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181 SMILES Strings for Lipoxygenase-1

Compound NameSMILES String
BDBM4375 OC(=O)\C=C\c1ccc(O)c(O)c1
BDBM7459 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM7458 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
BDBM7461 Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
BDBM152750 Cc1nc(nc(Sc2nnc3Sc4nc(nc(C)c4Nn23)N2CCCCC2)c1C)N1CCCCC1
BDBM152742 Cc1nc(nc(Sc2nnc(Sc3nc(nc(C)c3Br)N3CCOCC3)n2N)c1Br)N1CCOCC1
BDBM152743 Cc1nc(nc(Sc2nnc(Sc3nc(nc(C)c3Br)N3CCCCC3)n2N)c1Br)N1CCCCC1
BDBM152744 CC1CCN(CC1)c1nc(C)c(Br)c(Sc2nnc(Sc3nc(nc(C)c3Br)N3CCC(C)CC3)n2N)n1
BDBM152751 CC1CCN(CC1)c1nc(C)c(C)c(Sc2nnc3Sc4nc(nc(C)c4Nn23)N2CCC(C)CC2)n1
BDBM152752 CN1CCN(CC1)c1nc(C)c(C)c(Sc2nnc3Sc4nc(nc(C)c4Nn23)N2CCN(C)CC2)n1
BDBM152745 CN1CCN(CC1)c1nc(C)c(Br)c(Sc2nnc(Sc3nc(nc(C)c3Br)N3CCN(C)CC3)n2N)n1
BDBM152753 Cc1nc(nc(Sc2nnc3Sc4nc(nc(C)c4Nn23)N2CCN(CC2)c2ccccc2)c1C)N1CCN(CC1)c1ccccc1
BDBM152746 Cc1nc(nc(Sc2nnc(Sc3nc(nc(C)c3Br)N3CCN(CC3)c3ccccc3)n2N)c1Br)N1CCN(CC1)c1ccccc1
BDBM152747 CCN1CCN(CC1)c1nc(C)c(Br)c(Sc2nnc(Sc3nc(nc(C)c3Br)N3CCN(CC)CC3)n2N)n1
BDBM152748 Cc1nc(nc(Sc2nnc(Sc3nc(nc(C)c3Br)N3CCCC3)n2N)c1Br)N1CCCC1
BDBM152749 Cc1nc(nc(Sc2nnc3Sc4nc(nc(C)c4Nn23)N2CCOCC2)c1C)N1CCOCC1
BDBM152754 CCN1CCN(CC1)c1nc(C)c(C)c(Sc2nnc3Sc4nc(nc(C)c4Nn23)N2CCN(CC)CC2)n1
BDBM152755 Cc1nc(nc(Sc2nnc3Sc4nc(nc(C)c4Nn23)N2CCCC2)c1C)N1CCCC1
BDBM9461 COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
BDBM22231 CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
BDBM22335 Oc1ccc(C=C2SC(Nc3nccs3)=NC2=O)cc1 |w:5.4,c:15|
BDBM22341 Clc1ccc(C=C2SC(Nc3nccs3)=NC2=O)cc1 |w:5.4,c:15|
BDBM22342 Clc1cccc(C=C2SC(Nc3nccs3)=NC2=O)c1 |w:6.5,c:16|
BDBM22343 Clc1ccccc1C=C1SC(Nc2nccs2)=NC1=O |w:7.7,c:18|
BDBM22344 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccccc1
BDBM22366 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccno1
BDBM22367 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)[N+]([O-])=O
BDBM22368 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc(c1)[N+]([O-])=O
BDBM22370 CSc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
BDBM22371 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)S(C)(=O)=O
BDBM22372 C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
BDBM22337 COc1cc(C=C2SC(Nc3nccs3)=NC2=O)ccc1O |w:5.4,c:15|
BDBM22338 COc1ccc(C=C2SC(Nc3nccs3)=NC2=O)cc1 |w:6.5,c:16|
