Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MolPort-044-754-147	1	COc1cc2oc(=O)ccc2c(OC)c1CC=C(C)C
MolPort-044-754-147	1	COc1cc2oc(=O)ccc2c(OC)c1CC=C(C)C
MCULE-9290289108	1	C1(C)C(=O)C=CC(C(C)C)C1
MCULE-9392368882	1	C1=CC(CCC1(CCC)CCC)=O
MCULE-9551990259	1	CC1=CC(=O)CC(CC)C1
MCULE-1887138472	1	O=C1C(C)C(CC)C(C)C(CC)=C1
MCULE-7174333293	1	C1C(C[C@@H](CC=1C)CCC)=O
MCULE-9861301536	1	C1C(CC(CC=1C)CCC)=O
MCULE-1048579708	0.97	C12(C)CCCC(C)(C)C1=CC(=O)CC2
MCULE-8599123114	0.97	C12(C)CCCCC1=C(C)C(=O)CC2
MCULE-5564101474	0.97	C1C(CC(CC=1C)(C)C)=O
MCULE-1925425954	0.97	C12CCCCC1CCC(=O)C=2
MCULE-1342617339	0.97	C1CC2C3CCCCC3=CC(=O)C2CC1
MCULE-5881773205	0.97	CC1CC(CC2CC=CCC2)=CC(=O)C1
MCULE-1319324374	0.97	CC1CC=C(C(CC2CC=CC2)=O)CC1
MCULE-8149754044	0.97	C(C1=CC(C)CCC1)=O
MCULE-8950557153	0.97	C1(C)(C)[C@@H]2C[C@H]1C(=CC2=O)C
MCULE-5631441050	0.97	C12CCCCC1(C)CCC(=O)C=2
MCULE-3343421278	0.97	O=C1C=C(CC2CC=CCC2)CCC1
MCULE-3614421214	0.97	C1(C=O)=C(C)CCC(C(C)C)C1=O
MCULE-1064684832	0.97	C1(CCCC)C(=O)CC(C)(C)CC=1C
MCULE-7819289735	0.97	C1(CCCC(C)=C1C=O)(C)C
MCULE-4391727742	0.97	C1C(CC(CC=1C)C)=O
MCULE-7781678672	0.97	C12CCCCC1C(CC(=O)C=2)C(C)C
MCULE-1142475318	0.97	C1(C)(C)C2CC1C(=CC2=O)C
MCULE-3926742898	0.97	O=C1C=CC2(CCCCC2)CC1
MolPort-005-944-812	0.95	COc1cc2oc(=O)ccc2cc1CC=C(C)C
MCULE-1068654284	0.94	CC(C(C1CCCCC=1)=O)C1CCC1
MCULE-3386101177	0.94	[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-3526435182	0.94	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC(C)C2(C)C(C)=O
MCULE-3893717167	0.94	[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1C[C@@H](CC)C2C(C)=O
MCULE-8220979425	0.94	CC1CC(CC/C=C(\C)/C)=CC(=O)C1
MCULE-2358765585	0.94	O=C1CCCC2C(C(C(C)(C)C1=2)C)(C)C
MCULE-4324141268	0.94	[C@]12(C)CCC3[C@@]([H])(CC(C4=CC(=O)CC[C@]34C)C)C1CC1CCCCC21C(C)=O
MCULE-9637050612	0.94	O=C1CCC2C(=C1)CCC1(C)C2CC=CC1
MCULE-3125023758	0.94	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-6041020600	0.94	C12C(=O)C=CC(C1)CC2
MCULE-9661302470	0.94	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)CCCC(C)C
MCULE-9795083418	0.94	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-8841120984	0.94	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-3394759576	0.94	C1(=O)C=C2CC[C@@H](C(=C)C)C[C@@]2(C)[C@H](C)C1
MCULE-1428417742	0.94	[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-4303966960	0.94	C[C@@]12[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CCC1=CC(=O)CC2
MCULE-9977163649	0.94	O=C1CC(C)(C)CC(C=O)=C1
MCULE-8690639813	0.94	[C@]12(C)[C@H](C)CC(C=C1CC[C@@H](C(C)=C)C2)=O
MCULE-8417547529	0.94	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)=O
MCULE-3132312011	0.94	O=C1C=CC2(C)C3CCC4(C)CCCC4C3CCC2(C1)[H]
MCULE-1903986936	0.94	CC(C1C(C(C2CCCCC=2)=O)C1)(C)C
MCULE-4612727757	0.94	C1[C@@H]2C([C@H]1CC=C2C=O)(C)C
MCULE-2014220888	0.94	O=C1C=CCC2(CCC3C4CCC(C4(C)CCC3C21C)=O)[H]
