SANC00834 Alpha linolenic acid




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MCULE-8042162865 1 C(CCCCCCCC=CCC=CCC=CCC)(O)=O
MCULE-6594867113 1 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
MCULE-9405390567 1 C(CCCCCCC(=O)O)CC/C=C/C/C=C/CCCCC
MCULE-9671518710 1 C(CCCCCCC/C=C/C/C=C/CCCCC)(O)=O
MCULE-4653646367 1 C(CCCCCCCC=CCC=CCCCCC)(O)=O
MCULE-1893075589 1 CCCCC/C=C\C/C=C\CCCCCCCC(=O)O
MCULE-9082869288 1 CCCCC/C(/[H])=C(\[H])/C/C(/[H])=C(\[H])/C/C(/[H])=C(\[H])/C/C(/[H])=C(/[H])\CCCCCC(O)=O
MCULE-4209942909 1 C(/C=C\C/C=C\C/C=C\CC)CCCCCCCCCCC(=O)O
MolPort-046-761-397 1 [2H]c1cc(cc([2H])c1O)-c1coc2cc(O)cc(O)c2c1=O
MolPort-003-665-835 1 Oc1cc(O)c2c(c1)occ(-c1ccccc1)c2=O
MolPort-000-003-911 1 Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
MolPort-003-847-575 1 [2H]c1c([2H])c(c([2H])c([2H])c1O)-c1coc2cc(O)cc(O)c2c1=O
MolPort-046-761-397 1 [2H]c1cc(cc([2H])c1O)-c1coc2cc(O)cc(O)c2c1=O
MCULE-2620645862 0.97 [O-]C(=O)CCCCCCCC=CCC=CCCCCC.[K+]
MCULE-1720910553 0.97 [O-]C(=O)CCCCCCCC([H])=C([H])CC([H])=C([H])CCCCC.[Na+]
MolPort-044-183-423 0.97 [2H]c1c([2H])c(c([2H])c([2H])c1O)-c1coc2cc(O)ccc2c1=O
MolPort-044-183-423 0.97 [2H]c1c([2H])c(c([2H])c([2H])c1O)-c1coc2cc(O)ccc2c1=O
MolPort-006-392-519 0.97 [2H]c1cc(cc([2H])c1O)-c1coc2c([2H])c(O)ccc2c1=O
MolPort-000-003-017 0.97 Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
MolPort-003-846-122 0.97 [2H]c1cc2c(occ(-c3c([2H])c([2H])c(O)c([2H])c3[2H])c2=O)c([2H])c1O
MolPort-000-451-289 0.95 Oc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-000-424-557 0.93 COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
MCULE-9840181952 0.92 C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@@](C(=O)O)(C)C1
MCULE-8928261768 0.92 C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@](C(=O)O)(C)C1
MCULE-4428892848 0.92 C1CCC2(C)C3CCC(C=C)(C)C=C3CCC2C1(C(=O)O)C
MCULE-5541619791 0.92 [C@]12(C)CCC[C@@](C)(C(O)=O)[C@]1([H])CCC1=C[C@@](CC[C@]12[H])(C)C=C
MolPort-003-939-712 0.92 Oc1ccc(cc1)-c1coc2cc(O)c(O)cc2c1=O
MolPort-006-069-435 0.92 Oc1cc(O)c2c(c1)occ(-c1ccc(O)c(O)c1)c2=O
MolPort-000-565-842 0.92 Oc1cc(O)c2c(c1)occ(-c1ccc(Br)cc1)c2=O
MolPort-001-742-684 0.92 Oc1ccc(c(O)c1)-c1coc2cc(O)cc(O)c2c1=O
MolPort-003-903-411 0.91 Cc1c(O)ccc2c1occ(-c1ccccc1)c2=O
MCULE-8147130899 0.90 C(CCCCCC(=O)O)C(/C=C\C/C=C\CCCCC)O
MolPort-035-683-188 0.90 Oc1ccc(c(O)c1)-c1coc2cc(O)ccc2c1=O
MolPort-000-450-946 0.90 COc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
MolPort-000-640-505 0.90 Oc1cc2occ(-c3ccccc3)c(=O)c2cc1O
MolPort-003-939-175 0.90 COc1cc(O)c2c(c1)occ(-c1ccc(O)cc1)c2=O
MolPort-035-683-188 0.90 Oc1ccc(c(O)c1)-c1coc2cc(O)ccc2c1=O
MCULE-8798348917 0.89 C(CCCCCCC(=O)O)CCCCCC/C=C\CCCCCCCC
MCULE-6044533117 0.89 OC(CCCCCCC/C=C\CCCCCCCC)=O
MCULE-1825456795 0.89 C(O)(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCO
MCULE-8191255112 0.89 CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O
MCULE-7702176615 0.89 CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O
MCULE-7761893081 0.89 C(CCCCCC(=O)O)CC/C=C\CCCCCCCC
MCULE-9547538729 0.89 CCCCCCCCC=CCCCCCCCC(O)=O
MCULE-5077473579 0.89 C(CCCCCCC(=O)O)CCCC/C=C\CCCCCC
MCULE-3046418352 0.89 CCCCCCCC/C=C/CCCCCCCC(=O)O
MCULE-1046270451 0.89 OC(CCCCCCCC=CCCCCCCCC(=O)O)=O
MCULE-8054022250 0.89 C(CCCCCCCCC=CCCCCCC)(O)=O
MCULE-9914820446 0.89 C(/CCCCCCC(C)C)=C/CCCCC(O)=O
MCULE-7592205580 0.89 C(/CCCCCC(C)CC)=C/CCCCC(O)=O
MCULE-3248745724 0.89 C(CCCCCCCC)=CCCCCCCCCCCCC(=O)O
MolPort-000-424-539 0.89 Oc1ccc2c(c1)occ(-c1ccc(Br)cc1)c2=O
MolPort-004-964-333 0.89 COc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
MolPort-003-850-715 0.89 Oc1ccc2c(c1)occ(-c1ccc(O)c(O)c1)c2=O
MolPort-002-285-384 0.89 Cc1ccccc1-c1coc2cc(O)ccc2c1=O
MolPort-000-640-503 0.89 Oc1cc(O)c2c(c1)occ(-c1ccc(F)cc1)c2=O
MolPort-003-665-842 0.89 COc1ccc(cc1)-c1coc2cc(OC)cc(O)c2c1=O
MolPort-000-659-509 0.89 Oc1cc(O)c2c(c1)occ(-c1ccc(Cl)cc1)c2=O
MolPort-001-740-426 0.88 COc1cc(O)cc2occ(-c3ccc(O)cc3)c(=O)c12
MolPort-000-165-583 0.88 Oc1ccc(cc1)-c1coc2c(O)c(O)ccc2c1=O
MolPort-002-521-060 0.88 COc1ccc(cc1)-c1coc2cc(OC)ccc2c1=O
MolPort-004-931-036 0.87 COc1cc(OC)c2c(c1)occ(-c1ccc(O)cc1)c2=O
MolPort-000-659-510 0.87 Oc1cc(O)c2c(c1)occ(-c1ccccc1F)c2=O
MolPort-000-640-504 0.87 COc1ccc(cc1)-c1coc2cc(OC)cc(OC)c2c1=O
MolPort-003-361-281 0.87 COc1ccc(cc1)-c1coc2c(C)c(O)ccc2c1=O
MolPort-000-218-709 0.87 COc1ccc2c(c1)occ(-c1ccccc1)c2=O
MCULE-2893862044 0.86 [Na+].C(CCCCCC([O-])=O)CC=CCCCCCCCC
MCULE-7293878607 0.86 C(/C/C=C\CCCC(=O)O)=C/C/C=C\C/C=C\CCCCC
MCULE-2467601128 0.86 C1(CCCCCCCCCCCCC(=O)O)C=CCC1
MCULE-2611969931 0.86 [C@@H]1(CCCCCCCCCCCCC(=O)O)C=CCC1
MCULE-7182736800 0.86 C(CC=CCCCC(O)=O)=CCC=CCC=CCCCCC
MCULE-3222494622 0.86 C12CCC3C(C3CCC=CCCC1C2C(O)=O)C(O)=O
MCULE-9153738942 0.86 C(CCCCC=CC(C)C)(O)=O
MCULE-4188975486 0.86 O=C(CCCCCCCC=CCCCCCCCC)[O-].[K+]
MolPort-003-665-854 0.86 COc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O
MolPort-002-915-241 0.86 Cc1oc2cc(O)cc(O)c2c(=O)c1-c1ccccc1
MolPort-002-351-569 0.86 Nc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
MolPort-000-640-502 0.86 CC(C)Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
MCULE-1089286417 0.85 C(/CCCCCCCC(OC)=O)=C/C/C=C\CCCCC
MCULE-2524148130 0.85 C(CCCC(=O)OC)CCCCCC=CCC=CCC=CCC
MCULE-3753766880 0.85 C(CCCCCCCC=CCC=CCC=CCC)(OC)=O
MCULE-9968239395 0.85 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC
MCULE-8698326526 0.85 C(CCCCCCCCCC=CCC=CCCCCC)(=O)OC
MCULE-4399438587 0.85 CCCCCC=CCC=CCCCCCCCC(=O)OC
MolPort-003-847-213 0.85 CCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
MolPort-000-565-738 0.85 Oc1ccc2c(c1)occ(-c1ccc(F)cc1)c2=O
MolPort-000-450-919 0.85 Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O
MolPort-003-889-283 0.84 COc1cc2c(cc1O)occ(-c1ccc(O)cc1)c2=O
MolPort-002-521-456 0.84 CCOc1ccc2c(c1)occ(-c1ccc(OC)cc1)c2=O
MolPort-002-893-693 0.84 COc1ccc(cc1)-c1coc2ccccc2c1=O
MolPort-027-838-837 0.84 Oc1cc(O)c2c(c1)occ(-c1ccccc1Cl)c2=O
MolPort-000-450-930 0.84 CC(C)Oc1cc(O)c2c(c1)occ(-c1ccc(O)cc1)c2=O
MolPort-046-153-809 0.84 COc1ccc(cc1O)-c1coc2cc(O)cc(O)c2c1=O
MolPort-027-838-899 0.84 Oc1ccc(cc1)-c1cc2ccc(O)cc2oc1=O
MCULE-4778256781 0.84 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
MCULE-7270634760 0.84 OC(C1C(CC2CC=CCC2)CC1)=O
MCULE-7417377682 0.84 OC(C1(CC1)CC1CC=CCC1)=O
MCULE-6935719222 0.84 OC(C1C(CC2CC=CCC2)CCC1)=O
MCULE-6641232569 0.84 CC(C(O)=O)(CC1C2C=CC(CC2)C1)C
MCULE-9038165616 0.84 CC(C(O)=O)CC1C2C=CC(CC2)C1
MCULE-6413909495 0.84 CCCCCCCC/C=C\CCCCCCC(C(=O)O)O
MCULE-2170508823 0.84 C12C3C4C5C1C(C1C5C(C4CC3CC(O)=O)CC1CC(O)=O)C=C2
MCULE-1202438669 0.84 C1C=CCCC(C(O)=O)CC1
MCULE-1670830332 0.84 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-1528374574 0.84 OC(C1(CCC1)CC1CC=CCC1)=O
MCULE-5859140606 0.84 CC1CC(C(O)=O)(CC2CC=CCC2)C1
MCULE-4002345426 0.84 C1(CCCC(=CCC2C(C)(CCC2C(=C)C)CC1)C)C(=O)O
MolPort-035-705-999 0.84 COc1cc(ccc1O)-c1coc2cc(O)cc(O)c2c1=O
MolPort-003-824-820 0.84 Oc1cc(O)c2c(O)c(-c3ccccc3)c(=O)oc2c1
MolPort-039-052-664 0.84 COc1cc(O)c2c(c1)occ(-c1ccc(O)cc1O)c2=O
MolPort-027-838-837 0.84 Oc1cc(O)c2c(c1)occ(-c1ccccc1Cl)c2=O
MolPort-046-153-809 0.84 COc1ccc(cc1O)-c1coc2cc(O)cc(O)c2c1=O
MolPort-035-705-999 0.84 COc1cc(ccc1O)-c1coc2cc(O)cc(O)c2c1=O
MolPort-039-052-664 0.84 COc1cc(O)c2c(c1)occ(-c1ccc(O)cc1O)c2=O
MolPort-027-838-899 0.84 Oc1ccc(cc1)-c1cc2ccc(O)cc2oc1=O
MolPort-035-706-533 0.83 COc1ccc2c(c1)occ(-c1ccc(O)cc1O)c2=O
MolPort-039-340-753 0.83 COc1ccc(cc1)-c1coc2cc(OC)c(O)cc2c1=O
MolPort-000-451-276 0.83 Cc1oc2cc(O)ccc2c(=O)c1-c1ccccc1
MolPort-000-218-711 0.83 CCOc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-002-368-935 0.83 Oc1ccc2c(c1)occ(-c1ccccc1F)c2=O
MolPort-001-805-410 0.83 COc1ccc2c(occ(-c3ccccc3)c2=O)c1C
MolPort-009-755-018 0.83 COc1ccc(cc1)-c1coc2cc(O)c(OC)cc2c1=O
MolPort-039-340-753 0.83 COc1ccc(cc1)-c1coc2cc(OC)c(O)cc2c1=O
MolPort-035-706-533 0.83 COc1ccc2c(c1)occ(-c1ccc(O)cc1O)c2=O
MCULE-7258934827 0.83 C1C[C@@]2(C)[C@]([H])(/C=C/C(=O)C)C(=C)CC[C@]2([H])[C@](C(O)=O)(C)C1
MCULE-2422100047 0.83 C1(C/C=C/CC)=C(CCC1=O)CCCCCCCC(=O)O
MCULE-2410702763 0.83 C(O)(=O)CCCCC(O)CC(/C=C\C/C=C\CCCCC)O
MolPort-001-741-659 0.82 COc1ccc(cc1O)-c1coc2cc(O)ccc2c1=O
MolPort-002-511-374 0.82 COc1ccc2c(c1)occ(-c1ccc(Br)cc1)c2=O
MolPort-000-870-829 0.82 Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1
MolPort-003-361-278 0.82 Oc1ccc2c(occ(-c3ccccc3)c2=O)c1C=O
MolPort-002-215-881 0.82 CC(C)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-000-424-559 0.82 COc1ccc(cc1OC)-c1coc2cc(O)cc(O)c2c1=O
MolPort-019-936-965 0.82 COc1cc(O)cc2occ(-c3ccc(O)cc3O)c(=O)c12