BDBM22339 [O-][N+](=O)c1ccc(C=C2SC(Nc3nccs3)=NC2=O)cc1 |w:7.6,c:17|
BDBM22340 [O-][N+](=O)c1cccc(C=C2SC(Nc3nccs3)=NC2=O)c1 |w:8.7,c:18|
BDBM22345 Cc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
BDBM22346 CCCc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
BDBM22347 CCCCc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
BDBM22348 CC(C)c1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
BDBM22349 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)C(F)(F)F
BDBM22350 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(cc1)C#N
BDBM22351 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(F)cc1
BDBM22352 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(F)c(F)c1
BDBM22353 COc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
BDBM22354 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccc(O)cc1
BDBM22355 COc1cccc(c1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
BDBM22356 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc(O)c1
BDBM22357 COc1ccc(cc1OC)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
BDBM22358 COc1cc(cc(OC)c1OC)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
BDBM22359 COC(=O)c1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
BDBM22361 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1ccoc1
BDBM22362 CS(=O)(=O)c1ccc(cc1)C#CC(=O)c1cccc2ccccc12
BDBM22363 COc1ccc(C(=O)C#Cc2ccc(cc2)S(C)(=O)=O)c2ccccc12
BDBM22364 COc1cc(ccc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
BDBM22365 COc1ccc(cc1O)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O
BDBM24513 Oc1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1
BDBM24515 COc1cc(\C=C2\S\C(NC2=O)=N\c2nccs2)ccc1O
BDBM24517 [O-][N+](=O)c1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1
BDBM24518 [O-][N+](=O)c1cccc(\C=C2\S\C(NC2=O)=N\c2nccs2)c1
BDBM24519 Clc1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1
BDBM24520 Clc1cccc(\C=C2\S\C(NC2=O)=N\c2nccs2)c1
BDBM24521 Clc1ccccc1\C=C1\S\C(NC1=O)=N\c1nccs1
BDBM50009001 Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
BDBM50016986 CCCc1cc(Cl)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O
BDBM50065995 COc1ccc(C[C@@H](C)[C@@H](C)Cc2ccc(O)c(O)c2)cc1OC
BDBM50065996 COc1cc(C[C@@H](C)[C@@H](C)Cc2ccc(O)c(O)c2)ccc1O
BDBM50114093 C[C@@H](Cc1cc(O)c(O)cc1Cl)[C@H](C)Cc1cc(O)c(O)cc1Cl
