SANC00193 Millecrol B



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Analog ID Similarity score SMILES

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Mcule | MolPort | All | None
MolPort-009-194-534 1 OCC1CCC(=C)CC1
MolPort-003-927-230 1 CC(C)(O)[C@@H]1CC[C@@]2(C)CCCC(=C)[C@@H]2C1
MCULE-7379269815 1 CC1(C(CCC=C)CCCC1)O
MCULE-7927989762 1 C1(=C)C2CCCC1CC(CO)C2
MCULE-2562807594 1 C[C@@]1([C@H](CCC=C)CCCC1)O
MCULE-5964566264 1 CC(CC[C@H]1[C@@](O)(C)CCCC1)=C
MCULE-7834366617 1 CC(CCC1C(O)(C)CCCC1)=C
MolPort-046-195-008 0.95 CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12
MolPort-002-507-239 0.95 CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]12
MolPort-029-887-077 0.95 C[C@@]1(O)CCC[C@]2(C)CC[C@H](C[C@@H]12)C(=C)CO
MolPort-046-158-412 0.95 CC(C)(O)[C@@H]1CC[C@@]2(C)[C@H](O)CCC(=C)[C@@H]2C1
MolPort-007-980-812 0.95 CC(=C)C1CCC2(CO)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12
MolPort-046-153-158 0.95 CC(=C)C1CCC2(C)C(O)CCC(C)(O)C2C1
MolPort-002-528-437 0.95 CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C12
MolPort-002-524-880 0.95 CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]34C)C12
MolPort-001-742-486 0.95 CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-039-338-212 0.95 C[C@](O)(CC[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C)C=C
MolPort-002-512-344 0.95 CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12
MolPort-001-740-488 0.95 CC(C)(O)[C@@H]1CC[C@@]2(C)C[C@@H](O)CC(=C)C2C1
MolPort-000-714-517 0.95 CC(=C)C1CCC2(CO)CC[C@]3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12
MolPort-000-703-193 0.95 CC1(C)CCC[C@]2(C)C(CCC(=C)C=C)C(C)(O)CCC12
MolPort-002-524-392 0.95 CC1(C)CCC[C@]2(C)[C@@H](CCC(=C)C=C)[C@](C)(O)CC[C@@H]12
MolPort-044-723-367 0.95 CC(C)(O)[C@@H]1CC[C@@]2(C)CC[C@@H](O)C(=C)[C@@H]2C1
MolPort-001-742-392 0.95 CC(O)(CO)C1CC[C@@]2(C)CCCC(=C)[C@@H]2C1
MolPort-000-124-379 0.95 CC(O)(CCC1C(=C)CCC2C(C)(CO)CCCC12C)C=C
MolPort-035-801-460 0.95 CC(=C)C1CC(CO)C2CCC3C(CCC4C3CCC3C4CCC(O)C3(C)C)C12
MolPort-006-111-540 0.95 CC1(C)[C@@H](O)CC[C@]2(C)[C@@H](CC[C@H]3C(=C)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)C(=C)CC[C@@H]12
MolPort-027-853-629 0.95 CC(CCO)CCC1C(=C)CCC2C(C)(C)C(O)CCC12C
MolPort-027-835-585 0.95 C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CCC1=C
MCULE-8905536335 0.95 [C@]12([H])C(CCC[C@]1(C)CCC(C(C)(CO)O)C2)=C
MCULE-2040575765 0.95 CC1([C@@]2([H])[C@]([C@@]3([C@](CC2)(C)[C@]2([C@]([C@@]4([C@](CC2)(CO)CC[C@H]4C(=C)C)[H])([H])CC3)C)[H])(C)CC[C@@H]1O)C
MCULE-1652497439 0.95 C1C[C@]2(C)CC[C@@H](C(O)(C)C)C[C@@]2([H])C(=C)[C@@H]1O
MCULE-2611554707 0.95 C12(C)CCCC(C)(CO)C1CCC(=C)C2CCC(C)(O)C=C
MCULE-5403675724 0.95 [H]C12CC(O)CCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1C(=C)C2
MCULE-1977304897 0.95 C12C(CCC3C4C(C5CCC(C(C)(C)C5CC4)O)CCC13)C(CC2C(C)=C)CO
