Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MolPort-006-318-920	1	Oc1cc(O)c2c(c1)oc1c3ccccc3ccc1c2=O
MCULE-3046418352	1	CCCCCCCC/C=C/CCCCCCCC(=O)O
MCULE-7702176615	1	CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O
MCULE-8798348917	1	C(CCCCCCC(=O)O)CCCCCC/C=C\CCCCCCCC
MCULE-6044533117	1	OC(CCCCCCC/C=C\CCCCCCCC)=O
MCULE-9547538729	1	CCCCCCCCC=CCCCCCCCC(O)=O
MCULE-7592205580	1	C(/CCCCCC(C)CC)=C/CCCCC(O)=O
MCULE-9914820446	1	C(/CCCCCCC(C)C)=C/CCCCC(O)=O
MCULE-1046270451	1	OC(CCCCCCCC=CCCCCCCCC(=O)O)=O
MCULE-7761893081	1	C(CCCCCC(=O)O)CC/C=C\CCCCCCCC
MCULE-8054022250	1	C(CCCCCCCCC=CCCCCCC)(O)=O
MCULE-5077473579	1	C(CCCCCCC(=O)O)CCCC/C=C\CCCCCC
MCULE-3248745724	1	C(CCCCCCCC)=CCCCCCCCCCCCC(=O)O
MCULE-8191255112	1	CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O
MolPort-006-318-922	1	Oc1cc(O)c2c(c1)oc1ccc3ccccc3c1c2=O
MolPort-006-318-918	1	Oc1cc(O)c2c(c1)oc1cc3ccccc3cc1c2=O
MolPort-006-318-916	1	Oc1cc(O)c2c(c1)oc1ccccc1c2=O
MolPort-008-155-942	1	Oc1cc(O)c2c(c1)occc2=O
MCULE-9153738942	0.97	C(CCCCC=CC(C)C)(O)=O
MCULE-3222494622	0.97	C12CCC3C(C3CCC=CCCC1C2C(O)=O)C(O)=O
MCULE-2611969931	0.97	[C@@H]1(CCCCCCCCCCCCC(=O)O)C=CCC1
MCULE-2467601128	0.97	C1(CCCCCCCCCCCCC(=O)O)C=CCC1
MCULE-2893862044	0.97	[Na+].C(CCCCCC([O-])=O)CC=CCCCCCCCC
MCULE-4188975486	0.97	O=C(CCCCCCCC=CCCCCCCCC)[O-].[K+]
MolPort-022-397-026	0.94	Oc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1
MolPort-022-397-026	0.94	Oc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1
MCULE-6935719222	0.94	OC(C1C(CC2CC=CCC2)CCC1)=O
MCULE-1528374574	0.94	OC(C1(CCC1)CC1CC=CCC1)=O
MCULE-9038165616	0.94	CC(C(O)=O)CC1C2C=CC(CC2)C1
MCULE-2170508823	0.94	C12C3C4C5C1C(C1C5C(C4CC3CC(O)=O)CC1CC(O)=O)C=C2
MCULE-5859140606	0.94	CC1CC(C(O)=O)(CC2CC=CCC2)C1
MCULE-7417377682	0.94	OC(C1(CC1)CC1CC=CCC1)=O
MCULE-1670830332	0.94	C(C(O)=O)C[C@]1(C)[C@@]2([H])CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@]1(C(C)=C)[H]
MCULE-4002345426	0.94	C1(CCCC(=CCC2C(C)(CCC2C(=C)C)CC1)C)C(=O)O
MCULE-6641232569	0.94	CC(C(O)=O)(CC1C2C=CC(CC2)C1)C
MCULE-7270634760	0.94	OC(C1C(CC2CC=CCC2)CC1)=O
MCULE-6413909495	0.94	CCCCCCCC/C=C\CCCCCCC(C(=O)O)O
MCULE-1202438669	0.94	C1C=CCCC(C(O)=O)CC1
MCULE-4778256781	0.94	C(O)(=O)CC[C@]1(C)[C@@]2([H])CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@H]1C(C)=C
MolPort-000-878-668	0.93	Oc1ccc2c(c1)oc1cc(O)ccc1c2=O
MolPort-000-141-944	0.93	Oc1cccc2occc(=O)c12
MolPort-000-680-446	0.93	Oc1ccc2c(c1)oc1ccccc1c2=O
MolPort-005-981-097	0.93	Oc1ccc2c(c1)occc2=O
MolPort-001-741-798	0.92	Oc1cc(O)c2c(c1)oc1cc(O)c(O)cc1c2=O
MCULE-8991093142	0.91	OC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC
MCULE-1190191150	0.91	OC(C1(CC1)CC1C2C=CC(CC2)C1)=O
MCULE-9036760572	0.91	[C@@H](O)(CCCCCC)CC=CCCCCCCCC(=O)O
MCULE-9156595873	0.91	C(CCCCC)C(O)CC=CCCCCCCCC(=O)O
MolPort-039-338-713	0.90	Oc1cc(O)c2c(c1)oc1c(O)cccc1c2=O
MolPort-039-338-713	0.90	Oc1cc(O)c2c(c1)oc1c(O)cccc1c2=O
MCULE-3455137708	0.90	C(O)(CC(C)CC/C=C(/C)\C)=O
MCULE-1438242882	0.90	C(O)(=O)C[C@@](CC/C=C(/C)\C)(C)[H]
MCULE-9405390567	0.89	C(CCCCCCC(=O)O)CC/C=C/C/C=C/CCCCC
MCULE-9671518710	0.89	C(CCCCCCC/C=C/C/C=C/CCCCC)(O)=O
MCULE-3664047551	0.89	C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)C[C@@H](C(O)=O)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-9341616847	0.89	C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)C[C@@H](C(O)=O)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-5384515579	0.89	C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(C(=O)O)[C@@H]1O
MCULE-8056155072	0.89	C1CC2(C)C3CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C(=O)O)(C)C1O
MCULE-5025931577	0.89	C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)O
MCULE-5702475533	0.89	C12(CCC(C1(C)C)(C([H])=C([H])C13CCC(C1(C)C)(C(O)=O)C3)C2)C(O)=O
MCULE-7147126046	0.89	C[C@@H](C(=O)O)[C@H]1[C@]2([H])[C@](CCC(=C2)C)([H])[C@H](C)CC1
MCULE-4504483614	0.89	C[C@H]1[C@@H]2CCC(C)=C[C@@H]2[C@H]([C@H](C(O)=O)C)CC1
MCULE-1893075589	0.89	CCCCC/C=C\C/C=C\CCCCCCCC(=O)O
MCULE-5113003290	0.89	OC(C1CC2CC(CC=C2)C1)=O
MCULE-8042162865	0.89	C(CCCCCCCC=CCC=CCC=CCC)(O)=O
MCULE-8629297693	0.89	C1C[C@@]2(C3CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C)CC[C@]4([C@]3(C)CC[C@@]2([H])[C@](C)([C@@H]1O)C(O)=O)C)C
MCULE-9082869288	0.89	CCCCC/C(/[H])=C(\[H])/C/C(/[H])=C(\[H])/C/C(/[H])=C(\[H])/C/C(/[H])=C(/[H])\CCCCCC(O)=O
MCULE-1283574747	0.89	C[C@@]12CC[C@@]3([H])[C@@]([C@H](O)CC[C@]3(C)[C@@]1([H])CC=C1[C@]3([H])CC(C)(C)CC[C@]3(C)CC[C@@]21C)(C)C(=O)O
MCULE-6594867113	0.89	CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
MCULE-4653646367	0.89	C(CCCCCCCC=CCC=CCCCCC)(O)=O
MCULE-4209942909	0.89	C(/C=C\C/C=C\C/C=C\CC)CCCCCCCCCCC(=O)O
MCULE-5327458615	0.89	CC(C(=O)O)C1C2([H])C(CCC(=C2)C)([H])C(C)CC1
MolPort-020-005-911	0.88	Oc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O
MolPort-023-279-016	0.88	Oc1cc2oc3cccc(O)c3c(=O)c2cc1O
MolPort-000-882-122	0.88	Oc1ccc2oc3cccc(O)c3c(=O)c2c1
MolPort-023-279-016	0.88	Oc1cc2oc3cccc(O)c3c(=O)c2cc1O
MolPort-029-943-142	0.88	Oc1cc(O)c2c(c1)oc1c(O)c(O)ccc1c2=O
MolPort-020-005-911	0.88	Oc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O
MolPort-029-943-142	0.88	Oc1cc(O)c2c(c1)oc1c(O)c(O)ccc1c2=O
MCULE-9085462824	0.88	OC(C1C(CC2CC=CC2)CCCC1)=O
MCULE-6438933973	0.88	CC(C(CC1CC=CCC1)=O)(O)C