BDBM50114094 C[C@@H](Cc1cc(O)c(O)cc1Br)[C@H](C)Cc1cc(O)c(O)cc1Br
BDBM50114096 CCc1cc(O)c(O)cc1C[C@H](C)[C@H](C)Cc1cc(O)c(O)cc1CC
BDBM50114097 C[C@@H](Cc1ccc2OC(C)(C)Oc2c1)[C@H](C)Cc1ccc(O)c(O)c1
BDBM50150484 CCCCCCCC\C=C/CCCCCCCC(O)=O
BDBM50157555 Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1
BDBM50174552 Oc1ccc2ccc(=O)oc2c1CNCCc1ccccc1
BDBM50174554 Oc1ccc2ccc(=O)oc2c1CNCc1ccccc1
BDBM50174553 Oc1ccc2ccc(=O)oc2c1CN1CCNCC1
BDBM50174555 CCNCc1c(O)ccc2ccc(=O)oc12
BDBM50174556 CCCCCNCc1c(O)ccc2ccc(=O)oc12
BDBM50174557 CN1COc2ccc3ccc(=O)oc3c2C1
BDBM50174558 Oc1ccc2ccc(=O)oc2c1
BDBM50174559 Oc1ccc2ccc(=O)oc2c1CN1CCCCC1
BDBM50174560 CC(C)CNCc1c(O)ccc2ccc(=O)oc12
BDBM50174561 CCCCCN(CCCCC)Cc1c(O)ccc2ccc(=O)oc12
BDBM50199514 COc1cc(C)ccc1OC(=O)C1CCCN1C(=O)C(C)c1ccc(CC(C)C)cc1
BDBM50217081 OC(=O)\C=C/c1c(O)ccc2ccccc12
BDBM50217082 OC(=O)\C=C/c1ccc[nH]1
BDBM50217083 OC(=O)C(=C/c1ccc[nH]1)\c1ccccc1
BDBM50217084 CC(C)(C)c1cc(\C=C(/C(O)=O)c2ccccc2)c(O)c(c1)C(C)(C)C
BDBM50217085 CC(C)(C)c1cc(\C=C/C(O)=O)c(O)c(c1)C(C)(C)C
BDBM50225142 COc1cc(\C=C\C(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])cc(OC)c1OC
BDBM50225144 COc1cc(cc(OC)c1OC)C1C[C-](N=[NH+]1)c1c(C)[n+]([O-])c2ccc(F)cc2[n+]1[O-] |c:16|
BDBM50225145 Cc1c(C(=O)\C=C\c2ccc3OCOc3c2)[n+]([O-])c2ccccc2[n+]1[O-]
BDBM50225146 COc1cc(\C=C\C(=O)c2c(C)[n+]([O-])c3ccc(F)cc3[n+]2[O-])ccc1O
BDBM50240436 CCCCCCCCCCCCCCCc1cccc(O)c1C(O)=O
BDBM50242263 CCCCCC\C=C/CCCCCCCc1cccc(O)c1
BDBM50241751 CCCCCC\C=C/CCCCCCCc1cc(O)cc(O)c1
BDBM50242188 CCCCCC\C=C/CCCCCCCc1cccc(O)c1C(O)=O
BDBM50247676 C[C@H]1CCCC(=O)CCC\C=C\c2cc(O)cc(O)c2C(=O)O1 |r,t:10|
BDBM50280207 CCCCCC1OC1CCCCCCCCCCC(O)=O
BDBM50280208 CCCCCC1OC1C\C=C\CCCCCCCC(O)=O
BDBM50280209 CCCCCCCCC1SC1CCCCCCCC(O)=O
BDBM50280210 CCCCC\C=C\CC1OC1CCCCCCCC(O)=O
BDBM50280211 CCCCCC1SC1CCCCCCCCCCC(O)=O
BDBM50280212 CCCCC\C=C\CC1SC1CCCCCCCC(O)=O
BDBM50280213 CCCCCC1SC1C\C=C\CCCCCCCC(O)=O
BDBM50280214 CCCCCCCCC1OC1CCCCCCCC(O)=O
BDBM50292424 CCCC\C=C/CCCCCCCCCc1cccc(O)c1C(O)=O
BDBM50292425 Oc1cc(O)cc(CCCCCCC\C=C/C\C=C/CC=C)c1
BDBM50292426 Oc1cccc(CCCCCCC\C=C/C\C=C/CC=C)c1
BDBM50292427 CCC\C=C/C\C=C/CCCCCCCc1cccc(O)c1
BDBM50292428 CCC\C=C/C\C=C/CCCCCCCc1cc(O)cc(O)c1
BDBM50292429 OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C
BDBM50304296 CCCCCCCC\C=C/CCCCCCCCOS(O)(=O)=O
BDBM50304295 CCCCCCCC\C=C/CCCCCCOS(O)(=O)=O