MolPort-003-757-618 0.82 Oc1ccc2cc(-c3ccc4ccccc4c3)c(=O)oc2c1
MolPort-000-424-558 0.82 COc1ccccc1-c1coc2cc(O)cc(O)c2c1=O
MolPort-019-936-965 0.82 COc1cc(O)cc2occ(-c3ccc(O)cc3O)c(=O)c12
MCULE-9036760572 0.82 [C@@H](O)(CCCCCC)CC=CCCCCCCCC(=O)O
MCULE-8991093142 0.82 OC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC
MCULE-9156595873 0.82 C(CCCCC)C(O)CC=CCCCCCCCC(=O)O
MCULE-1190191150 0.82 OC(C1(CC1)CC1C2C=CC(CC2)C1)=O
MolPort-046-761-022 0.81 COc1cc(O)c2c(c1)occ(-c1ccc(O)c(OC)c1)c2=O
MolPort-002-237-823 0.81 COc1ccc(cc1)-c1c(C)oc2cc(O)cc(O)c2c1=O
MolPort-001-838-342 0.81 CCCc1cc2c(cc1O)occ(-c1ccccc1)c2=O
MolPort-001-808-938 0.81 COc1cccc(c1)-c1coc2cc(O)ccc2c1=O
MolPort-039-338-718 0.81 COc1cc(O)cc(c1)-c1coc2cc(O)ccc2c1=O
MolPort-039-063-534 0.81 COc1cc(ccc1O)-c1coc2cc(O)ccc2c1=O
MolPort-003-361-280 0.81 COc1ccc(cc1)-c1coc2cc(O)cc(C)c2c1=O
MolPort-000-659-586 0.81 CCc1cc2c(cc1O)occ(-c1ccc(OC)cc1)c2=O
MolPort-039-063-534 0.81 COc1cc(ccc1O)-c1coc2cc(O)ccc2c1=O
MolPort-039-338-718 0.81 COc1cc(O)cc(c1)-c1coc2cc(O)ccc2c1=O
MolPort-046-761-022 0.81 COc1cc(O)c2c(c1)occ(-c1ccc(O)c(OC)c1)c2=O
MCULE-9255224968 0.81 C(O)(=O)CCCC=CCC=CCC=CCC=CCC=CCC
MCULE-2637255261 0.81 C1C2C=CC3C(C(O)=O)C(C23)C=1
MCULE-7694867483 0.81 CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
MolPort-000-479-930 0.80 COc1ccc(cc1)-c1coc2cc(OC(C)=O)ccc2c1=O
MolPort-008-010-291 0.80 Cc1c(O)ccc2c1occ(-c1ccccc1F)c2=O
MolPort-020-172-196 0.80 CC(=O)Oc1ccc(cc1)-c1coc2cc(OC(C)=O)ccc2c1=O
MolPort-002-823-552 0.80 Oc1ccc(cc1)-c1cc2ccccc2oc1=O
MolPort-000-424-542 0.80 COc1ccc(cc1)-c1c(C)oc2cc(O)ccc2c1=O
MolPort-002-643-054 0.80 CCc1cc2c(cc1O)occ(-c1ccc(Br)cc1)c2=O
MolPort-006-657-153 0.80 CCOc1ccc(cc1)-c1coc2ccc(C)cc2c1=O
MolPort-000-662-342 0.80 Oc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O
MolPort-000-451-277 0.80 COc1ccc(cc1OC)-c1coc2cc(O)ccc2c1=O
MolPort-005-934-033 0.80 O=c1c(coc2ccccc12)-c1ccccc1
MolPort-003-939-722 0.80 COc1ccc(cc1)-c1coc2cc(OC)c(OC)cc2c1=O
MolPort-020-172-196 0.80 CC(=O)Oc1ccc(cc1)-c1coc2cc(OC(C)=O)ccc2c1=O
MCULE-3455137708 0.80 C(O)(CC(C)CC/C=C(/C)\C)=O
MCULE-1438242882 0.80 C(O)(=O)C[C@@](CC/C=C(/C)\C)(C)[H]
MolPort-002-215-156 0.79 Cc1oc2c(C)c(O)ccc2c(=O)c1-c1ccccc1
MolPort-000-870-825 0.79 COc1ccc(cc1)-c1cc2ccc(O)cc2oc1=O
MolPort-000-794-083 0.79 CCOc1ccc2c(c1)occ(-c1ccc(Br)cc1)c2=O
MolPort-002-670-746 0.79 COc1ccc(cc1)-c1coc2cc(OCCBr)ccc2c1=O
MolPort-000-424-540 0.79 Cc1oc2cc(O)ccc2c(=O)c1-c1ccc(Br)cc1
MolPort-021-804-517 0.79 COc1ccc(cc1O)-c1coc2cc(O)c(OC)cc2c1=O
MolPort-001-831-616 0.79 Cc1ccccc1-c1c(C)oc2cc(O)ccc2c1=O
MolPort-002-613-422 0.79 COc1ccc(cc1)-c1coc2cc(OCC#N)ccc2c1=O
MolPort-005-944-685 0.79 CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O
MolPort-006-657-152 0.79 Cc1ccc2occ(-c3ccccc3)c(=O)c2c1
MolPort-006-657-150 0.79 COc1ccc(cc1)-c1coc2cc(C)ccc2c1=O
MolPort-000-870-837 0.79 Oc1ccc2c(O)c(-c3ccccc3)c(=O)oc2c1
MolPort-021-804-517 0.79 COc1ccc(cc1O)-c1coc2cc(O)c(OC)cc2c1=O
MCULE-5702475533 0.79 C12(CCC(C1(C)C)(C([H])=C([H])C13CCC(C1(C)C)(C(O)=O)C3)C2)C(O)=O
MCULE-4980717954 0.79 C1CC(C)(CC(O)=O)C(C)(CC(=O)O)CC=1
MCULE-7173744939 0.79 C1C[C@]2(C)CC[C@@H](C(C(=O)O)=C)C=C2[C@@H](C)C1
MCULE-5025931577 0.79 C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)O
MCULE-1283574747 0.79 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-5384515579 0.79 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 0.79 C1CC2(C)C3CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C(=O)O)(C)C1O
MCULE-8629297693 0.79 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-4504483614 0.79 C[C@H]1[C@@H]2CCC(C)=C[C@@H]2[C@H]([C@H](C(O)=O)C)CC1
MCULE-5327458615 0.79 CC(C(=O)O)C1C2([H])C(CCC(=C2)C)([H])C(C)CC1
MCULE-5113003290 0.79 OC(C1CC2CC(CC=C2)C1)=O
MCULE-7147126046 0.79 C[C@@H](C(=O)O)[C@H]1[C@]2([H])[C@](CCC(=C2)C)([H])[C@H](C)CC1
MCULE-6438933973 0.79 CC(C(CC1CC=CCC1)=O)(O)C
MCULE-9341616847 0.79 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-3664047551 0.79 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
MolPort-027-933-726 0.78 COc1ccc(cc1)-c1coc2cc(OCC3CC3)ccc2c1=O
MolPort-002-521-675 0.78 COc1ccc2c(c1)occ(-c1ccc(OC)c(OC)c1)c2=O
MolPort-027-838-892 0.78 Cc1oc2cc(O)cc(O)c2c(=O)c1-c1ccc(Cl)cc1
MolPort-004-931-015 0.78 COc1ccc(cc1OC)-c1coc2cc(O)cc(OC)c2c1=O
MolPort-000-218-713 0.78 COc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O
MolPort-000-218-907 0.78 CC(=O)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-002-510-500 0.78 CCCCc1cc2c(cc1O)occ(-c1ccccc1)c2=O
MolPort-001-831-624 0.78 CCOc1ccc2c(occ(-c3ccccc3)c2=O)c1C
MolPort-027-838-892 0.78 Cc1oc2cc(O)cc(O)c2c(=O)c1-c1ccc(Cl)cc1
MolPort-001-833-132 0.78 Oc1c(-c2ccccc2)c(=O)oc2ccccc12
MolPort-027-933-726 0.78 COc1ccc(cc1)-c1coc2cc(OCC3CC3)ccc2c1=O
MolPort-002-228-805 0.78 COc1ccc2c(c1)occ(-c1ccc(F)cc1)c2=O
MolPort-001-801-412 0.78 CCc1cc2c(cc1OC)occ(-c1ccc(OC)cc1)c2=O
MolPort-000-425-088 0.78 COc1ccc(cc1)-c1c(C)oc2cc(OC)ccc2c1=O
MolPort-006-417-942 0.78 Cc1ccc(cc1)-c1coc2ccccc2c1=O
MolPort-005-945-072 0.78 COc1cc(cc(O)c1OC)-c1coc2cc(O)c(OC)c(O)c2c1=O
MCULE-6560423282 0.78 [C@H]1(CC(CC[C@@H]1C(O)=O)=CC/C=C(/C)\C)C(O)=O
MCULE-3865951643 0.78 C1(C(O)=O)C(C)C(C)=CC(/C=C(/C)\C)C1C(O)=O
MCULE-9085462824 0.78 OC(C1C(CC2CC=CC2)CCCC1)=O
MCULE-4255982344 0.78 C(CCCCCCCC=CCC=CCC=CCC)(OCC)=O
MCULE-1831569032 0.78 C1(CC(CCC1C(O)=O)=CC/C=C(\C)/C)C(O)=O
MCULE-6884173238 0.78 CC1C(C(O)=O)(CC2CC=CC2)CCC1
MCULE-5797133433 0.78 C(OC(=O)CCCCCCCCCC=CCC=CCCCCC)C
MCULE-4596209637 0.78 CC1CC(C(O)=O)(CC2CC=CC2)CC1
MCULE-4899138148 0.78 C1C2C3([H])C(C2(C(O)=O)C(O)(C)C)C=CC3C=1
MCULE-4304799829 0.78 C(CCCCCCCC=CCC=CCCCCC)(OCC)=O
MCULE-1984890609 0.78 C(/CCCCCCCC(OCC)=O)=C/C/C=C\C/C=C\CC
MCULE-2896292130 0.78 OC(C1(CC1)CC1CC=CC1)=O
MCULE-3005532858 0.78 OC(C1(CCC1)CC1CC=CC1)=O
MCULE-2975110457 0.78 C(CC(=O)OCC)CCCCC/C=C/C/C=C/C/C=C/CC
MCULE-3553508294 0.78 OC(C1C(CC2CC=CC2)CC1)=O
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MolPort-002-509-172 0.77 CCc1cc2c(cc1OC)occ(-c1ccccc1)c2=O
MolPort-000-777-136 0.77 CCc1cc2c(cc1O)occ(-c1ccc(Cl)cc1)c2=O
MolPort-000-218-676 0.77 COc1ccc2c(c1)oc(C)c(-c1ccccc1)c2=O
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MolPort-006-657-155 0.77 Cc1cccc(c1)-c1coc2ccc(C)cc2c1=O
MolPort-002-212-721 0.77 Cc1c(O)ccc2c1occ(-c1ccccc1Cl)c2=O
MolPort-000-424-538 0.77 COc1ccccc1-c1coc2cc(O)ccc2c1=O
MolPort-002-228-544 0.77 CCCCOc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-000-652-312 0.77 Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1Cl)c2=O
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MolPort-002-669-604 0.77 BrCCOc1ccc2c(c1)occ(-c1ccccc1)c2=O
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MCULE-2735934269 0.77 OC1(C(CC2CC=CCC2)=O)CCCC1
MCULE-7369936803 0.77 [C@H]1(CC=CCC)C(CC[C@@H]1CC(O)=O)=O
MCULE-2546809155 0.77 CC(C(CC1C2C=CC(CC2)C1)=O)(O)C
MCULE-6190365385 0.77 C(O)(CC1(C)C(CC(O)=O)(CC=C2C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC12)[H])=O
MCULE-9024921933 0.77 OC(C(CC1C2C=CC(CC2)C1)=O)=O
MCULE-5225374056 0.77 CC(C(CC1C2C=CC(CC2)C1)=O)O
MCULE-9310117393 0.77 C1CC2(C)C3CCC(C)(C=C)C=C3C(O)CC2C(C(=O)O)(C)C1
MCULE-1300466204 0.77 OC(=O)CC(O)C(C)C/C=C/CC(C)C(O)CC(=O)O
MCULE-3655330509 0.77 OC(C(O)=O)CC1C2C=CC(CC2)C1
MCULE-4320729921 0.77 C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
MCULE-2911613762 0.77 [C@H]1(C[C@H]2C[C@@H]1C=C2)CC(O)=O
MCULE-4777198621 0.77 CCCCC/C=C\CCCCCC(C(=O)O)C(O)CC(=O)O
MCULE-5111117747 0.76 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-4690400847 0.76 C1(CCCCCCC(=O)O)CC[C@@H](O)C=1
MCULE-6534469638 0.76 C(CCCCC=CCCCC)CCC(=O)OC
MCULE-5533097898 0.76 C(CCCC(=O)OC)CCCC=CCCCCCC
MCULE-9335086572 0.76 CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(=O)CCC5(C)C4CC=C32)CC1
MCULE-6888052424 0.76 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-7708235386 0.76 OC(C1(CC=CC1)CC1CC=CCC1)=O
MCULE-5064546197 0.76 [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-3588728893 0.76 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-8045386580 0.76 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
MolPort-004-931-078 0.76 Oc1ccc2c(O)c(-c3ccc(Br)cc3)c(=O)oc2c1
MolPort-000-653-100 0.76 COc1ccc2c(c1)occ(-c1ccccc1OC)c2=O
MolPort-000-218-237 0.76 COc1ccc2c(c1)oc(C)c(-c1ccc(cc1)-c1ccccc1)c2=O
MolPort-002-510-141 0.76 Cc1oc2cc(O)ccc2c(=O)c1-c1ccc(N)cc1
MolPort-003-080-057 0.76 COc1ccc2cc(-c3ccccc3)c(=O)oc2c1
MolPort-044-754-114 0.76 CC(C)=CCc1cc(cc(CC=C(C)C)c1O)-c1coc2cc(O)cc(O)c2c1=O
MolPort-002-520-783 0.76 COc1ccc(cc1)-c1coc2cc(OCc3ccc(C)cc3)ccc2c1=O
MolPort-002-644-861 0.76 COc1ccc(cc1)-c1coc2cc(OC(=O)C(C)(C)C)ccc2c1=O