MCULE-6569061785	0.94	C1C2C(C1CC=C2C=O)(C)C
MCULE-7380885765	0.94	O=C1CCC2(C3CCC4(C)CCCC4C3CCC2=C1)[H]
MCULE-3175746942	0.94	C12(C)C(=O)C=CC(CC1)C2(C)C
MCULE-2750952157	0.94	O=C(C1CCCCC=1)C1C(C2CC2)C1
MCULE-7999733772	0.94	C1CCCCCC2C(C)(C)CC(=O)C2=CCCC1
MCULE-9894286158	0.94	O=C(C1CCCCC=1)C1CC2(CCC2)C1
MCULE-8519555544	0.94	C12(C)C(C)CC(C=C1CCC(C(C)=C)C2)=O
MCULE-1327216619	0.94	CC1(CC(CC2CC=CC2)=CC(=O)C1)C
MCULE-5924936253	0.94	CC1CC(C(C2CCCCC=2)=O)C1
MCULE-7132823730	0.94	[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-7700432494	0.94	O=C(C1CCCCC=1)C1C2(CC2)C1
MCULE-4900297288	0.94	CC1CC(CC2CC=CC2)=CC(=O)C1
MCULE-3425686308	0.94	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-5238788396	0.94	[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-8108304567	0.94	C/C(/C)=C/CCC1CC(C)(C)CC(=O)C=1
MCULE-7384114075	0.94	C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2=O)C)=O
MCULE-1578387226	0.94	O=C(C1CCCC=1)CC1CC=CC1
MCULE-8902385122	0.94	[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
MCULE-6538426298	0.94	O=C1CCC2(C)C3CCC4(C)C(CCCCC(C)C)CCC4C3CCC2=C1
MCULE-6738536824	0.94	O=C1C(C)=C2C(CCCC2(C)CC1)=O
MCULE-6849313207	0.93	CC1CCCC(=O)C=1
MCULE-3433190262	0.93	C1(CCCCCCCCCCC=1)C(C)=O
MCULE-9958324589	0.93	C1CCCC=C1C(=O)C
MCULE-9285433930	0.93	C1(CCCCC=1)C(CC)=O
MCULE-5034253909	0.93	C(C(C)C)(=O)C1CCCCC=1
MCULE-7375388626	0.93	C1(CCCCC=1)C(CCC)=O
MCULE-2644888783	0.93	C(=O)(CC(C)C)C1CCCCC=1
MCULE-9444397237	0.93	C1CCC(=O)C=CCCC1
MCULE-3035020921	0.93	C1CCCCC=C(C=O)C1
MCULE-2318177037	0.91	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-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-6135208734	0.91	CC1([C@@H]2C(C=C3[C@@](C)([C@H]12)[C@H](C)CCC3)=O)C
MCULE-7051793102	0.91	C1C[C@]2(C)CC[C@@H](C(C)=C)CC2=C(C)C1=O
MCULE-9382333306	0.91	C1(C)(C)CC(=O)C2=C(C)CCC12
MCULE-1638755617	0.91	O=C(C)C1C(C=C(C)CC1)=O
MCULE-8192482534	0.91	O=C1C=CC2(C)C(C1)CC=CC2
MCULE-9790788139	0.91	O=C1CC2C3CCC(C(C)CCCC(C)C)C3(C)CCC2C2(C)CCCC=C21
MCULE-7083384019	0.91	CC1=C2C[C@H](C(=C)C)CC[C@@]2(C)CCC1=O
MCULE-7241385729	0.91	C1(=O)C=C(C)CC(C)(C)C1C(C)=O
MCULE-5531656338	0.91	CC1C(=O)C(C)(C)CC(=O)C=1
MCULE-9740579162	0.91	C1(C(C)=O)CC(=O)C(C)=CC1
MCULE-1235419293	0.91	O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)=O)C(C)=O
MCULE-3650003593	0.91	O=C1C=C(CC2CC=CCC2)CCCC1
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-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-8255659287	0.91	C1(=O)CCC(CC=C)(C)C=C1
MCULE-7535047148	0.91	CC12CCC(=O)C=C1C(=O)CC1C2CCC2(C)C1CCC2=O
MCULE-8414068028	0.90	C1(CCCCCC=1)C=O
MCULE-9704056914	0.90	O=C(C1CCCCCCC=1)C1C2(CC2)C1
MCULE-6370581589	0.90	CC=CC(CC1C2C=CC(CC2)C1)=O
MCULE-5466118884	0.90	C1C(CCCCC=1C)=O
MCULE-5281461360	0.90	C1(=O)C=CCCCC1
MCULE-3774162320	0.90	C1(=O)CC(C)(C)CC=C1
MCULE-5124770449	0.90	C1(=O)CCC(C)(C)C=C1
