Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MolPort-039-339-184	1	C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C
MolPort-039-338-279	1	C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]44C[C@@]34CC[C@]12C
MCULE-3997698187	1	C1C[C@]23C[C@@]42CC[C@]2(C)[C@@]([H])([C@@H](C/C=C/C(O)(C)C)C)CC[C@@]2(C)[C@]4([H])CC[C@@]3([H])[C@H](C)[C@H]1O
MCULE-1943700997	0.94	OC(C12CCCC1C2)C1CCCC=1
MCULE-9014720947	0.94	OC(C12CCCCC1C2)C1CCCC=1
MCULE-3033801776	0.94	OC(C12CCCC1C2)C1CCCCC=1
MCULE-6129970627	0.91	C12C3C(C)C(C)C4C56CC(O)C=CC35C6C1C24
MCULE-2204393281	0.91	C1C2CC2CCCC([H])(O)C=1
MolPort-035-830-820	0.88	OC1CCCCCC=C1
MolPort-002-801-261	0.88	C[C@]12CCC3C(CC[C@@]4(C)CC(C)(O)C=C[C@]34C)C1CC[C@@H]2O
MolPort-002-130-829	0.88	OC1(CCCCC1)\C=C\C1(O)CCCCC1
MolPort-046-764-560	0.88	CC1(O)CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C
MolPort-046-693-102	0.88	C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@H]34)[C@@H]1CC[C@@H]2O
MolPort-046-761-473	0.88	CC[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@H]34)[C@@H]1CC[C@@H]2O
MCULE-8984962328	0.88	[H]C12CC(O)C=CC1(C)C1CCC3(C)CCCC3C1CC2
MCULE-9945451158	0.88	[C@]12(C)C=CC(C[C@]1(C)CCC1C2CC[C@]2(C1CC[C@@H]2O)C)(C)O
MCULE-1110457062	0.88	OC(C1CCCCC=1)C1C(C2CC2)C1
MCULE-6275089676	0.88	CC(C1C(C(C2CCCC=2)O)C1)(C)C
MCULE-7791473919	0.88	C(C1(CCCCC1)O)=CC1(CCCCC1)O
MCULE-1784949358	0.88	OC(C1CCCC=1)C1C(C2CC2)C1
MCULE-6877512765	0.88	C12CC1C=CC([H])(O)C1CC12
MCULE-1025553559	0.88	C(C1=CCCC2(CCCCC2)C1)O
MolPort-039-338-246	0.86	CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-039-338-103	0.86	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-002-911-095	0.86	CC(C)CCCC(C)C1CCC2C3CC(O)C4=CC(O)CCC4(C)C3CCC12C
MCULE-4355376092	0.86	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])C[C@@H](O)C2=C[C@H]1O
MolPort-039-052-643	0.85	CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-039-338-303	0.85	C[C@@H]1CC[C@]2(C)[C@H](C[C@H](O)C=C2C)[C@@]1(C)CC[C@@](C)(O)C=C
MolPort-045-971-977	0.85	CC1(C)C2CC=C(CO)CC12
MolPort-002-799-485	0.85	CC1(C)CCC[C@]2(C)[C@H](O)C=CC[C@@H]12
MolPort-003-846-086	0.85	CC1=C(CO)C(C)(C)CCC1
MolPort-046-153-723	0.85	CC1(C)[C@@H]2CCC(CO)=C[C@H]12
MCULE-1747951282	0.85	C1CC23C=CC(O)([H])C2(CCCC3)CC1
MCULE-6114329924	0.85	[C@H]1(O)C[C@]2([H])[C@@](C)(CC[C@@](O)(C=C)C)[C@H](C)CC[C@@]2(C)C(C)=C1
MCULE-2011068282	0.85	C1(CO)C(C)(C)CCCC=1C
MolPort-001-921-993	0.84	CC(C)\C=C1/CCCCC1O
MCULE-5147208258	0.84	C/C(/C)=C/C(C1CC2C(C2)CC1)O
MCULE-8699525142	0.84	C1(CCCCC1O)=CC(C)C
MCULE-8031555619	0.84	CC(C=C1CC2CC(CC2)C1)O
MCULE-2613547392	0.84	C/C(/C)=C/C(C12CCCCC1C2)O
MCULE-5667364535	0.84	C(C=CC(O)CCCCC)(C)(C)C
MCULE-8309101837	0.84	C/C(/C)=C/C1(CC2CC(CC2)C1)O
MCULE-5296220089	0.84	C/C(/C)=C/C(C12CCCC1C2)O
MolPort-044-723-460	0.83	C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2
MCULE-8676658606	0.83	C1(O)CC2CC2C=C1
MCULE-9641907119	0.83	C12C(C)(O)C=CC(C1)CC2
MCULE-9379929413	0.83	C1(O)CC2(C)CC2(C)C=C1
MolPort-001-740-292	0.82	C\C(CC[C@@H]1[C@@](C)(O)CCC2C(C)(C)CCC[C@@]12C)=C\CO
MolPort-001-764-871	0.82	OC12CCC(CC1)C=C2
MolPort-001-740-290	0.82	C\C(CC[C@@H]1[C@@](C)(O)CCC2C(C)(CO)CCC[C@@]12C)=C\CO
MolPort-023-299-064	0.82	C\C(CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C)=C/CO
MolPort-038-949-343	0.82	CC1=C(CO)CCC(C)(C)C1