MCULE-2732428803 0.95 [C@@]12(C)CCC3(C(C(CC3)C(C)=C)C1CCC1[C@@]2(C)CCC2C1(C)CCC(O)C2(C)C)CO
MCULE-5204543094 0.95 C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@H](C(C)=C)CC[C@]5(CO)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-8708469018 0.95 [C@]12(C)CCCC(C)(C)C1CCC(C)(O)C2CCC(=C)C=C
MCULE-2789395858 0.95 C1C[C@]2(C)CC[C@@H](C(=C)CO)C[C@@]2([H])[C@@](O)(C)C1
MCULE-2479027298 0.95 C12(C)CCC3(C([H])(C(CC3)C(C)=C)C1([H])CCC1([H])C2(C)CCC2(C1(C)CCC(O)C2(C)C)[H])CO
MCULE-4277793393 0.95 C1C[C@]2(C)[C@@H](CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CCC3=C)C(=C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-7124383227 0.91 C1[C@](O)(C)[C@@H](O)C[C@H](C(C)=C)C1
MCULE-1618072645 0.91 C12(C)CCCC(C)(C)C1CCC(C)(O)C2CC(C)(O)C=C
MCULE-8721262408 0.91 C12(C)CCCC(C)(C)C1C(CC(=C)C2CCC(C)(O)C=C)O
MCULE-4612736693 0.91 C1C[C@@]2([H])C(=C)CC[C@@H](C(C)C)[C@]2([H])[C@H](O)[C@@]1(C)O
MCULE-2538841501 0.91 C12(C(C)O)CCC(C(=C)C1(C)C)C2
MCULE-9054991327 0.91 C1(=C)C2CCC1CC(CO)C2
MolPort-046-153-724 0.91 CC(C)[C@@H]1CCC(=C)[C@@H]2CC[C@](C)(O)[C@@H](O)[C@@H]12
MolPort-001-981-673 0.91 CC(O)(CC1C(C)(O)CCC2C(C)(C)CCCC12C)C=C
MolPort-005-911-223 0.91 CC(O)(CC1[C@@](C)(O)CCC2C(C)(C)CCC[C@]12C)C=C
MolPort-039-342-455 0.91 CC(O)(CCC1C(=C)CC(O)C2C(C)(C)CCCC12C)C=C
MolPort-039-052-499 0.91 CC(=C)[C@@H]1CC[C@@](C)(O)[C@@H](O)C1
MolPort-046-158-389 0.91 CC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-044-624-388 0.90 OCC1(CC=C)CCCCC1
MolPort-001-782-935 0.90 OC1CCCCC1CC=C
MolPort-002-911-163 0.90 CC(O)C1CCC2C3CC[C@@]4(C)CCC(=C)CC4(C)C3CCC12C
MolPort-038-387-157 0.90 O[C@@H]1CCCC[C@H]1CC=C
MolPort-039-338-367 0.90 C[C@@]1(CC[C@@H]2[C@@]3(C)CCC[C@@](C)(CO)[C@@H]3CC[C@@]2(O)C1)C=C
MolPort-003-936-684 0.90 OC1(CCCCC1)C=C
MolPort-002-525-934 0.90 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C12
MolPort-002-512-911 0.90 CC(CCC(O)C(C)(C)O)C=C
MolPort-001-742-380 0.90 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-000-738-377 0.90 CC(=C)C1CCC2(C)CC[C@]3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12
MolPort-007-980-882 0.90 CC(=C)[C@@H]1CCC2(C)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12
MolPort-002-911-160 0.90 C[C@]1(O)CCC2C3CC[C@H]4CCC(=C)CC4(C)C3CCC12C
MolPort-046-008-744 0.90 OC1CCCCC1C=C
MolPort-002-510-257 0.90 CC1CCC(C(O)C1)C(C)=C
MolPort-006-111-741 0.90 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-003-895-936 0.90 C[C@@H]1CC[C@H]([C@H](O)C1)C(C)=C
MolPort-003-932-880 0.90 C[C@H]1CC[C@@H]([C@@H](O)C1)C(C)=C
MolPort-028-951-588 0.90 CC(O)(CC=C)C1CCCCC1
MolPort-001-742-379 0.90 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C12
MCULE-2632884278 0.90 CC1(C(CC=C)CCCC1)O
MCULE-1457963521 0.90 C12CC[C@@]3([H])CCC(=C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C
MCULE-4556255500 0.90 CCC(C[C@H]1[C@@](O)(C)CCCC1)=C