MCULE-4596209637	0.88	CC1CC(C(O)=O)(CC2CC=CC2)CC1
MCULE-3553508294	0.88	OC(C1C(CC2CC=CC2)CC1)=O
MCULE-6884173238	0.88	CC1C(C(O)=O)(CC2CC=CC2)CCC1
MCULE-3005532858	0.88	OC(C1(CCC1)CC1CC=CC1)=O
MCULE-2896292130	0.88	OC(C1(CC1)CC1CC=CC1)=O
MCULE-4980717954	0.88	C1CC(C)(CC(O)=O)C(C)(CC(=O)O)CC=1
MCULE-1720910553	0.86	[O-]C(=O)CCCCCCCC([H])=C([H])CC([H])=C([H])CCCCC.[Na+]
MCULE-7369936803	0.86	[C@H]1(CC=CCC)C(CC[C@@H]1CC(O)=O)=O
MCULE-2911613762	0.86	[C@H]1(C[C@H]2C[C@@H]1C=C2)CC(O)=O
MCULE-5225374056	0.86	CC(C(CC1C2C=CC(CC2)C1)=O)O
MCULE-6190365385	0.86	C(O)(CC1(C)C(CC(O)=O)(CC=C2C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC12)[H])=O
MCULE-9840181952	0.86	C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@@](C(=O)O)(C)C1
MCULE-1300466204	0.86	OC(=O)CC(O)C(C)C/C=C/CC(C)C(O)CC(=O)O
MCULE-2735934269	0.86	OC1(C(CC2CC=CCC2)=O)CCCC1
MCULE-5541619791	0.86	[C@]12(C)CCC[C@@](C)(C(O)=O)[C@]1([H])CCC1=C[C@@](CC[C@]12[H])(C)C=C
MCULE-2546809155	0.86	CC(C(CC1C2C=CC(CC2)C1)=O)(O)C
MCULE-4428892848	0.86	C1CCC2(C)C3CCC(C=C)(C)C=C3CCC2C1(C(=O)O)C
MCULE-4777198621	0.86	CCCCC/C=C\CCCCCC(C(=O)O)C(O)CC(=O)O
MCULE-2620645862	0.86	[O-]C(=O)CCCCCCCC=CCC=CCCCCC.[K+]
MCULE-8928261768	0.86	C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@](C(=O)O)(C)C1
MCULE-9024921933	0.86	OC(C(CC1C2C=CC(CC2)C1)=O)=O
MCULE-4320729921	0.86	C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
MCULE-3655330509	0.86	OC(C(O)=O)CC1C2C=CC(CC2)C1
MolPort-035-868-684	0.85	Oc1cc(O)c2c(c1)occ(O)c2=O
MolPort-016-638-465	0.85	Oc1ccc2c(oc3cccc(O)c3c2=O)c1O
MolPort-035-868-684	0.85	Oc1cc(O)c2c(c1)occ(O)c2=O
MCULE-6767000432	0.85	C1CCC(C(O)=O)CCC=1
MolPort-022-390-844	0.84	Oc1cccc2c1oc1cccc(O)c1c2=O
MolPort-021-804-471	0.84	COc1cc(O)cc2oc3cc(O)ccc3c(=O)c12
MolPort-022-390-844	0.84	Oc1cccc2c1oc1cccc(O)c1c2=O
MolPort-021-804-471	0.84	COc1cc(O)cc2oc3cc(O)ccc3c(=O)c12
MCULE-2451101251	0.84	C12(C)C(C(C)CC(O)=O)CCC1C1C(CC2O)C2(C)CCC(CC2C=C1)O
MCULE-8045386580	0.84	C1(=O)C([C@@]2([H])[C@](C)(CC1)[C@]1([H])[C@@]([C@]3(C(=CC1)[C@]1([C@@](CCC(C1)(C)C)(C(O)=O)CC3)[H])C)(C)CC2)(C)C
MCULE-7088367969	0.84	[C@@]12(C)CC[C@@]3([C@@]([H])(CC(CC3)(C)C)C1=CC[C@@]1([H])[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@H](O)C2(C)C)[H])C(O)=O
MCULE-9474095410	0.84	[C@@H]1(O)C([C@@]2([H])[C@](C)(CC1)[C@]1([H])[C@@]([C@]3(C(=CC1)[C@]1([C@@](CC[C@H]([C@@H]1C)C)(C(O)=O)CC3)[H])C)(C)CC2)(C)C
MCULE-7708235386	0.84	OC(C1(CC=CC1)CC1CC=CCC1)=O
MCULE-7677256646	0.84	OC(C1(CC=CC1)CC1CCCC=1)=O
MCULE-5064546197	0.84	[C@H]1(C)[C@H](C)[C@@]2([H])C3=CC[C@@]4([C@@]5(C)CCC(C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1)=O)[H]