BDBM50312650 Oc1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1
BDBM50359882 [O-][N+](=O)c1ccccc1\C=C1/S\C(NC1=O)=N\c1nc2ccccc2s1
BDBM50359883 [O-][N+](=O)c1cccc(\C=C2/S\C(NC2=O)=N\c2nc3ccccc3s2)c1
BDBM50359884 [O-][N+](=O)c1ccc(\C=C2/S\C(NC2=O)=N\c2nc3ccccc3s2)cc1
BDBM50359885 Clc1ccccc1\C=C1/S\C(NC1=O)=N\c1nc2ccccc2s1
BDBM50359886 Clc1cccc(\C=C2/S\C(NC2=O)=N\c2nc3ccccc3s2)c1
BDBM50359887 Clc1ccc(\C=C2/S\C(NC2=O)=N\c2nc3ccccc3s2)cc1
BDBM50359888 Oc1cccc(\C=C2/S\C(NC2=O)=N/c2nc3ccccc3s2)c1
BDBM50359889 Oc1ccc(\C=C2/S\C(NC2=O)=N\c2nc3ccccc3s2)cc1
BDBM50359890 COc1cc(\C=C2/S\C(NC2=O)=N\c2nc3ccccc3s2)ccc1O
BDBM50359891 COc1cc(\C=C2/S\C(NC2=O)=N/c2nc3ccccc3s2)cc(OC)c1O
BDBM50359892 COc1ccc(\C=C2/S\C(NC2=O)=N\c2nc3ccccc3s2)cc1
BDBM50359893 O=C1N\C(S\C1=C/c1ccccc1)=N/c1nc2ccccc2s1
BDBM50359894 [O-][N+](=O)c1ccccc1\C=C1/S\C(NC1=O)=N/c1nsc2ccccc12
BDBM50359895 [O-][N+](=O)c1cccc(\C=C2/S\C(NC2=O)=N/c2nsc3ccccc23)c1
BDBM50359896 [O-][N+](=O)c1ccc(\C=C2/S\C(NC2=O)=N/c2nsc3ccccc23)cc1
BDBM50359897 Clc1ccccc1\C=C1/S\C(NC1=O)=N/c1nsc2ccccc12
BDBM50359898 Clc1cccc(\C=C2/S\C(NC2=O)=N/c2nsc3ccccc23)c1
BDBM50359899 Clc1ccc(\C=C2/S\C(NC2=O)=N/c2nsc3ccccc23)cc1
BDBM50359900 Oc1ccc(\C=C2/S\C(NC2=O)=N/c2nsc3ccccc23)cc1
BDBM50359901 COc1cc(\C=C2/S\C(NC2=O)=N/c2nsc3ccccc23)ccc1O
BDBM50359902 COc1cc(\C=C2/S\C(NC2=O)=N\c2nsc3ccccc23)cc(OC)c1O
BDBM50359904 COc1cc(\C=C2/S\C(NC2=O)=N/c2nccs2)cc(OC)c1O
BDBM50379791 COc1ccc(CC=C)cc1OC
BDBM50401191 OC(=O)c1c(O)cc(O)cc1CCc1ccc(Cc2nc3ccccc3o2)cc1
BDBM50401192 CCCCCCCCCCCCCCOc1cccc(O)c1C(O)=O
BDBM50401193 CCCCCCCc1ccc(CCc2cc(O)cc(O)c2C(O)=O)cc1
BDBM50410780 CCOC(=O)C(CS)NC(=O)C1CCCN1C(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
BDBM50410781 CCOC(=O)C(CS)NC(=O)C1CCCN1C(=O)C(C)c1ccc2cc(OC)ccc2c1
BDBM50410782 COc1ccc2cc(ccc2c1)C(C)C(=O)N1CCCC1C(=O)NCCS
BDBM50418083 C[C@@H](N(O)C(N)=O)c1cc2ccccc2s1 |r|
BDBM50445690 Oc1cccc(c1)-c1cc(=O)c2c(O)cc(O)cc2o1
BDBM50445691 Oc1ccc(cc1O)-c1cc(O)c2c(cccc2=O)o1
BDBM192758 COc1ccc(CC=C)c(OC)c1
BDBM32020 CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
BDBM192757 COc1cccc(CC=C)c1OC
BDBM192756 COc1cc(CC=C)cc(OC)c1
BDBM192760 COc1cccc(OC)c1CC=C
BDBM192761 COc1cc(OC)c(CC=C)c(OC)c1
BDBM192762 COc1cc(C)cc(OC)c1CC=C
BDBM192763 [#6]-[#8]-c1cc(-[#6])cc(-[#8]-[#6])c1-[#6]\[#6]=[#6](\[#6])-[#6]
BDBM192764 [#6]-[#8]-c1cc(-[#6])cc(-[#8]-[#6])c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