MolPort-002-521-008 0.76 COc1ccc(cc1)-c1coc2cc(OCC(C)=C)ccc2c1=O
MolPort-002-511-311 0.76 CCc1cc2c(cc1OC)occ(-c1ccc(OC(C)C)cc1)c2=O
MolPort-002-521-768 0.76 COc1ccc(cc1)-c1coc2cc(OC(=O)C(C)C)ccc2c1=O
MolPort-002-671-305 0.76 BrCCOc1ccc2c(c1)occ(-c1ccc(Br)cc1)c2=O
MolPort-028-753-949 0.76 O=c1c(coc2cc(OCc3ccccc3)ccc12)-c1ccc(OCc2ccccc2)cc1
MolPort-001-831-617 0.76 Cc1ccccc1-c1c(C)oc2c(C)c(O)ccc2c1=O
MolPort-002-915-396 0.76 CC(=O)Oc1ccc(cc1)-c1coc2cc(OC(C)=O)cc(OC(C)=O)c2c1=O
MolPort-046-765-451 0.76 [Na+].[Na+].[O-]c1ccc2c(c1)occ(-c1ccc(OS([O-])(=O)=O)cc1)c2=O
MolPort-002-230-850 0.76 COc1ccc(cc1)-c1c(C)oc2c(C)c(O)ccc2c1=O
MolPort-000-870-839 0.76 COc1ccc(cc1)-c1c(O)c2ccc(O)cc2oc1=O
MolPort-046-765-451 0.76 [Na+].[Na+].[O-]c1ccc2c(c1)occ(-c1ccc(OS([O-])(=O)=O)cc1)c2=O
MolPort-002-522-001 0.76 COc1ccc(cc1)-c1coc2cc(OCc3ccccc3)ccc2c1=O
MolPort-046-424-749 0.76 Oc1ccc2c(c1)oc(O)c(-c1ccc(Cl)cc1)c2=O
MolPort-028-753-949 0.76 O=c1c(coc2cc(OCc3ccccc3)ccc12)-c1ccc(OCc2ccccc2)cc1
MolPort-003-770-426 0.76 COc1ccc(cc1)-c1coc2cc(OCC(O)=O)ccc2c1=O
MolPort-046-424-749 0.76 Oc1ccc2c(c1)oc(O)c(-c1ccc(Cl)cc1)c2=O
MolPort-000-424-922 0.76 COc1ccc(cc1)-c1coc2cc(OC(C)=O)cc(OC(C)=O)c2c1=O
MolPort-035-705-996 0.76 CC(C)=CCc1cc(ccc1O)-c1coc2cc(O)cc(O)c2c1=O
MolPort-035-705-996 0.76 CC(C)=CCc1cc(ccc1O)-c1coc2cc(O)cc(O)c2c1=O
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MCULE-4995415924 0.76 C(CCC)CCCC/C=C\CCCCCCCC(=O)OC
MCULE-7510220469 0.76 C1CC2[C@@](CC[C@H]([C@]2(C)CCC(C)CC(=O)O)C)(C(=C1)CO)C
MCULE-1308336736 0.76 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 0.76 CC1CC(C(O)=O)(C2C=CCCC2)C1
MCULE-2451101251 0.76 C12(C)C(C(C)CC(O)=O)CCC1C1C(CC2O)C2(C)CCC(CC2C=C1)O
MCULE-8140747078 0.76 C(CCCCCCCC=CCCCCCCCC)(OC)=O
MCULE-2350131012 0.76 C(CCCCCCCCC=CCCCCCC)(OC)=O
MCULE-9439225491 0.76 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-6367656540 0.76 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-6767000432 0.76 C1CCC(C(O)=O)CCC=1
MCULE-3684696083 0.76 CCCCCC/C=C/CCCCCCCC(OC)=O
MCULE-6541953240 0.76 C1CCC(C(C)(C(O)=O)C)=CCCC1
MCULE-7677256646 0.76 OC(C1(CC=CC1)CC1CCCC=1)=O
MCULE-1052417281 0.76 C(CCCCCCCCCCCCCC=CCCCCCCCC)(OC)=O
MCULE-3143886740 0.76 C12(C)CCC3(C(CC(CC3)(C)C)C1=CCC1C2(C)CCC2C1(C)CCC(O)C2(C)C)C(O)=O
MCULE-7088367969 0.76 [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-8493572612 0.76 C([H])(CCCCCCCC)=C(CCCCCCCCCCCC(=O)OC)[H]
MCULE-9474095410 0.76 [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-1579293561 0.76 CC/C=C\C/C=C\C(O)C(O)C(O)CCCCCCCC(=O)O
MCULE-6217200752 0.76 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-1144217583 0.75 C1(C=O)CCC(CCCC(O)(C)C)=CC1
MolPort-006-657-144 0.75 Cc1ccc2c(c1)occ(-c1ccccc1)c2=O
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MolPort-003-804-011 0.75 COc1ccc(cc1)-c1c(O)c2c(OC)cc(OC)cc2oc1=O
MolPort-000-640-520 0.75 CCCCCCCCOc1cc(O)c2c(c1)occ(-c1ccc(O)cc1)c2=O
MolPort-000-450-920 0.75 O=c1c(coc2cc(OCc3ccccc3)ccc12)-c1ccccc1
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MolPort-001-818-966 0.75 CCCOc1ccc2c(occ(-c3ccccc3)c2=O)c1C
MolPort-007-981-814 0.75 COc1ccc(cc1)-c1coc2c(C)c(OCCOc3ccc4c(occ(-c5ccc(OC)cc5)c4=O)c3C)ccc2c1=O
MolPort-000-656-600 0.75 Oc1cc(O)c2c(c1)occ(-c1ccc3OCCOc3c1)c2=O
MolPort-001-740-894 0.75 CC(C)=CCc1c(O)cc2occ(-c3ccc(O)cc3O)c(=O)c2c1O
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MolPort-005-095-315 0.75 OCc1ccc(cc1)-c1coc2ccccc2c1=O
MolPort-000-870-822 0.75 Cc1c(-c2ccccc2)c(=O)oc2cc(O)ccc12
MolPort-000-838-985 0.75 Brc1ccc(cc1)-c1coc2cc(OCCOc3ccc4c(c3)occ(-c3ccc(Br)cc3)c4=O)ccc2c1=O
MolPort-000-425-039 0.75 CC(=O)Oc1ccc2c(c1)occ(-c1ccc(Br)cc1)c2=O
MolPort-002-520-623 0.75 COC(=O)COc1ccc2c(c1)occ(-c1ccc(OC)cc1)c2=O
MolPort-000-857-957 0.75 COc1ccc(cc1)-c1coc2c(C)c(OCCBr)ccc2c1=O
MolPort-002-519-830 0.75 CCOc1ccc2c(c1)occ(-c1ccc(OC)c(OC)c1)c2=O
MolPort-000-218-719 0.75 CCOc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O
MolPort-000-425-093 0.75 CCOc1ccc2c(c1)oc(C)c(-c1ccc(OC)cc1)c2=O
MolPort-002-143-397 0.75 COc1ccc(cc1)-c1cc2c(ccc3ccccc23)oc1=O
MolPort-000-451-028 0.75 Cc1oc2cc(O)ccc2c(=O)c1-c1ccc(Cl)cc1
MolPort-003-726-792 0.75 OC(=O)COc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-000-666-838 0.75 COC(=O)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-002-132-778 0.75 Cc1oc2cc(O)ccc2c(=O)c1-c1ccc(F)cc1
MolPort-000-218-790 0.75 O=c1c(coc2cc(OCc3cccc4ccccc34)ccc12)-c1ccccc1
MolPort-002-217-341 0.75 CCc1cc2c(cc1O)oc(C)c(-c1ccccc1)c2=O
MCULE-3800481886 0.74 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-2313378449 0.74 C(O)(C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-6409888378 0.74 C1[C@]2([H])[C@@](C(O)=O)(CC[C@]3(C)C2=CC[C@@]2([H])[C@@]3(C)CC[C@]3([H])[C@]2(C)CC[C@H](O)[C@]3(CO)C)CCC1(C)C
MCULE-9679346580 0.74 C(O)(C1C2C(=C(C)C)C(C=C2)C1C(O)=O)=O
MCULE-7053911643 0.74 C(O)(=O)CC1C(CC=CC)CC(C1)=O
MCULE-9797468470 0.74 CCC([C@]1(C)[C@@]2(C)C[C@H](O)[C@@H]3[C@]4(C)C(=CC(C=C4)=O)CC[C@H]3[C@@H]2C[C@H]1C)=O
MCULE-4819154807 0.74 C1C[C@@]2(C)C(CC(C(=C2CCC(C)CC(O)=O)C)=O)C(C1)(C)C
MCULE-2605863241 0.74 C1C[C@@]2(C)C(C(C=C([C@@H]2CC[C@H](C)CC(O)=O)C)=O)C(C1)(C)C
MCULE-5855122450 0.74 C12C/C(=C(/C)\C)/C(=O)C=C(C)C1CCC2(C)O
MCULE-5390747778 0.74 [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-2653535248 0.74 C1(CC2C(C(=C1)C)(CCC(C2(CCC(C)CC(=O)O)C)C)C)=O
MCULE-2671029853 0.74 [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-2299251979 0.74 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-5683974067 0.74 C1C[C@]2(C([C@](C(O)=O)(C)C1)CCC13C2CCC(C(CO)=C1)C3)C
MCULE-9211922250 0.74 C12[C@H]3[C@@](CCC(C)(C)C3)(C(O)=O)CC[C@]1(C)[C@@]1(C)CC[C@@H]3[C@@](C)(CC[C@H](O)[C@@]3(C)CO)[C@H]1CC=2
MCULE-6441405293 0.74 OC(C1(CC2C(C2)C1)CC1CC=CC1)=O
MCULE-1780641937 0.74 C12=CC[C@]3([C@@](C)(CC[C@@]4([H])C([C@@H](O)[C@H](O)C[C@]34C)(C)C)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@H](C)[C@@]21[H])C(O)=O)[H]
MCULE-5887629699 0.74 C1=C[C@]2(C(=CC1=O)CC[C@@]1([H])[C@]3([H])CC[C@]([H])(C(=O)O)[C@]3(CC([C@]21[H])=O)C)C
MCULE-1693376379 0.74 CCC(OC)C(O)C/C=C\C/C=C\CCCCCCCC(=O)O
MCULE-5059257985 0.74 [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-7633761938 0.74 C(O)(C1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1)=O
MCULE-5773428311 0.74 C1C[C@]2(C)C3C(CCC2[C@](C)(C(O)=O)C1)=CC(=O)CC3
MCULE-6436563816 0.74 C(CCCCCC)CC1CC=1CCCCCCCC(=O)OC
MCULE-9209606443 0.74 C1CC2C(CCC(=O)O)C(C)C(=O)C=C2CC1
MCULE-4275950574 0.74 [C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)C(O)=O
MCULE-1067283755 0.74 C1(O)CC2(C)C3CC=C4C5CC(C)(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(C)(C)C1O
MCULE-1455068472 0.74 C1C[C@]2(C)[C@@]3([H])CCC(=O)C=C3CC[C@@]2([H])[C@](C)(C(=O)O)C1
MCULE-4110286960 0.74 [C@@]12([H])CC[C@@](O)(C)[C@@]1([H])C/C(=C(/C)\C)/C(=O)C=C2C
MCULE-8621711737 0.74 C12([H])CCC=CCCC1(C2C(OC)=O)[H]
MCULE-3171016035 0.74 C1CCC2C(C(O)=O)C2C=CC1
MCULE-3614931522 0.74 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-1602610126 0.74 CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(O)C(O)CC5(C)C4CC=C32)CC1
MCULE-3216123627 0.74 C1CC(C(C1(CC(=O)O)C)CC/C(=C/CCC(=O)C)/CO)C(C)(C)O
MCULE-2960890696 0.74 C12C(C(=O)O)C3C4C(C(C(=O)O)C(C14)C=C2)C=C3
MCULE-7400696054 0.74 C12C3C4C5C1C=CC5C2C4C(C(O)=O)C3C(O)=O
MCULE-1755461261 0.74 [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-3141539281 0.74 C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)CCC(O)=O
MCULE-2675118265 0.74 C1[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CCC1(C)C
MolPort-039-340-771 0.74 COc1cc2occ(-c3cc(OC)c(OC)c(OC)c3)c(=O)c2cc1OC
MolPort-005-945-445 0.74 CC(C)=CCc1cc(ccc1O)-c1coc2cc(O)ccc2c1=O
MolPort-000-218-223 0.74 COc1ccc(cc1)-c1c(C)oc2c(C)c(OC)ccc2c1=O
MolPort-000-649-018 0.74 Oc1ccc(cc1)-c1c(oc2cc(O)ccc2c1=O)C(F)(F)F
MolPort-000-870-824 0.74 Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1
MolPort-003-080-067 0.74 CCOc1ccc2cc(-c3ccc(OC)cc3)c(=O)oc2c1
MolPort-035-705-991 0.74 CC(C)=CCc1cc(ccc1O)-c1coc2cc(O)c(CC=C(C)C)c(O)c2c1=O
MolPort-000-450-820 0.74 Cc1ccc(COc2ccc(cc2)-c2coc3cc(OCc4ccc(C)cc4)cc(OCc4ccc(C)cc4)c3c2=O)cc1
MolPort-001-740-595 0.74 CC(C)=CCc1c(O)cc(O)c2c1occ(-c1ccc(O)cc1)c2=O
MolPort-027-933-729 0.74 COc1ccc(cc1)-c1coc2cc(OCCCC3CCCC3)ccc2c1=O
MolPort-002-620-653 0.74 Brc1ccc(cc1)-c1coc2cc(OCC#N)ccc2c1=O
MolPort-002-126-728 0.74 Oc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1
MolPort-002-521-221 0.74 COc1ccc(cc1)-c1coc2cc(OCc3ccccc3C)ccc2c1=O
MolPort-000-218-955 0.74 CCC(=O)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-017-257-625 0.74 COc1ccc(cc1)-c1coc2ccc(F)cc2c1=O