MCULE-6367656540	0.84	C12=CCC3(C(C)(CCC4([H])C(C(O)CCC34C)(C)C)C1(C)CCC1(CCC(C)C(C)C21)C(O)=O)[H]
MCULE-2350131012	0.84	C(CCCCCCCCC=CCCCCCC)(OC)=O
MCULE-4690400847	0.84	C1(CCCCCCC(=O)O)CC[C@@H](O)C=1
MCULE-6888052424	0.84	C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-7510220469	0.84	C1CC2[C@@](CC[C@H]([C@]2(C)CCC(C)CC(=O)O)C)(C(=C1)CO)C
MCULE-3143886740	0.84	C12(C)CCC3(C(CC(CC3)(C)C)C1=CCC1C2(C)CCC2C1(C)CCC(O)C2(C)C)C(O)=O
MCULE-4995415924	0.84	C(CCC)CCCC/C=C\CCCCCCCC(=O)OC
MCULE-1308336736	0.84	C12=CC[C@]3([C@@](C)(CC[C@@]4([H])C(C(O)CC[C@]34C)(C)C)[C@]1(C)CC[C@]1(CC[C@@H](C)C(C)C21)C(O)=O)[H]
MCULE-1939531919	0.84	CC1CC(C(O)=O)(C2C=CCCC2)C1
MCULE-6541953240	0.84	C1CCC(C(C)(C(O)=O)C)=CCCC1
MCULE-9335086572	0.84	CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(=O)CCC5(C)C4CC=C32)CC1
MCULE-1052417281	0.84	C(CCCCCCCCCCCCCC=CCCCCCCCC)(OC)=O
MCULE-6217200752	0.84	O=C(O)[C@]12[C@@](C3=CC[C@@]4([C@]5(CCC(=O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC1)C)[H])([H])[C@@H](C)[C@H](C)CC2
MCULE-6534469638	0.84	C(CCCCC=CCCCC)CCC(=O)OC
MCULE-3684696083	0.84	CCCCCC/C=C/CCCCCCCC(OC)=O
MCULE-5111117747	0.84	C[C@H]1[C@H](C)[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1
MCULE-5533097898	0.84	C(CCCC(=O)OC)CCCC=CCCCCCC
MCULE-8493572612	0.84	C([H])(CCCCCCCC)=C(CCCCCCCCCCCC(=O)OC)[H]
MCULE-8140747078	0.84	C(CCCCCCCC=CCCCCCCCC)(OC)=O
MolPort-021-804-780	0.83	COc1ccc2c(c1)oc1cccc(O)c1c2=O
MolPort-035-706-471	0.83	Oc1cccc2c1oc1c(O)ccc(O)c1c2=O
MolPort-021-804-780	0.83	COc1ccc2c(c1)oc1cccc(O)c1c2=O
MolPort-035-706-471	0.83	Oc1cccc2c1oc1c(O)ccc(O)c1c2=O
MCULE-1144217583	0.83	C1(C=O)CCC(CCCC(O)(C)C)=CC1
MCULE-6441405293	0.83	OC(C1(CC2C(C2)C1)CC1CC=CC1)=O
MCULE-1755461261	0.83	[C@]1(C)(CCC(=O)O)C2CC[C@]3([H])[C@@]([H])([C@@](O)(CC/C=C(\C)/C)C)CC[C@@]3(C)[C@]2(C)CC[C@H]1C(=C)C
MCULE-7053911643	0.83	C(O)(=O)CC1C(CC=CC)CC(C1)=O
MolPort-006-318-917	0.82	COc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1
MolPort-046-791-688	0.82	COc1cc(OC)c2c(c1)occc2=O
MolPort-006-318-915	0.82	Oc1cc(O)c2c(c1)oc1ccc(Cl)cc1c2=O
MolPort-006-318-923	0.82	Oc1cc(O)c2c(c1)oc1ccc(Br)cc1c2=O
MolPort-046-791-688	0.82	COc1cc(OC)c2c(c1)occc2=O
MCULE-5773428311	0.82	C1C[C@]2(C)C3C(CCC2[C@](C)(C(O)=O)C1)=CC(=O)CC3
MCULE-1602610126	0.82	CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(O)C(O)CC5(C)C4CC=C32)CC1
MCULE-3216123627	0.82	C1CC(C(C1(CC(=O)O)C)CC/C(=C/CCC(=O)C)/CO)C(C)(C)O
MCULE-5390747778	0.82	[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(O)=O)[H]
MCULE-5059257985	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)=O)CC3)CC=2