MCULE-6245248136	0.90	C1(C)=CCCCC1=O
MCULE-7619150531	0.90	CCCCC/C=C(\C=O)/CCCC
MCULE-7594121913	0.90	C1(CCCCC1=O)=CCCCCCC
MCULE-9092365556	0.90	C(=O)C(CCCC)=CCCCCC
MCULE-5575338469	0.90	C/C(/C)=C/C(CC1C2C=CC(CC2)C1)=O
MCULE-2243940623	0.90	C1CC2CC2CCC(=O)C=1
MCULE-4948873814	0.90	C1(CCCCC1=O)=CC(CCCC)CC
MCULE-1811364024	0.90	C1(C)(C)C(=O)C=CCC1
MCULE-4195941884	0.90	CC(C1(C(C2CCCCC=2)=O)CC1)C
MCULE-4187355503	0.90	CC1CC(C(C2CCCCCCC=2)=O)C1
MCULE-8040115902	0.90	C(C)(C)(C)C1CC(=C2CCC(CC2)C(C)(C)C)C(CC1)=O
MCULE-5102413219	0.88	O=C(C1CCCCCC=1)C1C2(CC2)C1
MCULE-6481056517	0.88	CC(C(C1CCCC=1)=O)C1CCC1
MCULE-6989137991	0.88	C1C(=O)CCC2([H])CC2([H])C=1
MCULE-2011218266	0.88	CC(C(C1CCCCCC=1)=O)C1CCC1
MCULE-2160116138	0.88	O=C(C1CCCCC=1)[C@@H]1C[C@@H]2C[C@@H]2C1
MCULE-5119094209	0.88	O=C(C12CCCC1C2)C1CCCCC=1
MCULE-6661177248	0.88	CC1CC(C(C2CCCCCC=2)=O)C1
MCULE-2280015640	0.88	C(C)(=C)[C@@]1([H])CCC(=CC1)C=O
MCULE-2913420738	0.88	C(C)(=C)C1([H])CCC(=CC1)C=O
MCULE-1177617044	0.88	C1(=O)CC23CC2(CCC3)C=C1
MCULE-4876387221	0.88	O=C(C1CCCCC=1)CC1CC2C(C2)C1
MCULE-8226891771	0.88	CC(C1(C(C2CCCCCC=2)=O)CC1)C
MCULE-7695357226	0.88	O=C(C1CCCC=1)C1CC2(CCC2)C1
MCULE-6739386631	0.88	O=C(C1CCCCC=1)C1CC2C(C2)CC1
MCULE-1776810440	0.88	C=C(C)[C@H]1CCC(C=O)=CC1
MCULE-2850571893	0.88	O=C(C1CCCCCC=1)C1C(C2CC2)C1
MCULE-1731235356	0.88	O=C(C1CCCCC=1)C1C2C(C2)CCC1
MCULE-4005939250	0.88	C12(C)CCC3C(CCC4CCCCC34C)C1CC(=CC(C)C)C2=O
MCULE-4785640334	0.88	CC1CC(C(C2CCCC=2)=O)C1
MCULE-8800846446	0.88	CC(C1C(C(C2CCCC=2)=O)C1)(C)C
MCULE-4387476121	0.88	C1C2CC=C(C)C(=O)C1C2(C)C
MCULE-3936888193	0.88	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC1CC(C)=C(C)CC21C(C)=O
MCULE-2587582031	0.88	O=C1CCC2(C)C3CC(C4(C)C(CC(C4C3CCC2=C1)=O)C(C)=O)=O
MCULE-6340945460	0.88	O=C(C12CCCCC1C2)C1CCCCC=1
MCULE-6302987664	0.88	O=C(C1CCCC=1)C1C(C2CC2)C1
MCULE-2807643168	0.88	C1(C)CC(=O)C=C1CCCCC
MCULE-6881426714	0.87	O=C1CCCCC1=CCCCC
MCULE-5212919737	0.87	CC(C(CC1C2C=CC(CC2)C1)=O)=C
MCULE-7859787767	0.87	CC(C(CC1CC=CCC1)=O)(C)C
MCULE-5040560976	0.87	O=C1C(=CC(CC)CC)CCCC1
MCULE-2588670002	0.87	C1(CCCC=1)C(CCC)=O
MCULE-5676927364	0.87	C(=O)(CC(C)C)C1CCCC=1
MCULE-8714614317	0.87	C=CC(CC1C2C=CC(CC2)C1)=O
MCULE-4428185983	0.87	C1(CCCCC1=O)=CCC(C)C
MolPort-039-339-022	0.86	COc1c(CC=C(C)C)c(O)cc2oc(=O)c3c4ccc(O)cc4oc3c12
MolPort-039-339-022	0.86	COc1c(CC=C(C)C)c(O)cc2oc(=O)c3c4ccc(O)cc4oc3c12
MCULE-5461214891	0.86	[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-4315440442	0.86	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-6238783971	0.86	[C@@]12(C)[C@@H](C(C)=O)CCC1[C@]1(C(C(=O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
MCULE-7455827757	0.86	C12(C)C(C(C)=O)CCC1([H])C1(C([H])(C(=O)C2)C2(C)CCC(C=C2CC1)=O)[H]
MCULE-4374730563	0.85	O=C1CC2CCCCC2=C1
MCULE-6744252540	0.85	C1(=O)CC(CC=C1C)C(C)=C