MolPort-035-705-991 0.74 CC(C)=CCc1cc(ccc1O)-c1coc2cc(O)c(CC=C(C)C)c(O)c2c1=O
MolPort-027-933-729 0.74 COc1ccc(cc1)-c1coc2cc(OCCCC3CCCC3)ccc2c1=O
MolPort-001-838-324 0.74 CC(C)Oc1ccc2c(c1)occ(-c1ccc(F)cc1)c2=O
MolPort-039-340-771 0.74 COc1cc2occ(-c3cc(OC)c(OC)c(OC)c3)c(=O)c2cc1OC
MolPort-002-227-796 0.74 CCc1cc2c(cc1OC)occ(-c1ccc(cc1)C(C)C)c2=O
MolPort-000-219-010 0.74 CC(C)(C)C(=O)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-000-566-772 0.74 COc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O
MolPort-002-522-330 0.74 CC(=C)COc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-000-218-663 0.74 Cc1ccc(COc2ccc3c(c2)occ(-c2ccccc2)c3=O)cc1
MCULE-7712069033 0.73 C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)C(CCC21)O)=O
MCULE-3305395898 0.73 C12C3C4C5C1C(C1C5C5C4C(C(O)C5C1=O)C3=O)C=C2
MCULE-4926555419 0.73 C1C(C)C(C(O)=O)/C(=C(/C)\C)/C1
MCULE-7136534003 0.73 CC=CCC1(C(O)=O)CC2(CCC2)C1
MCULE-3541967763 0.73 [C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)CO
MCULE-5453524094 0.73 OC(C1CC(CC2CC=CC2)(O)C1)=O
MCULE-3490312737 0.73 C/C(/C)=C\CC1(C(O)=O)CC2(CCC2)C1
MCULE-2810354958 0.73 C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
MCULE-1733908720 0.73 CCCCCCCCCCCCOC(CCCCCCCC=CCC=CCCCCC)=O
MolPort-003-780-574 0.73 CC(Oc1ccc2c(c1)occ(-c1ccccc1)c2=O)C(O)=O
MolPort-001-838-336 0.73 CC(C)Oc1ccc2c(c1)occ(-c1ccccc1F)c2=O
MolPort-002-121-314 0.73 CCc1cc2c(cc1O)occ(-c1ccccc1Cl)c2=O
MolPort-002-214-856 0.73 COc1ccc2c(oc(C)c(-c3ccccc3)c2=O)c1C
MolPort-008-390-233 0.73 Cc1oc2cc(O)ccc2c(=O)c1-c1ccccc1F
MolPort-015-163-138 0.73 COc1ccc(cc1)-c1cc2c(OC)c(OC)c(OC)cc2oc1=O
MolPort-000-658-459 0.73 Oc1ccc2c(c1)occ(-c1ccc(cc1)[N+]([O-])=O)c2=O
MolPort-044-376-027 0.73 COc1ccc(cc1)-c1coc2cc3OCCOc3cc2c1=O
MolPort-000-653-101 0.73 CCOc1ccc2c(c1)occ(-c1ccccc1OC)c2=O
MolPort-000-649-057 0.73 CCCc1cc2c(cc1OC)occ(-c1ccccc1)c2=O
MolPort-000-218-230 0.73 CCOc1ccc2c(c1)oc(C)c(-c1ccc(cc1)-c1ccccc1)c2=O
MolPort-002-531-404 0.73 Cc1cccc2c1oc1cc(O)cc(O)c1c2=O
MolPort-000-669-854 0.73 Cc1ccccc1COc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-002-519-685 0.73 COc1ccc(cc1)-c1coc2cc(OC(=O)N(C)C)ccc2c1=O
MolPort-004-930-917 0.73 CCOC(=O)COc1ccc2c(c1)occ(-c1ccc(OC)cc1)c2=O
MolPort-044-181-344 0.73 COc1cc(O)cc2oc(=O)c(cc12)-c1ccc(O)cc1O
MolPort-001-801-409 0.73 CCc1cc2c(cc1OC)occ(-c1ccc(Br)cc1)c2=O
MolPort-000-450-929 0.73 NC(=O)COc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-003-286-257 0.73 Oc1ccc2c(occ(-c3ccccc3Cl)c2=O)c1O
MolPort-000-792-602 0.73 C[NH+](C)Cc1c([O-])ccc2c1occ(-c1ccccc1)c2=O
MolPort-000-218-698 0.73 CCOc1ccc2c(c1)oc(C)c(-c1ccccc1)c2=O
MolPort-000-218-697 0.73 COC(=O)COc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-000-218-822 0.73 CC(C)=CCOc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-001-831-615 0.73 COc1ccc2c(c1)oc(C)c(-c1ccccc1C)c2=O
MolPort-039-340-810 0.73 COc1cccc(c1)-c1coc2cc(OC)c(OC)cc2c1=O
MolPort-000-650-582 0.73 CN(C)Cc1c(O)ccc2c1occ(-c1ccccc1)c2=O
MolPort-001-805-409 0.73 CC(C)Oc1ccc2c(c1)oc(C)c(-c1ccccc1)c2=O
MolPort-003-757-617 0.73 COc1ccc2oc(=O)c(cc2c1)-c1ccc(O)cc1
MolPort-003-757-615 0.73 Oc1ccc(cc1)-c1cc2cc(Br)ccc2oc1=O
MolPort-000-451-359 0.73 CCOC(=O)Oc1ccc2c(c1)occ(-c1ccc(OC)cc1)c2=O
MolPort-000-425-086 0.73 COc1ccc2c(c1)oc(C)c(-c1ccc(Br)cc1)c2=O
MolPort-046-703-310 0.73 Cc1cc(O)cc2oc(=O)c(cc12)-c1ccccc1
MolPort-006-657-147 0.73 Cc1cccc(c1)-c1coc2cc(C)ccc2c1=O
MolPort-001-818-950 0.73 CC(=O)Oc1ccc2c(occ(-c3ccccc3)c2=O)c1C
MolPort-004-930-903 0.73 COc1ccc(cc1)-c1coc2cc(OCc3cc(C)ccc3C)ccc2c1=O
MolPort-039-340-810 0.73 COc1cccc(c1)-c1coc2cc(OC)c(OC)cc2c1=O
MolPort-046-703-310 0.73 Cc1cc(O)cc2oc(=O)c(cc12)-c1ccccc1
MolPort-044-181-344 0.73 COc1cc(O)cc2oc(=O)c(cc12)-c1ccc(O)cc1O
MolPort-044-376-027 0.73 COc1ccc(cc1)-c1coc2cc3OCCOc3cc2c1=O
MolPort-000-451-279 0.73 Oc1ccc2c(c1)occ(-c1ccc3OCCOc3c1)c2=O
MolPort-007-559-484 0.73 COc1ccc(cc1)-c1cc2cc(OC)ccc2oc1=O
MolPort-001-740-594 0.73 CC(C)=CCc1c(O)ccc2c1occ(-c1ccc(O)cc1)c2=O
MCULE-8251556719 0.72 [C@H]1(C/C=C\CCO)C(CC[C@@H]1CC(=O)O)=O
MCULE-9922742805 0.72 C(C)/C=C\CC(O)C(O)CCC(CCCCCCCC(O)=O)O
MCULE-8879177648 0.72 OC(C1(CC=CCC1)CC1CC=CC1)=O
MCULE-6262778979 0.72 OC1(C(CC2CC=CC2)=O)CCCCC1
MCULE-5549502379 0.72 C12C3CC(C=C3)C1C2C(O)=O
MCULE-9549608104 0.72 C12C(=O)C=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)=O)C)(C)C(=O)O
MCULE-6355846723 0.72 C1CC2=CC(=O)/C(/C[C@]2(C)[C@H]([C@@H]1O)C)=C(\C)/C
MCULE-3773650223 0.72 C1C[C@]2(C)C3C(=O)C=C(C(C)C)C(=O)C=3CC[C@@]2([H])[C@@](C)(CO)C1=O
MCULE-3741444667 0.72 C12C3C(C)(CCC(C)(C(O)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)O)C
MCULE-2582517969 0.72 C1C[C@@]2([H])[C@H](C)CC[C@@]([H])(C(C(=O)O)=C)[C@@]2([H])C=C1C
MCULE-2475543698 0.72 C1(=O)C=CC2(C)C3([H])C(O)CC4(C)C(C(CO)=O)([H])CCC4([H])C3([H])CCC2=C1
MCULE-8509022096 0.72 [C@]12(C)[C@@]([H])(CC[C@@]3(C)[C@@]4(C)C([C@@]5([H])[C@](C(=O)O)(CCC(C)(C)C5)[C@H](O)C4)=CC[C@]13[H])[C@](C)(C=O)[C@@H](O)CC2
MCULE-9852233406 0.72 OC(C(CC1CC=CC1)=O)=O
MCULE-4159649248 0.72 C(C1CC=C(CC=CC(C)C)CC1)=O
MCULE-9853941800 0.72 CC1C2CCC(C)=CC2C(C(C(O)=O)=C)CC1
MCULE-9935430898 0.72 C(C(CCCCCC)CC=CCCCCCCCC(OC)=O)(C)=O
MCULE-3959902732 0.72 OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
MCULE-4676598997 0.72 C12[C@@]3([H])[C@](C)(CC[C@](C)(C(O)=O)C3)CC[C@@]1(C)[C@]1([C@]([H])(C(=O)C=2)[C@@]2(C)CC[C@@H](C(C)(C)[C@@]2(CC1)[H])O)C
MCULE-9848650209 0.72 O[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C)CC[C@@](C(=O)O)(C)C[C@H]4C3=CC([C@@H]12)=O
MCULE-1873537798 0.72 C([C@H]1CCC(=O)[C@@H]1CCCCCCC(O)=O)=C[C@H](CCCCC)O
MCULE-4023009546 0.72 C([C@]12CCC(C)(C)C[C@@]1([H])C1=CC[C@]3([H])[C@]4(CC[C@H](O)[C@@](C)(C=O)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H]2O)C)(=O)O
MCULE-3161766037 0.72 C(O)(C1=CCCCCCCCCC1)=O
MCULE-1068095495 0.72 OC1(CCC(=O)CC1)CC1CC=CC1
MCULE-2374686913 0.72 C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(O)=O)[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-1248316974 0.72 C/C(/C)=C/CCC1(CCC(=O)CC1)O
MCULE-5624348400 0.72 C1(C(=O)O)CC2C=CC1CC2
MCULE-8838919541 0.72 OC1(C(CC2CC=CC2)=O)CCCC1
MCULE-4949013565 0.72 C(C1(C2=CCCCC2)CCCCC1)(O)=O
MolPort-000-218-931 0.72 CS(=O)(=O)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-000-661-774 0.72 Oc1ccc2c(c1)oc(c(-c1cccc3ccccc13)c2=O)C(F)(F)F
MolPort-000-666-846 0.72 CCOC(=O)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-000-451-269 0.72 Oc1ccc2c(c1)oc(c(-c1ccccc1)c2=O)C(F)(F)F
MolPort-027-838-858 0.72 OCc1c(O)ccc2c1occ(-c1ccccc1F)c2=O
MolPort-046-790-424 0.72 Oc1ccc(cc1)-c1coc2cc3OCOc3c(O)c2c1=O
MolPort-002-893-692 0.72 COc1ccccc1-c1coc2ccccc2c1=O
MolPort-000-870-821 0.72 COc1ccc(cc1)-c1c(C)c2ccc(O)cc2oc1=O
MolPort-002-283-567 0.72 CCOc1ccc2cc(-c3ccccc3)c(=O)oc2c1
MolPort-000-870-836 0.72 Oc1ccc2c(O)c(-c3ccc(Cl)cc3)c(=O)oc2c1
MolPort-000-451-357 0.72 COc1ccc(cc1OC)-c1c(C)oc2cc(O)cc(O)c2c1=O
MolPort-003-811-833 0.72 Oc1ccccc1-c1cc2ccccc2oc1=O
MolPort-004-930-941 0.72 Brc1ccc(cc1)-c1coc2cc(OCc3ccccc3)ccc2c1=O
MolPort-027-933-724 0.72 COc1ccc(cc1)-c1coc2cc(OCCCC(C)(C)C#N)ccc2c1=O
MolPort-000-218-658 0.72 Brc1ccc(COc2ccc3c(c2)occ(-c2ccccc2)c3=O)cc1
MolPort-006-657-158 0.72 Cc1ccc2occ(-c3ccc(cc3)C(C)(C)C)c(=O)c2c1
MolPort-001-740-597 0.72 CC(C)=CCc1c(O)c(CC=C(C)C)c2occ(-c3ccc(O)cc3)c(=O)c2c1O
MolPort-042-624-483 0.72 CC(C)=CCc1c(O)ccc(c1O)-c1coc2cc(O)cc(O)c2c1=O
MolPort-042-624-483 0.72 CC(C)=CCc1c(O)ccc(c1O)-c1coc2cc(O)cc(O)c2c1=O
MolPort-027-933-724 0.72 COc1ccc(cc1)-c1coc2cc(OCCCC(C)(C)C#N)ccc2c1=O
MolPort-027-838-858 0.72 OCc1c(O)ccc2c1occ(-c1ccccc1F)c2=O
MolPort-046-790-424 0.72 Oc1ccc(cc1)-c1coc2cc3OCOc3c(O)c2c1=O
MolPort-002-671-712 0.71 Clc1ccc(cc1)-c1coc2cc(OCCBr)ccc2c1=O
MolPort-002-515-946 0.71 COc1ccc2c(c1)oc(C)c(-c1ccc(N)cc1)c2=O
MolPort-000-218-680 0.71 CC(C)OC(=O)COc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-000-650-583 0.71 CCN(CC)Cc1c(O)ccc2c1occ(-c1ccccc1)c2=O
MolPort-038-973-026 0.71 CCOCC(O)COc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-000-450-917 0.71 Clc1ccc(cc1)-c1coc2cc(OCC#N)ccc2c1=O
MolPort-002-226-159 0.71 Oc1ccc2c(c1)occ(-c1cc3ccccc3o1)c2=O
MolPort-000-786-528 0.71 CC[NH+](CC)Cc1c([O-])ccc2c1occ(-c1ccccc1)c2=O
MolPort-046-598-023 0.71 Oc1ccc2c(c1)occ(-c1ccc3oc(cc3c1)C([O-])=O)c2=O
MolPort-003-080-231 0.71 COc1ccc(cc1)-c1c(C)c2ccc(OC)cc2oc1=O
MolPort-000-881-272 0.71 O=c1oc2ccccc2cc1-c1ccccc1
MolPort-000-302-284 0.71 O=c1oc2ccc3ccccc3c2cc1-c1ccccc1
MolPort-003-757-619 0.71 Oc1ccc2cc(-c3cc(F)cc(F)c3)c(=O)oc2c1
MolPort-000-424-951 0.71 Cc1ccc(COc2ccc3c(c2)occ(-c2ccc(Br)cc2)c3=O)cc1
MolPort-007-981-723 0.71 COc1cccc(c1)-c1cc2ccc(O)cc2oc1=O