MolPort-002-508-554	0.82	C\C(CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C)=C\CO
MCULE-4923642243	0.82	C1(CO)=C(C)CC2CC1C2(C)C
MCULE-3250846744	0.82	CC1CC(C(C2CCCC=2)O)C1
MCULE-6313856149	0.82	CC1CC(C(C2CCCCC=2)O)C1
MCULE-6995939226	0.82	CC1CC(C(C2CCCCCC=2)O)C1
MCULE-1119605098	0.82	OC(C1CCCC=1)C1CC2(CCC2)C1
MCULE-3817844296	0.82	OC/C=C(\C)/CC[C@@H]1[C@]2(C)[C@H](C(C)(C)CCC2)CC[C@@]1(C)O
MolPort-046-418-007	0.81	C\C(=C/CO)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-4207978869	0.81	CC(/C=C1\CCC2(CC2)CC\1)O
MCULE-5997570138	0.81	C(=CC(O)CC(C)C)CCCCCC
MCULE-4829210533	0.81	C/C(/C)=C/C1(CCC2(CC2)CC1)O
MCULE-1395550205	0.81	CC(C=C1C(C2CC2)CCCC1)O
MCULE-4398307489	0.81	C/C(/C)=C/C1(C(C2CC2)CCCC1)O
MCULE-6794880716	0.81	C/C(/C)=C/C(C1CCC2(CC2)CC1)O
MCULE-7081887871	0.81	[C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](/C(/C)=C/CO)CC3)CC=2
MolPort-003-928-511	0.80	CC1=C[C@H](O)C2CC1C2(C)C
MolPort-035-706-344	0.80	C[C@H](\C=C\CC(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C
MolPort-029-945-688	0.80	CC1=C[C@H](O)[C@H]2C[C@@H]1C2(C)C
MCULE-2216758301	0.80	C1(C)(C)C2([H])C(O)C=C(C)C1(C2)[H]
MCULE-9458964114	0.80	C/C(/C)=C/CCC1CCCCC(O)C=1
MCULE-7918435177	0.80	C1(C)(C)[C@]2([H])C[C@@]1([H])C(C)=C[C@@H]2O
MolPort-006-169-894	0.79	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-006-394-340	0.79	[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-002-911-100	0.79	CC12CCC3C(CCC4=CCCCC34)C1CCC2O
MolPort-003-388-175	0.79	CC(C)=C1CC2C3CCC4CCCCC4(C)C3CCC2(C)C1O
MolPort-002-498-111	0.79	CC1=CC(O)CC(C)(C)C1
MolPort-035-706-291	0.79	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-039-339-158	0.79	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-764-451	0.79	[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-046-764-595	0.79	[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)C1CC[C@H]2C3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-046-426-780	0.79	[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-046-426-781	0.79	[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-046-690-006	0.79	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-764-593	0.79	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-703-143	0.79	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-690-337	0.79	C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-706-295	0.79	CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-153-107	0.79	CC(C)C(\C=C\C(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)O
MolPort-046-156-410	0.79	CC(C)[C@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C(=C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-044-561-082	0.79	C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-020-173-956	0.79	OCC1=CCCCC1
MCULE-6002311928	0.79	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-2038225383	0.79	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CCCC(C)C)C)CC[C@@]4([H])[C@]3([H])CC=C2[C@@H](O)[C@H]1O
MCULE-9038016383	0.79	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])[C@H](O)C=C2C[C@H]1O
MCULE-3710984096	0.79	C1CC2(C)C3CCC4(C)C(C(/C=C/C(C(O)C)C(C)C)C)CCC4C3C(O)C=C2CC1O
MCULE-6029934866	0.79	CC(CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C([C@@H]([C@H](CC2)O)O)=CC3)[H])([H])CC1)C)C
MCULE-3236832984	0.79	C12(C)C(C(C)CCCO)CCC1C1C(CC2)C2(CCCCC2C=C1)C
MCULE-1095982134	0.79	[H]C12CC(O)CCC1(C)C1C=CC3(C)C(CCC3C(C)CCCO)C1CC2