BDBM192765 [#6]-[#8]-c1cc(-[#6])cc(-[#8]-[#6])c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
BDBM192766 CN1CCN(CC1)c1nc(C)c2Nc3ccccc3Sc2n1
BDBM222277 COC(=O)c1c(C)oc(c1CC(=O)c1ccc(C)c(Cl)c1)-c1ccc(C)c(Cl)c1
BDBM222268 COC(=O)c1c(C)oc(c1CC(=O)c1ccccc1)-c1ccccc1
BDBM222270 COC(=O)c1c(C)oc(c1CC(=O)c1ccc(C)cc1)-c1ccc(C)cc1
BDBM222269 CCOC(=O)c1c(C)oc(c1CC(=O)c1ccccc1)-c1ccccc1
BDBM222271 CCOC(=O)c1c(C)oc(c1CC(=O)c1ccc(C)cc1)-c1ccc(C)cc1
BDBM222272 COC(=O)c1c(C)oc(c1CC(=O)c1ccc(Br)cc1)-c1ccc(Br)cc1
BDBM222273 CCOC(=O)c1c(C)oc(c1CC(=O)c1ccc(Br)cc1)-c1ccc(Br)cc1
BDBM222274 COC(=O)c1c(C)oc(c1CC(=O)c1ccc(Cl)cc1)-c1ccc(Cl)cc1
BDBM222275 CCOC(=O)c1c(C)oc(c1CC(=O)c1ccc(Cl)cc1)-c1ccc(Cl)cc1
BDBM222276 CCOC(=O)c1c(C)oc(c1CC(=O)c1ccc(C)c(Cl)c1)-c1ccc(C)c(Cl)c1
BDBM233017 COc1cc(ccc1O)-c1coc2cc(O)c(O)cc2c1=O
BDBM50135280 ON(C1CCCO1)c1cc(no1)C(=O)OC12CC3CC(CC(C3)C1)C2 |TLB:22:17:24:21.20.23,22:21:24:18.17.16,THB:16:17:20:24.15.23,16:15:18.17.22:20,14:15:18.17.22:20|
BDBM50135281 ON(C1CCCO1)c1cc(no1)C(=O)OC1C2CC3CC(C2)CC1C3 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(9.55,.61,;9.1,1.77,;10.08,2.98,;9.65,4.46,;10.95,5.31,;12.16,4.34,;11.61,2.88,;7.57,2.01,;6.47,.91,;5.11,1.62,;5.33,3.15,;6.86,3.39,;3.72,.92,;3.65,-.32,;2.42,1.77,;1.02,1.06,;-.29,1.71,;-1.05,.45,;-1.05,-1.34,;-2.27,-2.13,;-1.87,-.7,;-2.04,.73,;-.4,-.89,;1.12,-.36,;.37,-1.61,)|
BDBM50135282 ON(C1CCCO1)c1cc(no1)C(=O)OCCC12CC3CC(CC(C3)C1)C2 |TLB:24:19:26:23.22.25,24:23:26:20.19.18,THB:18:19:22:26.17.25,18:17:20.19.24:22,16:17:20.19.24:22|
BDBM50135283 CC(C)OC(=O)C12CC3CC(CC(C3)(C1)OC(=O)c1cc(on1)N(O)C1CCCO1)C2 |TLB:7:6:13.8.9:11,9:10:14:13.8.7,THB:7:8:11:14.6.30|
BDBM50135285 ON(C1CCCO1)c1cc(no1)C(=O)OCC12CC3CC(CC(C3)C1)C2 |TLB:23:18:25:22.21.24,23:22:25:19.18.17,THB:17:18:21:25.16.24,17:16:19.18.23:21,15:16:19.18.23:21|
BDBM234409 Cl[Au]P(c1ccccc1)(c1ccccc1)c1ccccc1
BDBM234410 C1CN=C(S[Au]P(c2ccccc2)(c2ccccc2)c2ccccc2)S1 |t:2|
BDBM234411 S([Au]P(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccccc2s1
BDBM234412 Clc1ccc2sc(S[Au]P(c3ccccc3)(c3ccccc3)c3ccccc3)nc2c1
BDBM50135284 CC12CC3CC(C)(C1)CC(C3)(C2)OC(=O)c1cc(on1)N(O)C1CCCO1 |TLB:12:9:7.1.2:4,0:1:4:8.9.10,THB:11:1:4:8.9.10,11:9:7.1.2:4,2:1:8:3.4.10,2:3:8:7.1.11,0:1:8:3.4.10|
BDBM235667 O=c1ccc2ccc3OCC=CCc3c2o1 |c:10|
BDBM235668 Cc1cc(=O)oc2c3CC=CCOc3ccc12 |c:9|