MolPort-016-963-982 0.71 Cc1ccc2occ(-c3ccc(Cl)cc3)c(=O)c2c1
MolPort-002-510-547 0.71 Oc1cc(O)c2c(c1)occ(-c1ccc3OCCCOc3c1)c2=O
MolPort-000-218-771 0.71 COc1ccc(cc1)-c1c(oc2cc(O)cc(O)c2c1=O)C(F)(F)F
MolPort-002-521-186 0.71 COc1ccc(cc1)-c1coc2c(CN(C)C)c(O)ccc2c1=O
MolPort-000-828-880 0.71 COc1ccc(cc1)-c1c(C)oc2cc(OCCOc3ccc4c(c3)oc(C)c(-c3ccc(OC)cc3)c4=O)ccc2c1=O
MolPort-000-798-125 0.71 COc1ccc(cc1)-c1coc2c(C[NH+](C)C)c([O-])ccc2c1=O
MolPort-000-858-837 0.71 COc1ccc(cc1)-c1coc2cc(OCCN3CCOCC3)ccc2c1=O
MolPort-000-776-578 0.71 C[NH+](C)Cc1c([O-])ccc2c1occ(-c1ccc(Br)cc1)c2=O
MolPort-000-425-095 0.71 CC(=C)COc1ccc2c(c1)occ(-c1ccc(Br)cc1)c2=O
MolPort-002-609-814 0.71 CN(C)Cc1c(O)ccc2c1occ(-c1ccc(Br)cc1)c2=O
MolPort-000-424-545 0.71 COc1ccc(cc1)-c1c(C)oc2cc(OC(C)=O)ccc2c1=O
MolPort-004-930-898 0.71 COc1ccc(cc1)-c1coc2cc(OCc3ccc(Br)cc3)ccc2c1=O
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MolPort-038-973-026 0.71 CCOCC(O)COc1ccc2c(c1)occ(-c1ccccc1)c2=O
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MCULE-9526433855 0.71 [C@]12(C)CCC3[C@@]([H])(CC=C4CC(O)CC[C@]34C)C1C[C@@H](C)[C@]2(C)C(C)=O
MCULE-9672606479 0.71 [C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CCCC(C)=O
MCULE-5967042891 0.71 [C@]12(C)CCC3[C@@]([H])(CC([C@@]4([H])CC=CC[C@]34C)=O)C1CCC2[C@H](C)[C@@H](O)[C@H](O)[C@H](C)C(C)C
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MCULE-8616711102 0.71 C1C[C@]2(C)[C@@]3([H])CC[C@@](C=C)(C)C=C3CC[C@@]2([H])[C@](C)(CO)[C@H]1O
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MCULE-3892173219 0.71 C(CCCCCCCC=C)(O)=O
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MCULE-9909477927 0.71 OC(CC1CCCCC=1)=O
MCULE-9513706661 0.71 C1CC2(C(CCC(C2CC/C(=C\CO)/C)=C)C(C1)(C(=O)O)C)C
MCULE-6571932731 0.71 C=CCCCCCC(=O)O
MCULE-2837812117 0.71 C=C(C)CCCCC(=O)O
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MCULE-1403801057 0.71 C(CCCCCC(=O)O)CCCCCCC=C
MCULE-4269813571 0.71 [C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(C)=O)[H]
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MCULE-1085165933 0.71 [C@]12(C)CCC[C@](C)(C(=O)O)[C@]1([H])CCC(=C)[C@@H]2CCC(C)=CCO
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MCULE-2817082882 0.71 C1C[C@]2(C)[C@@]([H])(CC/C(/C)=C/CO)C(=C)CC[C@@]2([H])[C@@](C)(C(O)=O)C1
MCULE-8030446235 0.71 [C@@H]1(O)C[C@]2(C)CC[C@@H](C(C(=O)O)=C)C=C2[C@@H](C)[C@H]1O
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MCULE-2795374734 0.71 OC(C1(C2CCCC2)CC=CC1)=O
MCULE-3699449483 0.71 OC(C1(C2CCC2)CC=CC1)=O
MCULE-9625022025 0.71 CC1CCC(C(=O)O)(C)CC=1
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MCULE-4006235073 0.71 C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)=O
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MCULE-2847349308 0.71 [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)CC3)CC=2
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MolPort-000-653-103 0.70 COc1ccccc1-c1coc2cc(OC(C)=O)ccc2c1=O
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MCULE-1657159254 0.70 [C@@]12(C)[C@@H](O)CC[C@@]1([H])[C@]1([C@@]([H])([C@H]3CCC(C=C3CC1)=O)CC2)[H]
MCULE-5436553655 0.70 [C@@H]1(O)C[C@@]2([C@@]3([H])CC=C4[C@]5([C@](C(O)=O)(CCC(C)(C)C5)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@](C)(CO)[C@H]1O)[H])C
MCULE-1941485534 0.70 C12(C)C=CC(C=C1CCC1C2CCC2(C1CCC2C(C)CO)C)=O
MCULE-9478310264 0.70 C1=C[C@]2(C(=CC1=O)CCC1[C@]3([H])CC[C@](O)(C(=O)O)[C@]3(CC([C@]21[H])=O)C)C
MCULE-3946245376 0.70 C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2(C)O)C)=O
MCULE-5860324516 0.70 C1=C[C@]2(C(=CC1=O)CC[C@@]1([H])[C@]3([H])CC[C@](O)(C(O)=O)[C@@]3(C)C[C@@H]([C@]21[H])O)C
MCULE-1990275167 0.70 C12CCC3=C(CC)C(CCC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
MCULE-6957829896 0.70 [C@]12(C)CCC(C(C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC(C=C1)=O
MCULE-5183068201 0.70 C(CCCCCCCC=CCC(CCCCCC)O)(OC)=O
MCULE-9150714373 0.70 C1(C(C)(C)CCCC=1C)C(O)=O
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MCULE-3841271177 0.70 C12(C)C(O)CCC1([H])C1([H])C([H])(C3([H])CCC(C=C3CC1)=O)CC2
MCULE-5897136444 0.70 [C@@H](O)(CCCCCC)CC=CCCCCCCCC(=O)OC
MCULE-6147550234 0.70 [C@@H]1(C[C@@]2([C@@]3([H])CC=C4[C@@]5([H])[C@](CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@]([C@H]1O)(C)CO)(C(O)=O)CCC(C)(C)C5)C)O
MCULE-5685325143 0.70 C12(C)CCC3(C([H])(CC=C4CC(O)CCC34C)C1([H])CCC2C(CO)=O)[H]
MCULE-9707443606 0.70 C1C[C@]2(C)[C@@]3([H])C(=O)C=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-5677861178 0.70 [C@H]1(C(O)=O)[C@]2([H])C[C@]([H])(C1)C=C2
MCULE-1974040943 0.70 C12=CC[C@]3([C@@](C)(CC[C@]4([H])[C@]3(C)C[C@@H](O)[C@@H]([C@@]4(C)CO)O)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@H](C)[C@@]21[H])C(O)=O)[H]
MCULE-8824898935 0.70 C(CC(C(C)C)/C=C/C(=C)CCC(=O)O)C(=O)C
MCULE-2458465887 0.70 O=C(OC)CCC(C)C1CCC2C1(C)C(O)CC1C2CCC2C=CCCC21C
MCULE-2700455616 0.70 C1CC2(C)C3C(=O)C=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C)(C(=O)O)C1O
MCULE-4431659207 0.70 C1(O)CC2(C)C3CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C(CO)(C)C1O
MCULE-9693195749 0.70 [C@@H]1(O)C[C@@]2(C3CC=C4C5CC(C)(C)CC[C@]5(C(O)=O)CC[C@@]4(C)[C@]3(C)CCC2[C@]([C@@H]1O)(C)CO)C
MCULE-5757363366 0.70 C12C3C4C=CCC4C1C(C)(C(OC)=O)C1C4CCC5(C)C(O)C3(C)C(C45)C21
MCULE-1591105974 0.70 C12(CO)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)O
MCULE-1857694923 0.70 [C@@]12([H])C[C@@]([H])(C=C1)C[C@@H]2C(O)=O
MCULE-6557448423 0.70 C12CC[C@@](O)(C)C1(C)CCC1C3CCC(=O)CC=3CCC21
MCULE-2999920945 0.70 C12(C)C(C(C)CCC(OC)=O)CCC1C1C(CC2)C2(CCCCC2C=C1)C
MCULE-9942267030 0.70 C12(C)CC=C(C(CCCC(C)C)C(O)=O)CC1CCC1C3C(C)(CCC21)C(O)CC3
MCULE-5063748511 0.70 C12CCC3=CC([C@H](C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
MCULE-8721567365 0.70 [C@@]12(C)C(O)CC[C@@]1([H])[C@]1([C@@]([H])(C3CCC(C=C3CC1)=O)CC2)[H]
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MCULE-2603291254 0.69 [C@]12(C)CC(=O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
MCULE-3600048668 0.69 [C@@]12(C)C[C@@H](O)[C@@]3([C@@]([H])(CC(CC3)(C)C)C1=CC[C@@]1([H])[C@@]2(C)CC[C@@]2([C@]1(C)C[C@@H]([C@H](O)[C@@]2(C)CO)O)[H])C(O)=O
MCULE-7688714216 0.69 O=C(O)[C@@]12[C@H](O)C[C@]3(C)C(=CC[C@]4([C@@]3(C)CC[C@]3([H])[C@@]4(C[C@@H]([C@@H](C3(CO)CO)O)O)C)[H])[C@]1([H])CC(C)(C)CC2
MCULE-2950001631 0.69 C1CCCCCCC(C(O)=O)=C(C(O)=O)CC1
MCULE-1321155051 0.69 CCCCCCCC/C=C\CCCCCCCCO
MCULE-3556948980 0.69 C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=C)C(=C)CC[C@@]2([H])[C@](C(O)=O)(C)C1
MCULE-5668746450 0.69 C(=CCCCC)CCCCCCCCCC=O
MCULE-9199968322 0.69 C(CCC(=O)OCC)CCCCCCCCC=CCCCCCCCC
MCULE-2742423586 0.69 O=C1CCCCCCCC=CCCCCCCC1
MCULE-2582951504 0.69 C1CC2(C)C(C(O)=O)=CCC2C(C)(C)C1
MCULE-4874634113 0.69 C1(CCCC)(C(O)=O)CC(C)=C(CC1C(O)=O)C
MCULE-6860357182 0.69 C(CC)=CCCCCCCCCCCO
MCULE-4729751323 0.69 C[C@@H]1[C@@](C(CO)=O)(O)[C@]2(C)[C@H]([C@H]3[C@H](C(C2)=O)[C@]2(C)C(=CC(C=C2)=O)CC3)C1
MCULE-3788851533 0.69 [C@]12(C)CCC[C@@](C)(C(O)=O)C1CCC1=CC(C(C)C)=CCC12
MCULE-4272187140 0.69 C1(CC(C)=CC(C)C1C(O)=O)C(O)=O
MCULE-9535038485 0.69 C(CC(=O)OCC)CCCCC/C=C\CCCCCCCC
MCULE-4623064101 0.69 CCCCCCCCC=CCCCCCCCCCCCCO
MCULE-2445591436 0.69 C1C[C@]2([H])[C@](C(=O)O)(C)[C@H](C[C@@H](CC)O)C(C)=C[C@]2([H])CC1
MCULE-3486771028 0.69 C(CC(=O)OCC)CCCCCC=CCCCCCCCC
MCULE-4393909687 0.69 C1CC2(C)C(CCC(C)CC(=O)O)C(=C)CCC2C(C)(C(=O)O)C1
MCULE-5031139336 0.69 C12(C3C=CC1C(C3)C(O)=O)CC2
MCULE-4280394560 0.69 C1C(=O)[C@]2(C)C3CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CCC2[C@](C)(CO)[C@H]1O
MCULE-5701652206 0.69 C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@@]2(O)CCC(=O)[O-]
MCULE-4609643145 0.69 C12C(C)(C)CCCC=1CC(C(O)=O)C(C(O)=O)C2
MCULE-9564685678 0.69 C(CCCCCCCC=CCCCCCCCC)(CCCCCCCC=CCCCCCCCC)=O
MCULE-9137191737 0.69 C1(C)(C)C=C(C)CC(C(O)=O)C1C(O)=O
MCULE-2031804178 0.69 C1(CCC(C)=O)=C(C)CCC1C(C)=C
MCULE-6566332427 0.68 C12=CC[C@]3(C(CC[C@]3(O)C(CO)=O)[C@]1([H])CCC1=CC(=O)CC[C@]21C)C
MCULE-5560129850 0.68 C1C(=O)C=C(C)[C@]2(CC[C@@]([H])([C@@](O)(CO)C)C2)[C@@H]1C
MCULE-7057445911 0.68 C12C(C=CC1)C2C(O)=O
MCULE-9949303370 0.68 C(CO)(C1(O)CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-8346653877 0.68 CC1CC(C)(C)CCC=1C(=O)O
MCULE-1412596642 0.68 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(C)=O)[H]
MCULE-8005965492 0.68 [C@]12(C)CC=C3[C@@]([H])(CC[C@@]4([H])CC(=O)CC[C@]34C)C1C[C@@H](C)[C@]2(O)C(CO)=O
MCULE-7591106214 0.68 C1C(=O)C=C(C)[C@]2(CC[C@@]([H])([C@](O)(CO)C)C2)[C@@H]1C
MCULE-4904757465 0.68 C1(CCC(=O)C)C(C)CC(=O)/C(=C(\C)/C)/CC=1
MCULE-2147959975 0.68 C1[C@@]2(C)C(CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(O)C(C)=O)=CC(=O)C1
