(C)C(CC)C(C)C(CC)=C1
MCULE-9551990259	0.94	CC1=CC(=O)CC(CC)C1
MCULE-9861301536	0.94	C1C(CC(CC=1C)CCC)=O
MCULE-7174333293	0.94	C1C(C[C@@H](CC=1C)CCC)=O
MolPort-002-507-478	0.94	C[C@@H]1CC(=O)C=C2CC[C@H](C[C@@]12C)C(C)=C
MolPort-019-990-215	0.94	CC(=O)C1=CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-003-892-348	0.94	CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-688-566	0.94	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC=C2
MolPort-002-513-687	0.94	CC1=C(CC2C(CCCC2(C)C)C1)C=O
MolPort-013-791-457	0.94	O=C(C1CCCCC1)C1=CCCCC1
MolPort-006-110-398	0.94	CC(C)C1CCC(C)=CC1=O
MolPort-006-115-641	0.94	CCCC1CC(C)=CC(=O)C1
MolPort-046-158-507	0.94	C[C@@H](CCC=C(C)C)[C@H]1CCC(C)=CC1=O
MolPort-002-506-951	0.94	CCC[C@@H]1CC(C)=CC(=O)C1
MolPort-002-509-201	0.91	CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C
MolPort-004-960-127	0.91	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
MolPort-023-299-007	0.91	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-002-911-134	0.91	CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2=O
MolPort-002-070-296	0.91	C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-046-594-365	0.91	CC(=C)C1CCC2(C)CCC(=O)C(C)=C2C1
MolPort-020-005-765	0.91	CC(=C)[C@@H]1CC[C@@]2(C)CCC(=O)C(C)=C2C1
MolPort-044-723-195	0.91	C[C@@H]1CCCC2=CC(=O)[C@@H]3[C@@H](C3(C)C)[C@@]12C
MolPort-035-706-207	0.91	CC(C)[C@H]1[C@H]2C=C(C)C(=O)C[C@H]2[C@H](C)CC1=O
MolPort-046-600-627	0.91	CC(=O)CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C
MCULE-8099197121	0.91	C1(=O)C[C@@]2([H])[C@H](C)CC(=O)[C@@H](C(C)C)[C@@]2([H])C=C1C
MCULE-7083384019	0.91	CC1=C2C[C@H](C(=C)C)CC[C@@]2(C)CCC1=O
MCULE-7051793102	0.91	C1C[C@]2(C)CC[C@@H](C(C)=C)CC2=C(C)C1=O
MCULE-5384019764	0.91	C12CC(CCC1(C)CCC(=O)C=2C)C(C)=C
MCULE-8706542409	0.91	C12(C)C3C(C4C(C)(CC3)CCC=4)CCC1=CC(=O)CC2
MCULE-1142475318	0.91	C1(C)(C)C2CC1C(=CC2=O)C
MCULE-9382333306	0.91	C1(C)(C)CC(=O)C2=C(C)CCC12
MCULE-3614421214	0.91	C1(C=O)=C(C)CCC(C(C)C)C1=O
MCULE-1319324374	0.91	CC1CC=C(C(CC2CC=CC2)=O)CC1
MCULE-5881773205	0.91	CC1CC(CC2CC=CCC2)=CC(=O)C1
MCULE-3343421278	0.91	O=C1C=C(CC2CC=CCC2)CCC1
MCULE-8950557153	0.91	C1(C)(C)[C@@H]2C[C@H]1C(=CC2=O)C
MCULE-5575338469	0.91	C/C(/C)=C/C(CC1C2C=CC(CC2)C1)=O
MCULE-4391727742	0.91	C1C(CC(CC=1C)C)=O
MCULE-5564101474	0.91	C1C(CC(CC=1C)(C)C)=O
MCULE-6370581589	0.91	CC=CC(CC1C2C=CC(CC2)C1)=O
MCULE-8149754044	0.91	C(C1=CC(C)CCC1)=O
MCULE-7594121913	0.91	C1(CCCCC1=O)=CCCCCCC
MCULE-8040115902	0.91	C(C)(C)(C)C1CC(=C2CCC(CC2)C(C)(C)C)C(CC1)=O
MCULE-4948873814	0.91	C1(CCCCC1=O)=CC(CCCC)CC
MCULE-1064684832	0.91	C1(CCCC)C(=O)CC(C)(C)CC=1C
MCULE-7819289735	0.91	C1(CCCC(C)=C1C=O)(C)C
MCULE-6238783971	0.91	[C@@]12(C)[C@@H](C(C)=O)CCC1[C@]1(C(C(=O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
MCULE-4315440442	0.91	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@@H](/C=C/[C@@H](CC)C(=C)C)C)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MCULE-5461214891	0.91	[C@]12([H])C(=O)C[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)C(=O)C
MCULE-7455827757	0.91	C12(C)C(C(C)=O)CCC1([H])C1(C([H])(C(=O)C2)C2(C)CCC(C=C2CC1)=O)[H]
MCULE-2344630269	0.91	C1(CCC(C)=O)=C(C)C(=O)CC2C(CCC[C@]12C)(C)C
MCULE-2123440957	0.91	CC1C2(C)C(=CC(C3C(C)(C)C32)=O)CCC1
MCULE-6135208734	0.91	CC1([C@@H]2C(C=C3[C@@](C)([C@H]12)[C@H](C)CCC3)=O)C
MolPort-044-832-300	0.91	CC1(C)[C@@H]2C[C@H]1C(=O)C=C2
MolPort-000-146-079	0.91	CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C
MolPort-046-774-258	0.91	O=C1CCC2(CCCCCC2)C=C1
MolPort-000-706-765	0.91	CC1=CC(=O)C2CC1C2(C)C
MolPort-038-386-020	0.91	CC(CC(=O)C=C(C)C)C1CCC(C)=CC1=O
MolPort-006-111-488	0.91	CC(C)C1CCC(=O)C=C1
MolPort-000-701-433	0.91	CC1=CC(=O)CC(C)(C)C1
MolPort-046-792-980	0.91	CCCCCC\C=C1\CCCC1=O
MolPort-022-056-577	0.91	CCC1=CC(=O)CCC1
MolPort-003-846-085	0.91	[2H]C([2H])([2H])C1=C(C=O)C(C)(C)CCC1([2H])[2H]
MolPort-001-794-308	0.91	CC1=C(C=O)C(C)(C)CCC1
MolPort-003-931-189	0.91	CC1=CC(C)(C)CCC1=O
MolPort-000-811-412	0.91	CCCCC(CC)\C=C1\CCCCC1=O
MolPort-023-197-958	0.91	CCC1(C)CCC(=O)C=C1
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