MCULE-4819154807	0.82	C1C[C@@]2(C)C(CC(C(=C2CCC(C)CC(O)=O)C)=O)C(C1)(C)C
MCULE-2605863241	0.82	C1C[C@@]2(C)C(C(C=C([C@@H]2CC[C@H](C)CC(O)=O)C)=O)C(C1)(C)C
MCULE-2671029853	0.82	[C@@]12([H])CC[C@H]([C@H](C)CCC(=O)O)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H]
MCULE-3614931522	0.82	CC1([C@@]2([H])[C@]([C@@]3([C@](CC2)(C)[C@]2(C([C@]4([C@](CC2)(C(=O)O)CC[C@@H](C)[C@@H]4C)[H])=CC3)C)[H])(C)C[C@@H](O)[C@@H]1O)C
MCULE-3171016035	0.82	C1CCC2C(C(O)=O)C2C=CC1
MCULE-2299251979	0.82	C[C@@]12CC[C@@]3([H])C([C@@H](O)[C@H](O)C[C@]3(C)[C@@]1([H])CC=C1[C@]3([H])CC(C)(C)CC[C@]3(C(=O)O)CC[C@@]21C)(C)C
MCULE-2313378449	0.82	C(O)(C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-3800481886	0.82	C1(C)(C)C[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O)[C@](CO)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1
MCULE-5683974067	0.82	C1C[C@]2(C([C@](C(O)=O)(C)C1)CCC13C2CCC(C(CO)=C1)C3)C
MCULE-4275950574	0.82	[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)C(O)=O
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MCULE-9167476740	0.60	C/C(/C)=C/CCC1(C2C=CC(C2)C1)O
MolPort-003-847-136	0.60	[2H]C([2H])([2H])C([2H])([2H])Oc1ccc2ccc(=O)oc2c1
MCULE-8392201259	0.60	C[C@@]12[C@@H](OC(=O)CCCCCCCCC)CC[C@]1([C@]1([C@]([C@@]3(C(=CC(=O)CC3)CC1)[H])([H])CC2)[H])[H]
MolPort-022-372-695	0.60	Cc1c(O)ccc2ccc(=O)oc12
MCULE-8961312077	0.60	C(CC(C)CC(C)(C)C)=CC(CC(C)C)=O
MolPort-000-688-996	0.60	Cc1c(O)ccc2c1oc(=O)c1ccccc21
MCULE-5874149529	0.60	[C@@]12([H])CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCCCCCCCC
MolPort-002-043-482	0.60	Cc1cccc2c(O)cc(=O)oc12
MCULE-9000594402	0.60	C[C@@H]1[C@H](O)[C@]2([H])[C@@H](O)C(=C)[C@H](O)C[C@@H]3C(C)(C)[C@@H]3C=C(C)C(=O)[C@@]2(O)C1
MolPort-002-088-633	0.60	COc1ccc2c(c1)oc(=O)c1cc(OC)ccc21
MCULE-7547377444	0.60	[C@]12(C)CC[C@@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC(Br)[C@]2(O)C(C)=O)[H]
MolPort-000-563-284	0.60	CCOc1ccc2c(c1)oc(=O)c1ccccc21
MCULE-7843809650	0.60	OCC1CC=CCC1
MolPort-027-838-749	0.60	Cl.Nc1ccc2occc(=O)c2c1
MCULE-6144873686	0.60	C12=CC(=O)[C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@]1(C)C(CC[C@@]21O)=O
MolPort-001-760-371	0.60	Cc1ccc2c(O)cc(=O)oc2c1
MCULE-9033140847	0.60	[C@@]12(C)[C@](O)(CCC1C1C(C(=O)C2)[C@@]2(C)CCC(C=C2CC1)=O)C#N
MCULE-2740918613	0.60	CC1([C@@]2([H])[C@](C3C(=O)C[C@@]4(C)[C@@](C)([C@H](C[C@@H]4[C@@H](CC(=O)C[C@H](C(=O)O)C)C)O)C=3[C@H](C2)O)(C)CCC1=O)C
MCULE-8668421078	0.60	C/C(/C)=C/CCC1([C@@H]2C=C[C@@H](C2)C1)O
MCULE-4432967237	0.60	BrC1=C(C(O)=O)CCCC1
MCULE-4339982355	0.60	CC[C@@]12[C@](O)(C#C)CC[C@H]1[C@@H]1CCC3[C@@H]([C@H]1C(=C)C2)CCC(=O)C=3

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