MCULE-3390693428 0.68 C12(C)CCC3C(C)(CCC(=O)C=3)C1(C)CCC1(C)C(CCC21C)C(CO)=O
MCULE-6199732071 0.68 C1(=O)C[C@@]2([H])[C@H](C)C[C@@H](O)[C@@H](C(C)C)[C@@]2([H])C=C1C
MCULE-6401226702 0.68 CC=CC(C1(CCCCC1)O)=O
MCULE-9000633244 0.68 OC(C=O)CC1CC=CC1
MCULE-4728366427 0.68 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(CO)=O)[H]
MCULE-8211700424 0.68 C(O)(=O)C(C)(CCCC(C)=C)C=C
MCULE-6334133550 0.68 C1CC([H])(CC(OC)=O)C([H])(CC(OC)=O)CC=1
MCULE-5054990207 0.68 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(CO)=O
MCULE-1251158415 0.68 [C@@]12([H])CC[C@](O)(C(=O)C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
MCULE-8197236760 0.68 CC12CCC3([H])C4(CCC(=O)C=C4C(C)CC3([H])C1([H])CCC2(O)C(=O)C)C
MCULE-1566569432 0.68 [C@]12(C)CCC(C=C1C(=O)CC1C3[C@@](C)([C@@](CC3)(CC)O)CCC12)=O
MCULE-8997971805 0.68 [C@]12(C)CCC(C=C1C(=O)CC1C3[C@@](C)([C@@](CC3)(C)O)CCC12)=O
MCULE-9205570843 0.68 C(O)(CC(=O)O)C(C/C=C\CCCCC)C(=O)O
MCULE-3987885076 0.68 C12=CC[C@]3([C@@H](CC[C@]3(O)C(CO)=O)[C@]1([H])CCC1=CC(=O)CC[C@]21C)C
MCULE-7400247321 0.68 C12C=CC(C)C1C2C(O)=O
MCULE-8934502311 0.68 C1(=O)CCC2(C)C3CCC4(C)C(C(CO)=O)CCC4C3(C)CCC2=C1
MCULE-9123998949 0.68 C1CC(CC(OC)=O)(C)C(CC(OC)=O)(C)CC=1
MCULE-4841780318 0.68 C1CC23CC=CCC2(C(O)C(=O)C3)CC=1
MCULE-7503158705 0.68 C1=CC2C=CC3C(C(C)(C(C)=O)C)=CC1C23
MCULE-6305022030 0.68 C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4[C@@H](C)C[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)C)C
MCULE-6552675485 0.68 C12(C)CCC(C=C1[C@H](CC1C3C(C)([C@@](CC3)(O)C(C)=O)CCC12)C)=O
MCULE-3688392585 0.68 O=C1C(O)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
MCULE-1387376761 0.68 C12CCC(O)C1(C)CCC1=CC(=O)CCC21
MCULE-1785744667 0.68 C1(C[C@@]2([H])[C@H](C)C[C@H](O)[C@H]([C@@]2([H])C=C1C)C(C)C)=O
MCULE-4839802180 0.68 [C@@]12([H])CC[C@H](C(=O)CO)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CCC(=O)C=C3CC[C@@]21[H]
MCULE-5865455343 0.68 CC(C=O)(CC1CC=CC1)O
MCULE-3135517908 0.68 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(C)=O
MolPort-002-520-198 0.68 COc1ccc(cc1OC)-c1coc2cc(OCC(C)=C)ccc2c1=O
MolPort-004-930-900 0.68 COc1ccc(cc1)-c1coc2cc(OCc3c(Cl)cccc3Cl)ccc2c1=O
MolPort-002-612-512 0.68 COc1ccc(cc1)-c1coc2c(CN(C)Cc3ccccc3)c(O)ccc2c1=O
MolPort-000-451-272 0.68 COc1ccc(cc1OC)-c1coc2cc(OCc3ccc(C)cc3)ccc2c1=O
MolPort-000-850-226 0.68 Brc1ccc(cc1)-c1coc2cc(OCCN3CCOCC3)ccc2c1=O
MolPort-002-654-774 0.68 COc1ccc(cc1OC)-c1coc2cc(OC(=O)C(C)(C)C)ccc2c1=O
MolPort-000-425-041 0.68 CCC(=O)Oc1ccc2c(c1)oc(C)c(-c1ccc(OC)cc1)c2=O
MolPort-002-511-441 0.68 Cc1c(O)ccc2c1occ(-c1ccc3OCCCOc3c1)c2=O
MolPort-000-772-560 0.68 COc1ccc(cc1)-c1coc2c(C[NH+](C)Cc3ccccc3)c([O-])ccc2c1=O
MolPort-005-921-366 0.68 COc1ccc(cc1)-c1coc2c(CNC(C)C)c(O)ccc2c1=O
MolPort-002-520-996 0.68 COc1ccc(cc1)-c1c(C)oc2cc(OCC(C)=C)ccc2c1=O
MolPort-000-424-813 0.68 COc1ccc2c(c1)occ(-c1ccc3OCCCOc3c1)c2=O
MolPort-006-657-161 0.68 Cc1ccc2occ(-c3cccc(OC(F)(F)F)c3)c(=O)c2c1
MolPort-002-676-418 0.68 Cc1oc2cc(OCCBr)ccc2c(=O)c1-c1ccc(Br)cc1
MolPort-005-944-787 0.68 CC(C)=CCc1c(O)c(CC=C(C)C)c2occ(-c3ccc(O)cc3O)c(=O)c2c1O
MolPort-042-675-280 0.68 CC(C)=CCc1cc(cc(O)c1O)-c1coc2cc(O)c(CC=C(C)C)c(O)c2c1=O
MolPort-000-218-909 0.68 COc1ccc(cc1)-c1c(C)oc2cc(OC(C)=O)cc(OC(C)=O)c2c1=O
MolPort-039-209-764 0.68 Cc1cc2occ(-c3ccc(N)cc3)c(=O)c2cc1C
MolPort-021-804-438 0.68 CC(C)=CCc1cc(ccc1O)-c1coc2c(CC=C(C)C)c(O)ccc2c1=O
MolPort-008-377-196 0.68 O=c1c(coc2ccccc12)-c1ccc2OCOc2c1
MolPort-002-508-772 0.68 O=c1c(coc2ccccc12)-c1ccc2OCCOc2c1
MolPort-003-757-490 0.68 COc1ccccc1-c1c(O)c2ccc(O)cc2oc1=O
MolPort-000-870-838 0.68 COc1ccc(cc1OC)-c1c(O)c2ccc(O)cc2oc1=O
MolPort-002-531-363 0.68 COc1ccc(c(OC)c1)-c1cc2ccc(OC)cc2oc1=O
MolPort-000-451-191 0.68 COc1ccc(cc1)C(=O)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-005-945-629 0.68 CC(C)=CCc1cc2c(occ(-c3ccc(O)cc3O)c2=O)c(CC=C(C)C)c1O
MolPort-000-425-007 0.68 COc1cccc(COc2ccc3c(c2)occ(-c2ccc(Br)cc2)c3=O)c1
MolPort-000-219-022 0.68 CC(C)(C)C(=O)Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O
MolPort-000-786-148 0.68 CC(C)C(=O)Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O
MolPort-000-218-746 0.68 Cc1oc2cc(OCc3cccc4ccccc34)ccc2c(=O)c1-c1ccccc1
MolPort-000-565-840 0.68 Oc1cc(O)c2c(c1)occ(-c1ccccn1)c2=O
MolPort-000-218-787 0.68 Fc1ccc(COc2ccc(cc2)-c2coc3cc(OCc4ccc(F)cc4)cc(OCc4ccc(F)cc4)c3c2=O)cc1
MolPort-038-386-097 0.68 COc1c(O)cc(O)c2c1occ(-c1ccc(OCC=C(C)C)cc1)c2=O
MolPort-044-754-117 0.68 CC(C)=CCc1cc(ccc1O)-c1coc2c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c2c1=O
MolPort-000-218-968 0.68 Clc1ccc(COc2ccc(cc2)-c2coc3cc(OCc4ccc(Cl)cc4)cc(OCc4ccc(Cl)cc4)c3c2=O)cc1
MolPort-000-218-910 0.68 COc1ccccc1-c1coc2cc(OC(C)=O)cc(OC(C)=O)c2c1=O
MolPort-006-657-138 0.68 Cc1cccc(c1)-c1coc2cc(Cl)ccc2c1=O
MolPort-000-870-819 0.68 COc1ccc(cc1)-c1c(C)c2cc(O)ccc2oc1=O
MolPort-000-870-817 0.68 Cc1c(-c2ccc(Cl)cc2)c(=O)oc2cc(O)ccc12
MolPort-003-080-065 0.68 O=c1oc2cc(OCC#N)ccc2cc1-c1ccccc1
MolPort-003-080-071 0.68 CCOc1ccc2c(C)c(-c3ccc(OC)cc3)c(=O)oc2c1
MolPort-000-218-664 0.68 Clc1ccc(COc2ccc3c(c2)occ(-c2ccc(Cl)cc2)c3=O)cc1
MolPort-000-662-344 0.68 Clc1ccccc1-c1coc2cc(OCC=C)ccc2c1=O
MolPort-000-666-905 0.68 CCC(C)OC(=O)C(C)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-002-212-334 0.68 CC(=O)Oc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O
MolPort-000-666-903 0.68 CC(C)COC(=O)C(C)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-000-666-875 0.68 CCCCOC(=O)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-002-120-660 0.68 CCOc1ccc2c(occ(-c3ccccc3Cl)c2=O)c1C
MolPort-000-218-835 0.68 CC(C)=CCOc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O
MolPort-002-120-659 0.68 Cc1oc2c(C)c(O)ccc2c(=O)c1-c1ccccc1Cl
MolPort-000-424-541 0.68 COc1ccccc1-c1c(C)oc2cc(O)ccc2c1=O
MolPort-000-450-928 0.68 Cc1ccc(COc2ccc3c(c2)occ(-c2ccc(Cl)cc2)c3=O)cc1
MolPort-000-218-232 0.68 CCc1cc2c(cc1OC)oc(C)c(-c1ccc(cc1)-c1ccccc1)c2=O
MolPort-000-218-948 0.68 CCC(=O)Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O
MolPort-000-218-699 0.68 Cc1oc2cc(OCc3ccccc3)ccc2c(=O)c1-c1ccccc1
MolPort-000-425-045 0.68 COc1ccc(cc1)-c1c(C)oc2cc(OC(=O)C(C)(C)C)ccc2c1=O
MolPort-000-854-024 0.68 BrCCOc1ccc2cc(-c3ccccc3)c(=O)oc2c1
MolPort-044-754-117 0.68 CC(C)=CCc1cc(ccc1O)-c1coc2c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c2c1=O
MolPort-021-804-438 0.68 CC(C)=CCc1cc(ccc1O)-c1coc2c(CC=C(C)C)c(O)ccc2c1=O
MolPort-042-675-280 0.68 CC(C)=CCc1cc(cc(O)c1O)-c1coc2cc(O)c(CC=C(C)C)c(O)c2c1=O
MolPort-039-209-764 0.68 Cc1cc2occ(-c3ccc(N)cc3)c(=O)c2cc1C
MolPort-038-386-097 0.68 COc1c(O)cc(O)c2c1occ(-c1ccc(OCC=C(C)C)cc1)c2=O
MolPort-000-666-888 0.67 Oc1ccc2c(occ(-c3ccccc3)c2=O)c1CN(CC=C)CC=C
MolPort-000-665-373 0.67 C=CCOC(=O)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-000-831-001 0.67 Oc1ccc2c(occ(-c3ccc(cc3)[N+]([O-])=O)c2=O)c1O
MolPort-000-219-005 0.67 Cc1oc2cc(OC(=O)C(C)(C)C)ccc2c(=O)c1-c1ccccc1
MolPort-000-218-854 0.67 C=CCOC(=O)COc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-000-829-596 0.67 Cc1oc2cc(OCCOc3ccc4c(c3)oc(C)c(-c3ccc(Br)cc3)c4=O)ccc2c(=O)c1-c1ccc(Br)cc1
MolPort-046-594-308 0.67 CC(C)=CCCC(C)=CCc1cc(ccc1O)-c1coc2cc(O)ccc2c1=O
MolPort-002-671-679 0.67 COc1ccc(cc1)-c1coc2cc(OCCN3CC(C)OC(C)C3)ccc2c1=O
MolPort-004-930-920 0.67 COc1ccc(cc1)-c1c(C)oc2cc(OCc3ccccc3C)ccc2c1=O
MolPort-002-509-298 0.67 CCc1cc2c(cc1OCc1ccccc1)occ(-c1ccc(OC)cc1)c2=O
MolPort-002-669-275 0.67 COc1ccc(cc1)-c1coc2c(C)c(OCCN3CCOCC3)ccc2c1=O
MolPort-002-528-309 0.67 COc1ccc(cc1)-c1cc2ccc(OCC(C)=C)cc2oc1=O
MolPort-002-522-782 0.67 Cc1c(O)ccc2c(cc(=O)oc12)-c1cc2ccccc2oc1=O
MolPort-002-525-959 0.67 Cc1c(O)ccc2c(cc(=O)oc12)-c1cc2c(ccc3ccccc23)oc1=O
MolPort-000-653-112 0.67 COc1ccccc1-c1coc2cc(OCC(O)=O)ccc2c1=O
MolPort-023-291-719 0.67 OC(=O)COc1ccc2c(c1)occ(-c1ccc3OCCOc3c1)c2=O
MolPort-000-425-096 0.67 COc1ccccc1-c1coc2cc(OCC(C)=C)ccc2c1=O
MolPort-000-451-361 0.67 CCOC(=O)Oc1ccc2c(c1)occ(-c1ccc(OC)c(OC)c1)c2=O
MolPort-006-657-166 0.67 CCOc1cccc(c1)-c1coc2ccc(Cl)cc2c1=O
MolPort-004-930-940 0.67 Brc1ccc(cc1)-c1coc2cc(OCc3ccc(C=C)cc3)ccc2c1=O
MolPort-001-801-401 0.67 CCc1cc2c(cc1O)occ(-c1ccc3OCOc3c1)c2=O
MolPort-008-010-292 0.67 CC(=O)Oc1ccc2c(occ(-c3ccccc3F)c2=O)c1C
MolPort-004-930-899 0.67 COc1ccc(cc1)-c1coc2cc(OCc3ccc(Cl)cc3Cl)ccc2c1=O
MolPort-000-650-585 0.67 CC(C)CN(CC(C)C)Cc1c(O)ccc2c1occ(-c1ccccc1)c2=O
MolPort-004-930-897 0.67 COc1ccc(cc1)-c1coc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2c1=O
MolPort-000-927-848 0.67 COc1ccc(cc1OC)-c1cc2c(ccc3ccccc23)oc1=O
MolPort-000-425-094 0.67 CCOc1ccc2c(c1)oc(C)c(-c1ccc(OC)c(OC)c1)c2=O
MolPort-001-924-513 0.67 Oc1c(-c2ccccc2)c(=O)c2ccc3oc4ccccc4c4ccc1c2c34