MCULE-7861636306	0.85	C1(=O)C[C@@H](CC=C1C)C(C)=C
MCULE-5633160153	0.85	O=C1C=C(CC2CC=CC2)CC1
MCULE-3625394348	0.85	O=C1C=C(CC2CC=CC2)CCCC1
MCULE-8180565288	0.85	O=C1C=C(CC2C3CCC(CC3)C2)CC1
MCULE-1175519180	0.85	C1C2C(=O)CCC=2CCC1
MCULE-1323244269	0.85	O=C(C1CCCC=1)C1CC2(CC2)CCC1
MCULE-9326244207	0.85	O=C(C1CCCC=1)C1CCC2(CC2)CC1
MCULE-4594101266	0.85	C1CC2(C)CC(=O)C=C2C1
MCULE-1451736151	0.85	C1(C(=CC[C@H](C(C)=C)C1)C)=O
MCULE-4775236455	0.85	CC1(C2(CCC(C=O)=CC2)C(=C)CCC1)C
MCULE-6900112057	0.85	C1CCCC2C(=O)CC(C)C=2CCCCCC1
MCULE-7452592467	0.85	C1(=O)C[C@@H](CC=C1C)C(C)=C
MCULE-1282304829	0.85	C/C(/C)=C/CCC1CCCCC(=O)C=1
MCULE-4928649557	0.85	C1CC2C(=O)CC(C)(C)C=2CC1
MCULE-2320815624	0.85	C1CC2C(=O)CC(C)C=2CC1
MCULE-8557116567	0.85	C12([H])C(C)CCC1([H])C(C)=CC2=O
MCULE-3857929176	0.85	O=C1C=C(CC2C3C=CC(CC3)C2)CC1
MolPort-001-742-280	0.84	CC(C)=CCc1cc2ccc(=O)oc2cc1O
MCULE-4497275799	0.84	C1(CCCCC1=O)=CC(C)C
MCULE-7994229276	0.84	O=C(C1CCC1)CC1CC=CCC1
MCULE-6078845553	0.84	CC1CC(C(CC2CC=CCC2)=O)C1
MCULE-3080370181	0.84	C1CC2(CC(=O)CC2(C)CC=1)C
MCULE-8432152948	0.84	CC1(C(CC2CC=CCC2)=O)CC1
MCULE-7199540909	0.84	O=C(C1CCCCC1)CC1CC=CCC1
MCULE-7439135180	0.84	CC(C1(C(C2CCCC=2)=O)CC1)C
MCULE-1027304648	0.84	O=C(/C=C1\CCCCC\1)CC1CC=CC1
MCULE-7944143685	0.84	O=C(C1CC1)CC1CC=CCC1
MCULE-2614181271	0.84	CC(C(CC1C2C=CC(CC2)C1)=O)(C)C
MCULE-1842062313	0.84	CC1(C(CC2CC=CCC2)=O)CCCC1
MCULE-1648678126	0.84	CC1C(C(CC2CC=CCC2)=O)C1
MCULE-5661083032	0.84	CC1C(C(CC2CC=CCC2)=O)CCC1
MCULE-7214232871	0.84	C1C2=CCCC(C(C)C)C2CC(C=O)C1C
MCULE-4014926214	0.84	CC1CC(C(CC2CC=CCC2)=O)CC1
MCULE-5596219960	0.84	O=C(C1C2(CC2)C1)CC1CC=CCC1
MCULE-7487706695	0.84	CC1(C(C(CC2CC=CCC2)=O)C1)C
MCULE-3020606954	0.84	O=C1CC(C)(C)C2CC=CCC2C1(C)C
MolPort-023-299-051	0.83	COc1cc2oc3ccc(O)cc3c(=O)c2c(O)c1CC=C(C)C
MolPort-023-299-051	0.83	COc1cc2oc3ccc(O)cc3c(=O)c2c(O)c1CC=C(C)C
MCULE-4552456295	0.83	O=C1CCC2(C)C3CCC4(C)C(=CC=C)CCC4C3CCC2=C1
MCULE-8961312077	0.83	C(CC(C)CC(C)(C)C)=CC(CC(C)C)=O
MCULE-4736378843	0.83	CC(C=O)(CC1CC=CCC1)C
MCULE-5394370706	0.83	C12CCCC(=O)[C@@]1(C)CCC(=O)C=2C
MCULE-4596748719	0.83	C12(CCC)CCC(C=C1CCCC2=O)=O
MCULE-5207755083	0.83	C1(CCCC=C1)=O
MCULE-2454891288	0.83	C12(C)CCC(C=C1CCCC2=O)=O
MCULE-3803033906	0.83	[C@]12(C)CCC(C=C1CCCC2=O)=O
MCULE-4078078854	0.83	CC(C(C)=O)CC1CC=CCC1
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MCULE-6911820459	0.67	C1(CCCCC=1N)C(C)=O
MCULE-9892383905	0.67	[C@]12(CC)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@@]43[H])[C@]1([H])CC[C@]2(O)C#C)[H]
MCULE-4656356934	0.67	FC(C(CC1C2C=CC(CC2)C1)=O)F
MCULE-9068467553	0.67	[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CC[C@]2(O)C#N)C)=O
MCULE-1779059042	0.67	[C@]12(CCC3C4C(CC[C@]13C)[C@@]1(C)CCC(C=C1CC4)=O)CS2
MCULE-8492776496	0.67	FC1(CC(C(CC2CC=CCC2)=O)C1)F
MCULE-1410261429	0.67	CC(C1CC(=CC(O)=O)C(=O)CC1)(C)C