MCULE-2035256108 0.90 C1C[C@]2(C)[C@@]3([H])CC[C@@](C=C)(C)C[C@]3(O)CC[C@@]2([H])[C@](C)(CO)C1
MCULE-8763812176 0.90 [C@]12([H])[C@H](C(C)=C)CC[C@]1(C)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C
MCULE-5310074418 0.90 CC1([C@@]2([H])[C@]([C@@]3([C@](CC2)(C)[C@]2([C@]([C@@]4([C@](CC2)(C)CC[C@H]4C(=C)C)[H])([H])CC3)C)[H])(C)CC[C@@H]1O)C
MCULE-2551726771 0.90 C12CC[C@@]3(C)CCC(=C)CC3(C)C1CCC1(C)C(CCC21)C(O)C
MCULE-2678449677 0.90 C1(O)(CC=C)CCCCC1
MCULE-5148579161 0.90 CC(C[C@H]1[C@@](O)(C)CCCC1)=C
MCULE-2306445220 0.90 C1(O)(C=C)C(C)CCC(C(C)C)C1
MCULE-2322169644 0.90 CC(CC1C(O)(C)CCCC1)=C
MCULE-5014251892 0.90 CC(C=C)(CC1CCCCC1)O
MCULE-6234017937 0.90 CC(C(CC1CCCCC1)(O)C)=C
MCULE-2425830614 0.90 C1(C)(O)C(C)CCC(C(C)=C)C1
MCULE-1023726917 0.90 C[C@@]1([C@H](CC=C)CCCC1)O
MCULE-5841352334 0.90 C1(CCO)C(=C)CCCC1C
MCULE-6951581773 0.90 CCC(CC1C(O)(C)CCCC1)=C
MCULE-7120659957 0.90 C1CC2(C)C(CCC(O)(C=C)C)CCCC2C(C)(C)C1
MCULE-1672318153 0.90 C(C)(C)(O)C(O)CCC(C)C=C
MCULE-6674525093 0.90 [C@@]12(C)CCC3(C(C(CC3)C(C)=C)C1CCC1[C@@]2(C)CCC2C1(C)CCC(O)C2(C)C)C
MCULE-5222419035 0.90 C(CCCC(CCCC=C)O)=C
MolPort-001-792-059 0.90 CC(CCCC(C)(C)O)C=C
MolPort-001-769-701 0.90 OCCCCCCCCC=C
MolPort-028-750-958 0.90 OCCCCCCCC=C
MolPort-042-681-652 0.90 C[C@@H](O)CCCCCCC=C
MolPort-021-072-420 0.90 CC(O)C(C)CCCC=C
MolPort-001-760-000 0.90 OCCCCCCCCCC=C
MolPort-035-943-082 0.90 OC(CCCC=C)CCCC=C
MolPort-006-120-143 0.90 OCCCCCCC=C
MolPort-021-498-650 0.90 CC(O)CC(C)CCC=C
MCULE-4082238737 0.87 C1(O)C2(C)C3(C)C(C1C(=C)CC2)(C)CCC3
MCULE-1847652658 0.87 C1C[C@@]2([H])[C@](C)(O)CC[C@@H](C(C)C)[C@]2(O)CC1=C
MolPort-039-052-485 0.87 CC(C)(O)C(O)CCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-035-706-210 0.87 CC(C)[C@@H]1CC[C@@](C)(O)[C@@H]2CCC(=C)C[C@@]12O
MolPort-002-729-398 0.86 CC1(C)C2CCC1(C)C(O)(CC=C)C2
MolPort-000-846-064 0.86 CC(O)(CCC1C(C)(O)CCC2C(C)(C)CCCC12C)C=C
MolPort-029-938-328 0.86 CC(O)(CC1CC2CCC1C2)C=C
MolPort-039-142-052 0.86 C[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=C)CO
MolPort-002-527-229 0.86 C[C@](O)(CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C)C=C
MolPort-002-528-182 0.86 C[C@](O)(CCC1[C@](C)(O)CCC2C(C)(C)CCC[C@]12C)C=C
MolPort-003-715-331 0.86 C[C@@](O)(CC[C@H]1[C@](C)(O)CCC2C(C)(C)CCC[C@]12C)C=C
MolPort-029-939-358 0.86 OC(CC1CC2CCC1C2)C=C
MolPort-001-741-746 0.86 C[C@@]1(CO)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(CC4=C)CC[C@H]12
MolPort-005-909-866 0.86 CC(O)(CC[C@H]1[C@@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C)C=C
MolPort-039-052-694 0.86 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-044-723-381 0.86 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-002-506-886 0.86 CC(O)(CC[C@H]1[C@](C)(O)CCC2C(C)(C)CCC[C@]12C)C=C
MolPort-002-525-311 0.86 CC1(C)[C@H]2C[C@@H]1C(=C)[C@H](O)C2