MolPort-002-121-227 0.67 COc1ccc(cc1)-c1c(C)oc2c(C)c(OC(C)=O)ccc2c1=O
MolPort-006-657-169 0.67 CC(C)(C)c1ccc(cc1)-c1coc2ccc(Cl)cc2c1=O
MolPort-000-218-253 0.67 CCOc1cc2oc(C)c(-c3ccc(OC)cc3)c(=O)c2cc1CC
MolPort-000-425-135 0.67 COc1ccc(cc1)-c1c(C)oc2cc(OCC(N)=O)ccc2c1=O
MolPort-002-641-847 0.67 COc1ccc2c(c1)oc(C)c(-c1ccccc1OC)c2=O
MolPort-002-227-057 0.67 CCc1cc2c(cc1OC)oc(C)c(-c1ccc(cc1)C(C)C)c2=O
MolPort-002-646-322 0.67 COC(=O)COc1ccc2c(c1)occ(-c1ccc3OCCOc3c1)c2=O
MolPort-002-351-554 0.67 Cc1oc2cc(OCC#N)ccc2c(=O)c1-c1ccc(Br)cc1
MolPort-002-619-285 0.67 NC(=O)COc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O
MolPort-002-610-292 0.67 O=c1c(coc2cc(OCC#N)ccc12)-c1ccc2OCCOc2c1
MolPort-000-669-070 0.67 CCCN(CCC)Cc1c(O)ccc2c1occ(-c1ccccc1)c2=O
MolPort-000-218-836 0.67 CC(=C)COc1ccc2c(c1)oc(C)c(-c1ccccc1)c2=O
MolPort-000-731-772 0.67 CCc1cc2c(cc1OC)occ(-c1ccccc1Cl)c2=O
MolPort-002-511-333 0.67 Cc1oc2cc(O)cc(O)c2c(=O)c1-c1ccc2OCCOc2c1
MolPort-002-671-256 0.67 CN1CCN(CCOc2ccc3c(c2)occ(-c2ccc(Br)cc2)c3=O)CC1
MolPort-000-218-807 0.67 Clc1cccc(Cl)c1COc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-000-666-893 0.67 CCCCOC(=O)COc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-003-080-061 0.67 CCOc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1
MolPort-002-662-641 0.67 COc1ccc(cc1OC)-c1coc2cc(OCc3ccccc3C)ccc2c1=O
MolPort-003-080-053 0.67 COc1ccc2c(C)c(-c3ccc(Br)cc3)c(=O)oc2c1
MolPort-000-680-364 0.67 CC(Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O)C(O)=O
MolPort-002-671-373 0.67 CCN1CCN(CCOc2ccc3c(c2)occ(-c2ccc(Br)cc2)c3=O)CC1
MolPort-002-520-444 0.67 COc1ccc(cc1OC)-c1coc2cc(OCC(N)=O)ccc2c1=O
MolPort-000-218-585 0.67 Clc1ccccc1COc1ccc2c(c1)occ(-c1ccccc1)c2=O
MCULE-1159166918 0.67 [C@]12(C)C[C@]([H])(O)[C@]3([C@@](C)(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])C[C@@H](O)[C@]2(O)C(=O)O)[H]
MolPort-000-694-501 0.67 COC(=O)Oc1ccc2c(c1)occ(-c1ccccc1OC)c2=O
MCULE-2300065923 0.67 C1(CCCCCCC2=CC(C=CC2=O)=O)=CC(C=CC1=O)=O
MolPort-003-757-495 0.67 Cc1oc2cc(OCC(O)=O)ccc2c(=O)c1-c1ccccc1
MCULE-4589748840 0.67 NC(C(O)=O)CC1C2C=CC(CC2)C1
MolPort-006-318-215 0.67 Cc1c(O)ccc2c(cc(=O)oc12)-c1cc2ccc(O)cc2oc1=O
MCULE-3750924928 0.67 C1C(C=O)=C[C@H](O)[C@@H](C(C)C)C1
MolPort-004-930-804 0.67 COc1ccc(cc1)-c1c(C)c2cc(OC)ccc2oc1=O
MCULE-3560182453 0.67 C1C[C@]2([C@]3([H])CC[C@H]4C(C(=O)O)=C[C@@]3(C4)CC[C@]2([H])[C@@](C)(CO)C1)C
MolPort-005-910-565 0.67 COc1ccc2oc(=O)c(cc2c1)-c1ccc(OC(C)=O)cc1
MCULE-4522488137 0.67 [C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2([H])[C@@](CO)(C)[C@H]1O
MolPort-000-852-374 0.67 COc1ccc(cc1)-c1cc2cc3c(C)coc3cc2oc1=O
MCULE-9582195314 0.67 C1(CCCCCC2=CC(C(C)=CC2=O)=O)=CC(C(C)=CC1=O)=O
MolPort-003-757-616 0.67 COc1cccc2cc(-c3ccc(O)cc3)c(=O)oc12
MCULE-4078078854 0.67 CC(C(C)=O)CC1CC=CCC1
MolPort-004-959-905 0.67 Brc1ccc(cc1)-c1cc2ccccc2oc1=O
MCULE-7065925222 0.67 C[C@]12CC=C3[C@](CCC4[C@]3(C)C=CC(=O)C=4)([H])[C@]1([H])C[C@@H](C)[C@]2(O)C(=O)CO
MolPort-000-451-360 0.67 CCOC(=O)Oc1ccc2c(c1)oc(C)c(-c1ccc(OC)cc1)c2=O
MCULE-3468058170 0.67 C1(CCCCCCC2=CC(C(C)=CC2=O)=O)=CC(C(C)=CC1=O)=O
MolPort-005-887-646 0.67 Brc1ccc2oc(=O)c(cc2c1)-c1cccc2ccccc12
MCULE-2253127357 0.67 C1(CC(C)=CCC1C(O)=O)C(O)=O
MolPort-005-921-962 0.67 CC(=O)Oc1ccc2cc(-c3ccc(OC(F)(F)F)cc3)c(=O)oc2c1
MCULE-2215895979 0.67 C1=C(C)CCC(C)(CCC(CC)O)C1C
MolPort-000-450-832 0.67 Clc1cccc(Cl)c1COc1ccc(cc1)-c1coc2cc(OCc3c(Cl)cccc3Cl)cc(OCc3c(Cl)cccc3Cl)c2c1=O
MCULE-5213682431 0.67 C1(C(O)=O)CC(C(C)C)=CCC1C(O)=O
MolPort-000-851-010 0.67 COc1ccc(cc1)-c1c(C)oc2c(C)c(OCCBr)ccc2c1=O
MCULE-2496014695 0.67 C1(C)(C(O)=O)C2CCCCC2=C2C(CCCC2)C1C(O)=O
MolPort-001-838-323 0.67 CCc1cc2c(cc1O)occ(-c1ccc3OCCOc3c1)c2=O
MCULE-6829909415 0.67 C(C(=O)O)C[C@]1(C)C2CC[C@]3(C)[C@@]([H])([C@H](C(=O)O)CC/C=C(/C)\C)[C@H](O)C[C@@]3(C)C=2CC[C@@]1([H])C(=C)C
MolPort-000-659-177 0.67 COc1ccc2c(c1)oc(c(-c1cccc3ccccc13)c2=O)C(F)(F)F
MCULE-4737898468 0.67 [H]C12CC(O)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C=1C(C2)=O
MolPort-023-291-719 0.67 OC(=O)COc1ccc2c(c1)occ(-c1ccc3OCCOc3c1)c2=O
MCULE-3724391729 0.67 C1(C(O)=O)CC(C)=C(CC1C(O)=O)C
MolPort-046-594-308 0.67 CC(C)=CCCC(C)=CCc1cc(ccc1O)-c1coc2cc(O)ccc2c1=O
MCULE-3885425015 0.67 [C@H]1(C[C@@]2([C@@]3([H])CC=C4[C@]5([C@](CC[C@@]4(C)[C@]3(C)C[C@H]([C@@]2([H])[C@](CO)([C@H]1O)C)O)(C(=O)O)CC[C@@H](C)[C@@H]5C)[H])C)O
MolPort-000-870-830 0.67 Cc1c(-c2ccc(Br)cc2)c(=O)oc2ccc(O)cc12
MCULE-2196052177 0.67 [K+].C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@@]2(O)CCC(=O)[O-]
MolPort-002-121-228 0.67 COc1ccc(cc1)-c1c(oc2c(C)c(O)ccc2c1=O)C(F)(F)F
MCULE-1091603091 0.67 C1=C(C)CC[C@@](C)(CCC(C)O)C1C
MolPort-002-282-829 0.67 COc1ccc(cc1)-c1cc2ccc(OCc3ccccc3)cc2oc1=O
MCULE-9190698368 0.67 O=C(CC1CCC(=O)C1CC=CCC)OC
MolPort-002-351-597 0.67 CCN(CC)C(=O)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O
MCULE-9700928997 0.67 C12CCCCC1C(C(O)=O)C(C1CCCCC=21)C(O)=O
MolPort-003-053-160 0.67 CCOc1ccc2c(c1)oc(C)c(-c1ccc(F)cc1)c2=O
MCULE-8339630929 0.67 C(CCCCCCCC=CCC=CCCCCC)(Cl)=O
MolPort-004-858-834 0.67 FC(F)(F)Oc1ccc(cc1)-c1cc2ccc(OCC#N)cc2oc1=O
MCULE-4298708464 0.67 C(C(N)C1CCC=CC1)C(O)=O
MolPort-000-218-749 0.67 CCOc1ccc2c(c1)oc(C)c(-c1ccc(Cl)cc1)c2=O
MCULE-5230788025 0.67 C1(=C(/CCCCCCCCCCCCC)\O)\C(=O)CC(CC\1=O)(C)C
MolPort-000-424-747 0.67 COc1ccccc1-c1coc2cc(OC(=O)C(C)C)ccc2c1=O
MCULE-6672254923 0.67 C(=O)(O)C(C)(C)C1CC[C@@]2(C(CC=C3[C@]4([H])[C@@](O)(C)[C@H](C)CC[C@]4(C(=O)O)CC[C@@]23C)[C@@]1(C)CC(=O)O)C
MolPort-000-218-674 0.67 Cc1ccc(COc2ccc3c(c2)oc(C)c(-c2ccccc2)c3=O)cc1
MCULE-2721005128 0.67 C1CC2(C(CC=1)(C(O)=O)CCCC2)CC(O)=O
MolPort-000-218-770 0.67 COc1ccccc1-c1coc2cc(OC(=O)C(C)(C)C)ccc2c1=O
MCULE-5903352413 0.67 CCCCCC1CC(=CC(=O)C1)O
MolPort-000-927-840 0.67 Brc1ccc2oc(=O)c(cc2c1)-c1ccccc1
MCULE-9765892541 0.67 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
MolPort-000-424-746 0.67 CCC(=O)Oc1ccc2c(c1)occ(-c1ccccc1OC)c2=O
MCULE-1729412984 0.67 C(C1CCC=C1)(C(O)=O)C(O)=O
MolPort-000-669-855 0.67 Cc1ccccc1COc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O
MCULE-5765051698 0.67 C(CCCC=CC(O)=O)CCCCC(O)=O
MolPort-001-831-619 0.67 Oc1ccc2c(c1)oc(c(-c1ccc(F)cc1)c2=O)C(F)(F)F
MCULE-7311176198 0.67 C(=O)(O)CCCCCCCC(O)C(O)C(O)/C=C\CCCCC
MolPort-000-669-839 0.67 Fc1ccccc1COc1ccc2c(c1)occ(-c1ccccc1)c2=O
MCULE-3465723245 0.67 [C@@H]1(CCC(=O)[C@@H]1CC=CCC)CC(=O)OC
MolPort-003-757-629 0.67 COc1ccc(cc1)-c1cc2ccc(OCC(O)=O)cc2oc1=O
MCULE-9564533694 0.67 OC(=O)/C=C/CCCCCCCCCCCC(=O)O
MolPort-003-080-095 0.67 COc1ccc(cc1)-c1cc2ccc(OCC(C)=O)cc2oc1=O
MCULE-1261827700 0.67 OC(=O)/C=C/CCCCCCCCCC(=O)O
MCULE-4929710192 0.67 C[C@@]1(CCC[C@@]2(C)[C@@]3([H])[C@]4(C[C@](CC3)([H])C(C(=O)O)=C4)CC[C@]12[H])CO
MCULE-2021957290 0.67 C(C)CCCCCCCCCCC(O)/C=C/CCC(=O)O
MCULE-2458381576 0.67 C1C2C(=O)C(CC(C(=O)O)C2)C=C1
MCULE-1479199763 0.67 C1(=O)C(C)=CCC(C(C)CC(=O)O)(C(C(C)C)=O)C1
MCULE-2519630522 0.67 C12C(CCC=C(C(O)=O)CCC1C(C)(C)C2)=C
MCULE-8227436556 0.67 C1(=O)CCCC=CCCCCCCCCCC1
MCULE-2400907851 0.67 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(CO)=O
MCULE-8485600766 0.67 O=C1C(C(C)(C)CC(C)(C)C)=CC(C(C(CC(C)(C)C)(C)C)=C1)=O
MCULE-7916341231 0.67 [C@]12(C)CCCC(=O)[C@]1([H])CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O
MCULE-1153477483 0.67 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@](O)(C(=O)CO)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MCULE-2457325018 0.67 C1CC(CCCCC(OCC)=O)CCC=1C
MCULE-4736378843 0.67 CC(C=O)(CC1CC=CCC1)C
MCULE-3473010637 0.67 O=C1CCC2(C)C3C(O)CC4(C)CCCC4C3CCC2=C1
MCULE-9341959688 0.67 [C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])C[C@@]1([H])CC=CC[C@@]21C(C)=O)[H]
MCULE-1927684059 0.67 C1C(=C[C@H](/C=C(\CO)/C(O)=O)[C@@H](C(C)C)C1)CO
MCULE-6914354313 0.67 C1=CC2C=CC3C(C(O)=O)=CC1C23
MCULE-9571611941 0.67 OC(C1(CC=CC1)CC1CC2C(C2)C1)=O
MCULE-8297574712 0.67 C1(C2CCC(C=C2)C1C(O)=O)C(O)=O
MCULE-8651982947 0.67 C(C)(C1(O)C(=C)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-8041079323 0.67 C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@]2(O)CCC(=O)[O-].[K+]
MCULE-8828485995 0.67 C[C@]12CC[C@@]3([H])C(C(=O)CC[C@]3(C)[C@]1([H])[C@H](CC1=C([C@H](C)C[C@H](O)[C@@H](O)C(=C)C)CC[C@]21C)O)(C)C
MCULE-7184031760 0.67 C[C@]12CC[C@@]3([H])C(C(=O)CC[C@]3(C)[C@]1([H])[C@H](CC1=C([C@H](C)C[C@H](O)[C@@H](O)C(O)(C)C)CC[C@]21C)O)(C)C
MCULE-4914143446 0.67 C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](O)C(O)(C)C)C)CC[C@@]4(C)C=3C(=O)C[C@@]2([H])C(C)(C)C1=O
MCULE-1352194754 0.67 C1CC2(C)C3CC=C4C5C(O)(C)C(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(C)(C)C1O