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MCULE-5554722605	0.66	C(C)(C1=C(CC1)C(C)=O)=O
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MCULE-3393820020	0.66	C1(C(C)=O)C(=O)C(=CC1=O)C
MCULE-5250500079	0.66	CC(C(F)(F)C)(C(C1CCCC=1)=O)C
MCULE-8312923448	0.66	C12CCCC(=O)C=1CC(C(=O)O)CC2
MCULE-9742304708	0.66	C1C(C(O)=O)=CC[C@@H](C(O)(C)C)C1
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MolPort-044-754-115	0.66	COc1cc2oc(=O)ccc2cc1CO
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MCULE-2176684677	0.64	O=C1CCC2(C)C(=C1)CC=C1C3CCC(C(C)C(Br)C(Br)C(C)C(C)C)C3(C)CCC21
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MolPort-001-959-568	0.62	COc1cc(C)cc2oc(=O)cc(C)c12
MolPort-000-688-997	0.62	CCCOc1ccc2c(oc(=O)c3ccccc23)c1C
MolPort-002-249-492	0.62	CCc1c(C)c2ccc(OCC(C)=C)cc2oc1=O
MolPort-000-642-773	0.62	CCCOc1ccc2c(C)cc(=O)oc2c1
MolPort-009-235-790	0.62	CC(=O)c1ccccc1OCCOc1ccc2ccc(=O)oc2c1
MolPort-000-693-536	0.62	COc1cc(OC)c2c(C)c(Cc3ccccc3)c(=O)oc2c1
MolPort-001-798-736	0.62	COc1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c(OC)c1
MolPort-044-637-529	0.62	COc1cc(C)c2c(OC)c(C)c(=O)oc2c1
MolPort-035-706-469	0.62	CC(C)=CCc1c(O)c(O)cc2c1oc1cc(O)c(c(O)c1c2=O)C(C)(C)C=C
MolPort-019-937-259	0.62	CC(C)=CCc1c(O)cc2oc3cc(O)c(O)c(CC=C(C)C)c3c(=O)c2c1O
MolPort-044-754-195	0.62	CC(C)=CCc1c2occc2c(O)c2ccc(=O)oc12
MolPort-039-338-636	0.62	CC(C)=CCc1c(O)cc(O)c2c1occc2=O
MolPort-046-761-014	0.62	C\C(CO)=C\Cc1c(O)cc2oc(C)cc(=O)c2c1O
MolPort-042-675-340	0.62	COc1cc(O)c(c2oc(=O)c(cc12)-c1ccc(O)cc1O)C(C)(C)C=C
MolPort-042-675-340	0.62	COc1cc(O)c(c2oc(=O)c(cc12)-c1ccc(O)cc1O)C(C)(C)C=C
MolPort-039-338-644	0.62	CC(C)=CCc1c(O)cc(O)c2c1oc1cc(O)cc(O)c1c2=O
MolPort-002-838-284	0.62	CCc1c(C)c2cc(CC=C)c(O)c(C)c2oc1=O
MolPort-002-838-285	0.62	CCc1cc2c(C)c(CC)c(=O)oc2cc1OCC=C
MolPort-001-683-777	0.62	CCc1c(C)c2ccc(OCC(C)C)cc2oc1=O
MolPort-046-761-014	0.62	C\C(CO)=C\Cc1c(O)cc2oc(C)cc(=O)c2c1O
MolPort-001-832-825	0.62	COc1ccc2c(C)c(C)c(=O)oc2c1C
MolPort-000-656-752	0.62	CCc1cc2c(C)cc(=O)oc2cc1OCC(N)=O
MolPort-001-825-184	0.62	COc1ccc2c(C)c(C)c(=O)oc2c1
MolPort-000-739-674	0.62	CCc1c(C)c2ccc(OCC=C)cc2oc1=O
MolPort-002-184-033	0.62	CCOc1ccc2c(C)c(CC)c(=O)oc2c1C
MCULE-2366326470	0.62	C12C3C4C(C5C1C(C(O)=O)=C(C(O)=O)C35)C2C=C4
MolPort-002-247-866	0.62	CCCOc1ccc2c(C)c(CC)c(=O)oc2c1
MCULE-4167735225	0.62	C12=CC([C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21O)[C@H](C)[C@H](O)CCC(O)(C)C)=O
MCULE-9660893096	0.62	C12=CC(=O)[C@]3([C@](C)(C[C@@H]([C@H](O)C3)O)[C@@]1([H])CC[C@]1(C)[C@@](CC[C@@]21O)([H])[C@@](C)(O)[C@H](O)CCC(C)(C)O)[H]
MCULE-4161096186	0.62	BrCC(C1C2C=CC(CC2)C1)=O
MCULE-3475190281	0.62	BrCC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
MCULE-6460864523	0.62	ClCC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