MCULE-2844730204	0.79	C12(C)CCC3C(CCC4CCCCC34C)C1C/C(=C(/C)\C)/C2O
MCULE-4780950529	0.79	[H]C12CCCC=C1CCC1C3CCC(O)C3(C)CCC21
MolPort-039-337-367	0.78	C\C=C\C(O)C1CCCCC1
MolPort-006-668-581	0.78	CC1(C)CCCC2(C)C(CO)C(CO)=CCC12
MolPort-006-148-399	0.78	CC(C)(O)C1CCC(CO)=CC1
MolPort-003-927-779	0.78	CC(=C)[C@H]1CCC(CO)=CC1
MolPort-003-665-516	0.78	CC(=C)C1CCC(CO)=CC1
MolPort-044-723-220	0.78	CC(C)[C@H]1C[C@H](O)C(C)=C[C@@H]1O
MolPort-042-675-300	0.78	C[C@@H](CCC=C(C)C)[C@H]1C[C@@H](O)C(C)=C[C@@H]1O
MCULE-7610155056	0.78	C1CC2(C)C(CO)C(CO)=CCC2C(C)(C)C1
MCULE-5658893659	0.78	CC(C(C=CCCCCCC)O)C
MCULE-2969279833	0.78	CC(C=C1C(C)CCCCC1)O
MCULE-2740451288	0.78	CC(C=C(CC1CCCCC1)C)O
MCULE-5586241876	0.78	C/C(/C)=C/C(C1C(C2CC2)C1)O
MCULE-9714691739	0.78	CC1C(/C=C(\C)/C)(O)CCCCC1
MCULE-4759918974	0.78	OCC=CC1CC2C(C2)C1
MCULE-9570282750	0.78	C/C(/C)=C/C(C1C(C(C)(C)C)C1)O
MCULE-7178337521	0.78	OCC=CC1CC2C(C2)CC1
MCULE-1466637402	0.78	CC(C=C(CC1CCCC1)C)O
MCULE-1889985819	0.78	C/C(/C)=C/C(CC1CCCCC1)(O)C
MCULE-2262104065	0.78	CCCCCCC=C(C(O)C)C
MCULE-7401121675	0.78	CC(CO)=CCCC(CCO)C
MCULE-7312598347	0.78	C/C(/C)=C/C(CC1CCCC1)(O)C
MCULE-9366421620	0.78	CCC1C(/C=C(\C)/C)(O)CCCCC1
MCULE-4080553011	0.78	C12([H])CCC1([H])C=CC2(O)[H]
MCULE-6754513691	0.78	[C@]1([H])([C@@H](C)CC/C=C(\C)/C)[C@@H](O)C=C(C)[C@H](O)C1
MCULE-6062917578	0.78	C/C(/C)=C/CCC1CCC(O)C=1
MCULE-6718216216	0.78	CC1CC(CC/C=C(\C)/C)=CC(O)C1
MCULE-1420218917	0.78	C(C)(=C)C1CCC(CO)=CC1
MCULE-6022003482	0.78	[C@@H]1(O)C(C)=C[C@H](O)[C@@H](C(C)C)C1
MolPort-039-052-455	0.77	CC(C)C(=C)CC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-338-184	0.77	CC[C@H](CC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MCULE-3195811210	0.77	OC1(C=CCCC1)CC1CC=CC1
MCULE-5952812721	0.77	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)[C@@H](O)C[C@@]4([H])[C@]3([H])[C@H](O)C=C2C[C@H]1O
MCULE-3774604452	0.77	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CCC(=C)C(C)C)C)[C@@H](O)C[C@@]4([H])[C@]3([H])[C@H](O)C=C2C[C@H]1O
MCULE-6689462252	0.76	OCCCC1C2C=CC(CC2)C1
MCULE-7656108129	0.76	CC1C(CC2CC=CCC2)CCC1O
MCULE-2143386080	0.76	C(O)C(C)=CCC[C@]1(C)C(=C)[C@@]2([H])C[C@]1([H])CC2
MCULE-2184969189	0.76	OCC1(CC2C(C2)C1)CC1CC=CC1
MCULE-3854807048	0.76	OC/C(=C/CC[C@@]1(C(=C)[C@@]2([H])C[C@@]1(CC2)[H])C)/C
MCULE-1097149426	0.76	OC1C(CC2CC=CCC2)CCCC1
MCULE-5343555845	0.76	OC1CC(CC2CC=CCC2)CC1
MCULE-3247130765	0.76	OC1CC(CC2CC=CCC2)CCC1
MCULE-6807015507	0.76	OC1C(CC2CC=CCC2)CCC1
MCULE-6673315997	0.76	C/C(/C)=C/C1(C2(CCCCC2)CC1)O
MCULE-5776627737	0.76	CC(C=C1C2(CCCCC2)CC1)O
MCULE-7262687357	0.76	CC(C=C1C2(CCCC2)CC1)O
MCULE-6061926963	0.76	C/C(/C)=C/C1(C2(CCCC2)CC1)O
MCULE-7904402358	0.76	C1(C)(CCC=C(C)CO)C(=C)C2CCC1C2
MCULE-7089035597	0.76	C12=CCC3(C(C)(CCC4([H])C(C(O)CCC34C)(C)C)C1(C)CCC1(C)CCC(C)C(C)C21[H])[H]
MCULE-4202348761	0.76	[H]C12CC(O)CCC1(C)C1CCC3(C)C(=C(CO)Br)CCC3C1CC2
MolPort-046-684-161	0.76	C\C(CO)=C/CC[C@@]1(C)C2CCC(C2)C1=C
MolPort-044-562-373	0.76	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-006-169-225	0.76	CC(CCC=C(C)C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3
MolPort-000-146-138	0.76	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-002-506-872	0.76	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
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