MCULE-8721851502 0.67 [C@@]12(C)C[C@@H](O)[C@@H]([C@](C)(CCC(C)(O)C=C)[C@@]1([H])CC(=O)C=C2C)C
MCULE-8877595522 0.67 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
MolPort-002-670-567 0.67 COc1ccc(cc1)-c1coc2cc(OCCN3CCCCC3)ccc2c1=O
MolPort-000-450-837 0.67 Clc1cccc(COc2ccc(cc2)-c2coc3cc(OCc4cccc(Cl)c4)cc(OCc4cccc(Cl)c4)c3c2=O)c1
MolPort-002-520-798 0.67 COc1ccc(cc1)-c1coc2cc(OCC(=O)c3ccccc3)ccc2c1=O
MolPort-000-648-968 0.67 CC(=O)Oc1ccc2c(c1)occ(-c1ccc3OCCOc3c1)c2=O
MolPort-005-972-073 0.67 Cl.COc1ccc(cc1)-c1coc2c(CNC(C)C)c(O)ccc2c1=O
MolPort-000-424-546 0.67 CC(=O)Oc1ccc2c(c1)oc(C)c(-c1ccc(Br)cc1)c2=O
MolPort-000-218-967 0.67 Clc1ccccc1COc1ccc(cc1)-c1coc2cc(OCc3ccccc3Cl)cc(OCc3ccccc3Cl)c2c1=O
MolPort-005-945-712 0.67 CC(C)=CCc1c(O)c(CC=C(C)C)c2occ(-c3ccc(O)c(O)c3)c(=O)c2c1O
MolPort-002-511-345 0.67 OC(=O)COc1cc(O)c2c(c1)occ(-c1ccc3OCCOc3c1)c2=O
MolPort-003-080-104 0.67 COc1ccc(cc1)-c1cc2ccc(OC(=O)C(C)C)cc2oc1=O
MolPort-000-479-773 0.67 COc1ccc(cc1OC)-c1cc2ccccc2oc1=O
MolPort-000-857-436 0.67 COc1ccc(cc1)-c1coc2cc(OCCN3CCC(C)CC3)ccc2c1=O
MolPort-000-424-948 0.67 COc1ccccc1-c1coc2cc(OCc3ccccc3)ccc2c1=O
MolPort-000-842-156 0.67 OCCN1CCN(CCOc2ccc3c(c2)occ(-c2ccc(Br)cc2)c3=O)CC1
MolPort-000-783-838 0.67 CC(C)C[NH+](CC(C)C)Cc1c([O-])ccc2c1occ(-c1ccccc1)c2=O
MolPort-000-479-855 0.67 COc1ccc(cc1)-c1coc2cc(Nc3ccc(C)cc3)ccc2c1=O
MolPort-003-080-101 0.67 CCC(=O)Oc1ccc2cc(-c3ccc(OC)cc3)c(=O)oc2c1
MolPort-002-217-153 0.67 COc1ccc(cc1)-c1cc2cccc(OC)c2oc1=O
MolPort-002-520-929 0.67 COc1ccc(cc1)-c1c(C)oc2cc(OCC=C(C)C)ccc2c1=O
MolPort-002-522-241 0.67 COC(=O)COc1ccc2c(c1)occ(-c1ccc(OC)c(OC)c1)c2=O
MolPort-005-945-017 0.67 CC(C)=CCC\C(C)=C\Cc1cc(ccc1O)-c1coc2cc(O)ccc2c1=O
MolPort-000-799-960 0.67 C[NH+](C)Cc1c([O-])ccc2c1occ(-c1ccc(Cl)cc1)c2=O
MolPort-000-218-678 0.67 COC(=O)COc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O
MolPort-000-662-343 0.67 CCCCOc1ccc2c(c1)occ(-c1ccccc1Cl)c2=O
MolPort-000-218-656 0.67 Clc1cccc(COc2ccc3c(c2)occ(-c2ccccc2)c3=O)c1
MolPort-000-451-062 0.67 COc1ccc2c(c1)oc(c(-c1ccccc1)c2=O)C(F)(F)F
MolPort-000-479-840 0.67 CN(C)Cc1c(O)ccc2c1occ(-c1ccc(Cl)cc1)c2=O
MolPort-002-215-553 0.66 CCc1cc2c(cc1O)oc(c(-c1ccccc1)c2=O)C(F)(F)F
MolPort-002-617-513 0.66 CCN1CCN(Cc2c(O)ccc3c2occ(-c2ccccc2)c3=O)CC1
MolPort-000-219-000 0.66 O=C(Oc1ccc2c(c1)occ(-c1ccccc1)c2=O)C1CCCCC1
MolPort-016-589-469 0.66 Cc1oc2c(CO)c(O)ccc2c(=O)c1-c1ccc(F)cc1
MolPort-000-775-558 0.66 CCN1CC[NH+](Cc2c([O-])ccc3c2occ(-c2ccccc2)c3=O)CC1
MolPort-000-651-265 0.66 CN1CCN(Cc2c(O)ccc3c2occ(-c2ccccc2)c3=O)CC1
MolPort-000-218-930 0.66 CS(=O)(=O)Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O
MolPort-000-218-918 0.66 Oc1ccc2c(c1)oc(c(-c1ccc(Cl)cc1)c2=O)C(F)(F)F
MolPort-002-522-298 0.66 Cc1ccccc1COc1ccc2c(c1)oc(C)c(-c1ccccc1)c2=O
MolPort-002-540-894 0.66 Cc1oc2cc(O)ccc2c(=O)c1-c1ccc(cc1)[N+]([O-])=O
MolPort-000-853-331 0.66 CC1CCN(CCOc2ccc3c(c2)occ(-c2ccccc2)c3=O)CC1
MolPort-000-666-904 0.66 CCCCOC(=O)C(C)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-000-669-081 0.66 Oc1ccc2c(occ(-c3ccccc3)c2=O)c1CN1CCN(Cc2ccccc2)CC1
MolPort-000-218-586 0.66 Clc1ccc(cc1)-c1coc2cc(OCc3ccccc3Cl)ccc2c1=O
MolPort-002-228-784 0.66 CCc1cc2c(cc1O)oc(c(-c1ccc3ccccc3c1)c2=O)C(F)(F)F
MolPort-000-424-953 0.66 COc1ccccc1-c1coc2cc(OCc3ccc(C)cc3)ccc2c1=O
MolPort-000-218-824 0.66 O=C(COc1ccc2c(c1)occ(-c1ccccc1)c2=O)c1ccccc1
MolPort-004-930-904 0.66 Cc1ccc(C)c(COc2ccc3c(c2)occ(-c2ccc(Cl)cc2)c3=O)c1
MolPort-000-218-725 0.66 Clc1ccc(cc1)-c1coc2cc(OCc3cccc(Cl)c3)ccc2c1=O
MolPort-000-218-726 0.66 COC(=O)COc1ccc2c(c1)oc(C)c(-c1ccccc1)c2=O
MolPort-001-836-074 0.66 COc1ccc2c(c1)occ(-c1cc3ccccc3o1)c2=O
MolPort-000-219-027 0.66 Cc1ccccc1C(=O)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O
MolPort-003-711-912 0.66 CCCCCCc1cc2c(cc1OC)occ(-c1ccc(Br)cc1)c2=O
MolPort-002-521-241 0.66 CC(C)=CCOc1ccc2c(c1)oc(C)c(-c1ccccc1)c2=O
MolPort-002-611-512 0.66 CCOc1ccc2c(c1)oc(c(-c1ccc(OC)cc1)c2=O)C(F)(F)F
MolPort-000-425-027 0.66 COc1ccc(COc2ccc3c(c2)occ(-c2ccccc2OC)c3=O)cc1
MolPort-005-945-277 0.66 Oc1ccc(cc1)-c1cc(=O)c2c(O)c(c(O)cc2o1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1
MCULE-1327121373 0.66 CC(CC1(C(O)=O)CC2(CCC2)C1)=C
MolPort-004-930-784 0.66 COc1ccc2oc(=O)c(c(C)c2c1)-c1ccccc1
MCULE-7281525757 0.66 C1(C)(C)C(CCC1=C)CC(O)=O
MolPort-000-635-746 0.66 Nc1oc2ccccc2c(=O)c1-c1cccc2ccccc12
MCULE-4617598220 0.66 CC(C1(C(O)=O)CC2(CCC2)C1)C=C
MolPort-000-635-752 0.66 Nc1oc2cc3ccccc3cc2c(=O)c1-c1ccccc1
MCULE-5456178986 0.66 OC(=O)[C@]1([C@]2(CC[C@]34C[C@H](C(=C)C3)CC[C@@]4([H])[C@]2(C)CCC1)[H])C
MolPort-000-635-735 0.66 Nc1oc2ccccc2c(=O)c1-c1ccccc1
MCULE-7638135284 0.66 C1(O)CC2(C)C3CC=C4C5C(O)(C)C(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C(C)(C)C1=O
MolPort-039-337-160 0.66 Cc1cc(=O)c2c(O)c(C)c(O)c(C)c2o1
MCULE-8919412541 0.66 C12CC(C(C(O)=O)C1C(O)=O)C=C2
MolPort-002-535-773 0.66 COc1ccc(cc1OC)-c1coc2cc(OC(=O)N(C)C)cc(O)c2c1=O
MCULE-5486459234 0.66 OC(C1(CC2(CCC2)C1)CC=C)=O
MolPort-027-838-828 0.66 COc1ccccc1-c1coc2cc(OC(=O)N(C)C)cc(O)c2c1=O
MCULE-2459463798 0.66 C1(C/C=C\CC)C(=O)CCC=1C
MolPort-035-705-997 0.66 CC1(C)CCc2c(O1)cc1occ(-c3ccc(O)cc3)c(=O)c1c2O
MCULE-9482226349 0.66 C12=CC[C@]3([C@@](C)(CC[C@@]4([H])C([C@@H](O)[C@H](O)C[C@]34C)(C)C)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@@](C)(O)[C@@]21[H])C(O)=O)[H]
MolPort-002-677-393 0.66 COc1ccc(cc1)-c1coc2c(C)c(OCCN3CCN(CCO)CC3)ccc2c1=O
MCULE-3986896794 0.66 CC1([C@@H](O)[C@H](O)C[C@@]2(C)[C@H]1CC[C@]1([C@@]3(C)C([C@@H]4[C@@](O)(C)[C@H](C)CC[C@]4(C(=O)O)CC3)=CC[C@@H]12)C)C
MolPort-039-338-848 0.66 CC1(C)CCc2cc(ccc2O1)-c1coc2cc(O)ccc2c1=O
MCULE-8942317491 0.66 [C@@H]1(O)C[C@@]2([C@@]3([H])CC=C4[C@@]5([H])[C@](CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C([C@H]1O)(C)C)(C(=O)O)CCC(C)(C)[C@H]5O)C
MolPort-004-930-939 0.66 Clc1ccc(COc2ccc3c(c2)occ(-c2ccc(Br)cc2)c3=O)cc1
MCULE-8439103614 0.66 OC1C(C2(C(O)=O)CC=CC2)CCCC1
MolPort-000-425-141 0.66 CCOC(=O)C(C)Oc1ccc2c(c1)occ(-c1ccc(Br)cc1)c2=O
MCULE-4871834352 0.66 OC(C1(CC=CC1)CC1(CCCC1)O)=O
MolPort-035-705-994 0.66 CC(C)(O)c1cc2c(O)c3c(cc2o1)occ(-c1ccc(O)cc1)c3=O
MCULE-7490068037 0.66 C1(=C)C2CCCC1CC(C(O)=O)C2
MolPort-000-218-721 0.66 Clc1ccc(cc1)-c1coc2cc(OCc3ccc(Br)cc3)ccc2c1=O
MCULE-1585586063 0.66 C12C(CCC(=O)C=1)CC(C(O)=O)C2
MolPort-004-930-924 0.66 COc1ccc(cc1)-c1c(C)oc2cc(OCc3cc(C)ccc3C)ccc2c1=O
MCULE-3259621922 0.66 C(O)(CC1CCCC(=C)C1)=O
MolPort-000-851-637 0.66 COc1ccc(cc1)-c1coc2c(C)c(OCCN3CCN(C)CC3)ccc2c1=O
MCULE-1952094862 0.66 O=C1CCC(C)=C1C/C=C/CC
MolPort-002-521-952 0.66 COc1ccc(cc1OC)-c1coc2cc(OC(=O)N(C)C)ccc2c1=O
MCULE-8374913301 0.66 CC1(C(C2(C(O)=O)CC=CC2)CCC1)O
MolPort-000-218-588 0.66 Fc1ccc(COc2ccc3c(c2)occ(-c2ccc(Br)cc2)c3=O)cc1
MCULE-8179123738 0.66 [C@@H]1(C(=O)O)[C@]2([H])C=C[C@@]([H])(C2)[C@H]1C(=O)O
MolPort-000-425-056 0.66 Brc1ccc(cc1)-c1coc2cc(OC(=O)c3ccccc3)ccc2c1=O
MCULE-8057091309 0.66 [C@@]1(C)(C(O)=O)[C@@H](C(O)=O)C2C=CC1C2
MolPort-000-856-405 0.66 CCN1CCN(CCOc2ccc3c(occ(-c4ccc(OC)cc4)c3=O)c2C)CC1
MCULE-4786407254 0.66 C1CC2=C(C3(CCC(O)C(C(=O)O)C31)C)C(CC1(C(CCC21)C(O)C)C)O
MolPort-003-080-122 0.66 COC(=O)COc1ccc2cc(-c3ccc(OC)cc3)c(=O)oc2c1
MCULE-3751237146 0.66 C[C@H]1[C@](O)(C)[C@@H]2[C@@](C(=O)O)(CC[C@]3([C@@]4(C)[C@@H]([C@@]5([C@@H](CC4)[C@@](CO)(C)[C@@H](O)CC5)C)CC=C32)C)CC1
MolPort-002-669-673 0.66 CC1CN(CCOc2ccc3c(c2)occ(-c2ccccc2)c3=O)CC(C)O1
MCULE-7184104452 0.66 C12CCC(C=C1)C(C(O)=O)=C2C(O)=O
MolPort-002-526-878 0.66 Oc1ccc2c(cc(=O)oc2c1)-c1cc2cc(Br)ccc2oc1=O
MCULE-3174021569 0.66 OC(=O)[C@]1([C@]2(CC[C@]34C[C@H](C(=C)C3)CC[C@@]4([H])[C@]2(C)CCC1)[H])C
MolPort-003-080-075 0.66 CCOc1ccc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc2c1
MCULE-5689703166 0.66 C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@](O)(C)[C@H](C)CC[C@]5(C(O)=O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(CO)[C@@H]1O
MolPort-000-450-834 0.66 Clc1ccc(COc2ccc(cc2)-c2coc3cc(OCc4ccc(Cl)cc4Cl)cc(OCc4ccc(Cl)cc4Cl)c3c2=O)c(Cl)c1
MCULE-4207394958 0.66 C1(C(C)=CC2C(C1(C)C(CCO)=O)C(C(=O)O)CC(C)(O)C2)/C(=C/CO)/C
MolPort-020-005-753 0.66 COc1cc(cc(OC)c1OC)-c1coc2cc3OCOc3c(OC)c2c1=O
MCULE-2460476091 0.66 C1C[C@@]([H])(/C(/C)=C/C(=O)CC(C)C)CC=C1C(=O)O
MolPort-006-657-149 0.66 Cc1ccc2c(c1)occ(-c1cccc(Cl)c1)c2=O
MCULE-3300513366 0.66 C1(=C)[C@@H]2C[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(O)=O)[C@@H]3CC2)C1
MolPort-003-757-648 0.66 OC(=O)COc1ccc(cc1)-c1cc2ccccc2oc1=O
MCULE-7899364914 0.66 [C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C=O)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)CO
MolPort-003-080-063 0.66 CCOc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1