MCULE-5643440248	0.62	[C@@H]1(C[C@@]2([C@@]3([H])CC[C@@]4([C@]([H])(CC[C@@]4(O)C3=CC([C@]2([H])C[C@H]1O)=O)[C@@](C)(O)[C@H](O)CC[C@H](C)CO)C)C)O
MCULE-2170508823	0.62	C12C3C4C5C1C(C1C5C(C4CC3CC(O)=O)CC1CC(O)=O)C=C2
MCULE-6834807417	0.62	C1C2(CCOC(C)(C)C2)CCC(=O)C=1
MCULE-6132152847	0.62	[C@H]1(O)C[C@]2(C)C3CC[C@]4(C)C([C@@](O)([C@H](O)C[C@H](C)C(C)C)C)CC[C@@]4(O)C3=CC(=O)C2C[C@H]1O
MCULE-4964860916	0.62	C12=CC(C3([H])CC(O)C(O)CC3(C)C1([H])CCC1(C)C(CCC21O)C(O)(C)C(O)CCC(C)C)=O
MCULE-6096990869	0.62	C(C)(C)(C)C1=CC(C(C(C1=O)Cl)(C(C)(C)C)Cl)=O
MCULE-5396685230	0.62	C12=CC(C3([H])CC(O)C(O)CC3(C)C1([H])CCC1(C)C(CCC21O)C(C)C(O)CCC(O)(C)C)=O
MCULE-5207883585	0.62	C1(C(C)(C)C)C(=O)C=C(C(=O)C=1)C
MCULE-7200109721	0.62	CNC1CC(C(C2CCCCCC=2)=O)C1
MolPort-004-664-477	0.61	COc1ccc(C(=O)COc2ccc3ccc(=O)oc3c2)c(OC)c1
MolPort-046-508-990	0.61	COc1ccc(c(O)c1)-c1coc2cc(O)c(CC=C(C)C)c(O)c2c1=O
MolPort-002-803-495	0.61	COc1cccc(OCCOc2ccc3c(C)cc(=O)oc3c2)c1
MolPort-001-799-662	0.61	CC(C)=CCOc1ccc2c(C)cc(=O)oc2c1
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MolPort-000-856-854	0.61	COc1ccc(\C=C\C(=O)c2cc3c(C)cc(=O)oc3c(C)c2O)cc1
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MolPort-000-881-224	0.61	COc1ccc2ccc(=O)oc2c1
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MolPort-002-278-690	0.61	CCCc1cc(=O)oc2cc(OCC(C)=C)cc(OCC(C)=C)c12
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MolPort-046-508-990	0.61	COc1ccc(c(O)c1)-c1coc2cc(O)c(CC=C(C)C)c(O)c2c1=O
MolPort-001-843-859	0.61	COc1cc2c3ccc(O)cc3oc(=O)c2c(OC)c1OC
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MolPort-002-085-738	0.61	CCC(=O)Oc1cc2oc(=O)cc(C)c2cc1CC
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MolPort-002-228-483	0.61	COc1ccc2c3ccc(OC(C)C)c(C)c3oc(=O)c2c1
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MolPort-000-779-653	0.61	COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C
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MolPort-000-688-505	0.61	CC(=C)COc1ccc2c(C)cc(=O)oc2c1
MolPort-000-880-983	0.61	CC(C)=CCc1c2ccoc2c(O)c2oc(=O)ccc12
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MolPort-002-183-904	0.61	COc1cc2oc(=O)cc(C)c2cc1C=O
MolPort-002-120-471	0.61	CCOc1ccc2c(CC)cc(=O)oc2c1C
MolPort-002-183-495	0.61	CCc1c(C)c2ccc(OCC=C)c(C)c2oc1=O
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MolPort-000-158-388	0.61	CCCOc1ccc2ccc(=O)oc2c1
MCULE-1900386533	0.61	C1[C@]2([H])[C@@]3([H])C(=C)C[C@@]4(CC)[C@@]([H])(CC[C@]4(C#C)O)[C@]3([H])CCC2=CC(=O)C1
MCULE-5541619791	0.61	[C@]12(C)CCC[C@@](C)(C(O)=O)[C@]1([H])CCC1=C[C@@](CC[C@]12[H])(C)C=C
MCULE-7843810466	0.61	CC(C(C1C(C(C)(C)C)C1)=O)=C
MCULE-4841402169	0.61	C=CC(C1C(C2CC2)C1)=O
MCULE-1728954158	0.61	CC(C(C1C(C2CC2)C1)=O)=C
MCULE-8239765173	0.61	[C@]12(C)CCC3C(C=CC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(C)=O
MCULE-8129046998	0.61	CC(C1C(C(C=C)=O)C1)(C)C