MolPort-039-052-492 0.86 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-033-355-978 0.86 CC1(C)[C@@H]2C[C@H]1C(=C)[C@@H](O)C2
MolPort-009-765-555 0.86 C[C@@](O)(CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C)C=C
MCULE-8544282007 0.86 C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@H](C(=C)C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@@H]1O
MCULE-3387090376 0.86 OC1(C=C)C2(CCCCC2)CC1
MCULE-1535767582 0.86 OC1(C2(CCCCC2)CC1)CC=C
MCULE-8631625295 0.86 OC(C1CCC2(CC2)CC1)C=C
MCULE-1732269970 0.86 C1(=C)C(CO)CC2CC1C2(C)C
MCULE-5061929584 0.86 CC(C(C1CCC2(CC2)CC1)O)=C
MCULE-1936843086 0.86 OC1(C=C)CCC2(CC2)CC1
MCULE-9063642375 0.86 [C@]12(C)CCCC(C)(C)[C@]1([H])CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O)C=C
MCULE-8428573714 0.86 OC1(CCC2(CC2)CC1)CCC=C
MCULE-7805667631 0.86 C(C)(=C)C1CCC2(C)CCC3(C)C(C21)CCC1C3(C)CCC2CC(O)(C(O)(C)C)CCC21C
MCULE-1430857505 0.86 C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@H](C(=C)C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O
MCULE-9104151244 0.86 CC(C1(C2(CCCCC2)CC1)O)=C
MCULE-4545573353 0.86 OC1(C2(CCCCC2)CC1)CCC=C
MCULE-4774982120 0.86 C12(C)CCCC(C)(C)C1CCC(C)(O)C2CCC(C)(O)C=C
MCULE-3410638328 0.86 OC1(C=C)C(C2CC2)CCCC1
MCULE-2796363664 0.86 C12(C)CCC(CC1(CC=C)O)C2(C)C
MCULE-1171485409 0.86 CC1([C@@H]2CC[C@]([C@H](CC[C@](C=C)(O)C)[C@@]2(C)CCC1)(O)C)C
MCULE-9779509739 0.86 [H]C12CC(O)CCC1(C)C1CCC3(C)C(C=C)(O)CCC3C1CC2
MCULE-8301181052 0.86 CC(C1(CCC2(CC2)CC1)O)=C
MCULE-3903764638 0.86 C(C(CCC(O)C(=C)C)O)(C)=C
MCULE-3324498456 0.86 OC1(CCC2(CC2)CC1)CC=C
MCULE-3157102298 0.86 OC1(C(C2CC2)CCCC1)CC=C
MCULE-2255820378 0.86 OC(C1CCC2(CC2)CC1)CC=C
MCULE-4495844697 0.86 CC(C1(C(C2CC2)CCCC1)O)=C
MCULE-8661901899 0.86 [C@H]12C[C@H](C1(C)C)C[C@@H](O)C2=C
MCULE-7043672096 0.86 CCCCCC(O)CC1CC1=C
MCULE-6336857737 0.86 C(CO)(CCCCCCCCCC=C)CO
MCULE-5580405947 0.86 C1CCCCCC(C=C)(O)CCCCC1
MCULE-7830059101 0.86 C1CCC(O)C(=C)CCC1
MCULE-7332708916 0.86 C=C(CCCCCC(CO)=C)CO
MCULE-8025095993 0.86 C1CC(C=C)(O)CCCCC1
MCULE-8561818472 0.86 C(=C)C(C)(CCCC(C)CCCC(C)CCCC(C)C)O
MCULE-4108462587 0.86 C(=C)C(C)(CCCC(C)CCCC(C)C)O
MCULE-7479649773 0.86 C=C(CCCCCC(CO)=C)C
MolPort-000-740-930 0.86 CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C=C
MolPort-001-782-881 0.86 CCCCCC(O)C=C
MolPort-001-792-183 0.86 OCC(O)CCCCC=C
MolPort-001-792-282 0.86 CCCCCC(O)CC=C
MolPort-002-509-736 0.86 CC(C)CCCC(C)CCCC(C)(O)C=C
MolPort-006-135-500 0.86 CCC(=C)CCC(C)(O)CC
MolPort-006-122-641 0.86 CC(C)CCCC(C)(O)C=C
MolPort-046-672-339 0.86 OC1CCCCC1=C
MolPort-020-915-860 0.85 CC(O)CCCC=C
MolPort-001-837-124 0.85 OCCCCCC=C
MCULE-8814843421 0.83 OC1(C=C)CC2CC(CC2)C1
MCULE-6380276570 0.83 OC1(CC2CC(CC2)C1)CC=C
MCULE-7729149940 0.83 OC(C1C2C(C2)CCC1)CC=C
MCULE-1546851504 0.83 C1[C@@H](O)[C@]2(C)CC[C@]([H])(CC(C)=C)[C@@]2([H])C(=C)C1
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