MCULE-5208181398	0.61	C1(C(=C(O)C(=O)C23C1C(C)C=CC2CCC(=O)C3)C)=O
MCULE-1731948266	0.61	C[C@H]1C(C)(C)[C@](C(C=C)=O)(C)CC1
MCULE-4608706769	0.61	CC(C(C1CC2(CCC2)C1)=O)=C
MCULE-6522324289	0.61	CC(C1(C(/C=C(\C)/C)=O)CC1)C
MCULE-8386752633	0.61	O=C1CCC2(C)C3C(C4CCC(C4(C)C(C=3)=O)C(OC)=O)CCC2([H])C1
MCULE-1271946970	0.61	CC(C(C1CC(C)(C)CC(C)(C)C1)=O)=C
MCULE-2108521830	0.61	CC(C(C1CCCC=1)=O)(C(F)F)C
MCULE-5476535126	0.61	C1(=C)CC2CC(CC(=O)C2)C1
MCULE-2335859358	0.61	CC(C(C=C)=O)C1CCC1
MCULE-5675527164	0.61	CC(C(C(C)=C)=O)C1CCC1
MCULE-8695975727	0.61	C1(CCC=1)C(C)=O
MCULE-4848524801	0.61	C(C)(=CCCCCCC)C(O)=O
MCULE-3987885076	0.61	C12=CC[C@]3([C@@H](CC[C@]3(O)C(CO)=O)[C@]1([H])CCC1=CC(=O)CC[C@]21C)C
MCULE-3867013572	0.61	[C@H]12C(C)=CC[C@H](C1(C)C)C2
MCULE-3589656574	0.61	C12C(C)=CCC(C1(C)C)C2
MCULE-6442886842	0.61	O=C1CCC2(C)C3CCC4(C)C5C(C)C6(CCC(C)CN6C5CC4C3CCC2=C1)[H]
MCULE-4339982355	0.61	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
MCULE-2562452387	0.61	[H]C12C(C)(C)C=CCC1(C)C1CC=C3C4(CC(C)(C)CCC4(C)CCC3(C)C1(C)CC2)[H]
MCULE-5001517452	0.61	C[C@H]1C(C)(C)[C@](C(C(C)=C)=O)(C)CC1
MCULE-4046520863	0.61	[C@@H]1(C[C@@]2(C3CC[C@]4([C@@](CC[C@@H]4[C@@]([C@H](O)CC(O)C(O)(C)C)(C)O)(C3=CC([C@]2([H])C[C@H]1O)=O)O)C)C)O
MCULE-6038724907	0.61	CC1([C@@]2(C[C@]1(CC=C2C)[H])[H])C
MCULE-1658645050	0.61	C1CC2=CC([C@](O)(C[C@]2(C)[C@H]([C@@H]1O)C)C(=C)C)=O
MCULE-5910552687	0.61	C1(C)(C)C(C1C=CC(C)=O)CC#N
MCULE-8928261768	0.61	C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@](C(=O)O)(C)C1
MCULE-7547377444	0.61	[C@]12(C)CC[C@@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC(Br)[C@]2(O)C(C)=O)[H]
MCULE-3196927861	0.61	CC(C(CC1C2CCC(CC2)C1)=O)=C
MCULE-5296033788	0.61	C=CC(CC1C2CCC(CC2)C1)=O
MCULE-6566332427	0.61	C12=CC[C@]3(C(CC[C@]3(O)C(CO)=O)[C@]1([H])CCC1=CC(=O)CC[C@]21C)C
MCULE-7493190737	0.61	C1CCC2CCC3CCCC4C3=C2C1CC4
MCULE-6805519453	0.61	[C@]12(C)CCC(C(Cl)=C1CCC1C2CC[C@]2(C1CCC2O)C)=O
MCULE-4561792763	0.61	CC(C(F)(F)F)(C(C1CCCC=1)=O)C
MCULE-7375016319	0.61	[C@H]12C(C=O)=C(C)[C@](C)(CC[C@@H]1C(C)C)C2C(O)=O
MCULE-7110535304	0.61	C(O)(C)(CC(O)CC(O)(C)C)C1C2(C(C3C(C4(C(CC(C(C4)O)O)C(=O)C=3)C)CC2)(O)CC1)C
MCULE-9439225491	0.61	CC1C(=O)C(C)=C(CC[C@](O)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)C(=O)C=1C
MCULE-8464956672	0.61	[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(C)CCC(OCC)=O
MCULE-9033140847	0.61	[C@@]12(C)[C@](O)(CCC1C1C(C(=O)C2)[C@@]2(C)CCC(C=C2CC1)=O)C#N
MCULE-4741815186	0.61	[C@H]12C(C)=CC[C@H](C1(C)C)C2
MCULE-7933835085	0.61	[C@@]12(C)[C@](O)(CCC1C1C(C(O)C2)[C@@]2(C)CCC(C=C2CC1)=O)C#N
MCULE-9454333017	0.61	[C@]12(C)CCC(C(Cl)=C1CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)=O
MCULE-1018439007	0.61	C[C@]12CC[C@@]3([H])[C@](CCC4[C@]3(C)CCC(=O)C=4Cl)([H])[C@]1([H])CC[C@@H]2O
MCULE-1872459490	0.61	C(C[C@@]1(/C(/CC[C@@]2([H])[C@]3(C)CC[C@]([H])([C@@H](CC/C=C(\C)/C(=O)O)C)[C@@]3(C)CC[C@]21C)=C(\C(O)=O)/C)[H])C(O)=O
MCULE-3655330509	0.61	OC(C(O)=O)CC1C2C=CC(CC2)C1
MCULE-9840181952	0.61	C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@@](C(=O)O)(C)C1
MCULE-5517605547	0.61	CC1C(C)(C)C(C(C=C)=O)(C)CC1
MCULE-1331238833	0.61	CC1C(C)(C)C(C(C(C)=C)=O)(C)CC1
MCULE-8305742317	0.61	CCC12C(C#C)(O)CCC1C1CCC3C(C1C(=C)C2)CCC(=O)C=3
MCULE-2776959552	0.61	C1(=O)C(C)CC=C1C
MCULE-1844358842	0.61	[C@H]1(O)C[C@@]2(C3CC[C@]4([C@](CCC4[C@](O)(C)[C@H](O)C[C@](O)(C)C(C)C)(O)C3=CC(C2C[C@H]1O)=O)C)C
MCULE-7588379835	0.61	C1CC(C2C(O)CC(C)=CC(=O)C21C)(O)C(C)C
MCULE-1782460700	0.61	CC(C1(C2(C)C(C3C(CC2)C2(C)C(=CC(CC2)=O)C=C3)CC1)O)=O
MCULE-2745472455	0.61	C=CC(C1C2(CC2)C1)=O
MCULE-9513148820	0.61	O=C1C=C(CCC2OCCCC2)CCC1
MCULE-8716463141	0.61	C1(C)(C)CC=C(C)CCC=C(C)C(=O)C=C1
MCULE-4428892848	0.61	C1CCC2(C)C3CCC(C=C)(C)C=C3CCC2C1(C(=O)O)C
MCULE-5032910633	0.61	CC(C(C1C2(CC2)C1)=O)=C
MCULE-6144873686	0.61	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
MCULE-5660366076	0.61	C1(C(C)(C)C)C(C=1C(C)(C)C)=O
MCULE-3588728893	0.61	C1(C)C(=O)C(C)=C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)C=1C
MCULE-9857037801	0.61	C1(=O)C(C(C)C)CCC(C)C1=C
MolPort-001-825-231	0.61	CC(C)Oc1ccc2c(C)c(C)c(=O)oc2c1
MolPort-001-825-215	0.61	CC(=C)COc1ccc2ccc(=O)oc2c1
MolPort-000-145-911	0.61	CCOc1ccc2c(C)cc(=O)oc2c1
MolPort-000-656-753	0.61	CC(=C)COc1ccc2c(c1)oc(=O)c1ccccc21
MolPort-002-324-877	0.61	Cc1c(CC=C)c(=O)oc2cc(OCc3ccccc3)ccc12
MolPort-002-261-167	0.61	CCc1cc2c(C)cc(=O)oc2cc1OCc1cccc(OC)c1
MolPort-000-842-544	0.61	COC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC
MolPort-002-259-826	0.61	CCc1cc2c(C)cc(=O)oc2cc1OCc1ccccc1OC
MolPort-001-742-701	0.61	COc1cc2oc(=O)ccc2cc1C(O)C(O)C(C)(C)O
MolPort-000-659-669	0.61	COc1ccc2c(c1)oc(=O)c1ccccc21
MolPort-000-787-598	0.61	COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1
MolPort-000-688-511	0.61	CCc1cc(=O)oc2cc(OCC(C)=O)ccc12
MolPort-002-248-262	0.61	CCc1c(C)c2ccc(OCC=C(C)C)c(C)c2oc1=O
MolPort-000-693-997	0.60	CCc1cc2c(cc(=O)oc2cc1OCC=C(C)C)-c1ccccc1
MolPort-000-649-961	0.60	O=C(COc1ccc2c(c1)oc(=O)c1ccccc21)c1ccccc1
MolPort-028-610-087	0.60	COc1c(CC=C(C)C)c(O)c2c(occ(-c3ccc(O)cc3O)c2=O)c1CC=C(C)C
MolPort-002-123-618	0.60	CCCOc1cc(C)cc2oc(=O)cc(C)c12
MolPort-002-227-883	0.60	O=C(COc1ccc2ccc(=O)oc2c1)c1ccc2ccccc2c1
MolPort-001-683-550	0.60	CC(=C)COc1ccc2c(C)c(C)c(=O)oc2c1
MolPort-002-200-246	0.60	O=C(COc1ccc2c(c1)oc(=O)c1ccccc21)c1ccc2ccccc2c1
MolPort-002-323-474	0.60	O=C(COc1ccc2ccc(=O)oc2c1)c1ccccc1
MolPort-044-726-876	0.60	COc1c(O)cc2oc3cc(O)c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C
MolPort-005-516-217	0.60	CCc1cc2c(CN(C)Cc3ccc(OC)c(OC)c3OC)cc(=O)oc2cc1O
MolPort-039-052-631	0.60	CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3c(O)cccc3c(=O)c2c1O
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