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63 SMILES Strings for Lipopolysaccharide-induced tumor necrosis factor-alpha factor

Compound NameSMILES String
BDBM86694 ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|
BDBM135812 CCn1c(=O)n(C2CCCC2)c2c3cccc(Cl)c3ncc2c1=O
BDBM135813 CCCc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(CC)c1=O
BDBM135814 CCn1c(=O)n(C2CCCC2)c2c3cccc(C(C)C)c3ncc2c1=O
BDBM135815 COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cc(C)cs2)c1=O
BDBM135816 COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cccc(C)c2)c1=O
BDBM135817 COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc3OCOc3c2)c1=O
BDBM135818 COc1cccc2c1ncc1c2n(C2CCN(CC2)S(C)(=O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O
BDBM135819 COc1cccc2c1ncc1c2n(C2CC[C@@H](CC2)C(O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O |r,wU:16.21,(-4.67,-5.78,;-3.33,-5,;-3.33,-3.47,;-4.67,-2.69,;-4.67,-1.15,;-3.33,-.38,;-2,-1.15,;-2,-2.69,;-.67,-3.47,;.67,-2.69,;.67,-1.15,;-.67,-.38,;-.67,1.15,;-2,1.93,;-2,3.47,;-3.33,4.23,;-4.67,3.47,;-4.67,1.93,;-3.33,1.15,;-6,4.23,;-7.34,3.47,;-6,5.78,;.67,1.93,;.67,3.47,;2,1.15,;3.33,1.93,;3.33,3.47,;4.67,4.23,;6,3.47,;6,1.93,;7.34,1.15,;4.67,1.15,;2,-.38,;3.33,-1.15,)|
BDBM135820 COc1cccc2c1ncc1c2n([C@@H]2CCN(C2)S(C)(=O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O |r|
BDBM135821 COc1cccc2c1ncc1c2n([C@H]2CCN(C2)S(C)(=O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O |r|
BDBM135824 COc1cccc2c1ncc1c2n(C2CC[C@@H](CC2)NS(C)(=O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O |r,wU:16.21,(-4,-5.01,;-2.67,-4.24,;-2.67,-2.7,;-4,-1.93,;-4,-.39,;-2.67,.38,;-1.33,-.39,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;1.33,-.39,;,.38,;,1.92,;-1.33,2.69,;-1.33,4.23,;-2.67,5.01,;-4,4.23,;-4,2.69,;-2.67,1.92,;-5.33,5,;-6.67,4.23,;-8,5,;-7.44,2.9,;-5.9,2.9,;1.33,2.69,;1.33,4.23,;2.67,1.92,;4,2.69,;4,4.23,;5.33,5,;6.67,4.23,;6.67,2.69,;8,1.92,;5.33,1.92,;2.67,.38,;4,-.39,)|
BDBM235368 COc1cccc2c1ncc1c2n(C2CCN(CC2)C(=O)NC(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O
BDBM235369 COc1cccc2c1ncc1c2n(C2CCC(C)CC2)c(=O)n(-c2ccccc2Cl)c1=O |(-4.67,-5,;-3.33,-4.23,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,2.69,;-2,4.23,;-3.33,5,;-4.67,4.23,;-6,5,;-4.67,2.69,;-3.33,1.93,;.67,2.69,;.67,4.23,;2,1.93,;3.33,2.69,;3.33,4.23,;4.67,5,;6,4.23,;6,2.69,;4.67,1.93,;4.67,.38,;2,.38,;3.33,-.38,)|
BDBM235370 COc1cccc2c1ncc1c2n(C2CCC(C)CC2)c(=O)n(-c2ccc(Cl)cc2)c1=O |(-5.33,-5,;-4,-4.23,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,2.69,;-2.67,4.23,;-4,5,;-5.33,4.23,;-6.67,5,;-5.33,2.69,;-4,1.93,;,2.69,;,4.23,;1.33,1.93,;2.67,2.69,;4,1.93,;5.33,2.69,;5.33,4.23,;6.67,5,;4,5,;2.67,4.23,;1.33,.38,;2.67,-.38,)|
BDBM235281 CCn1c(=O)n(-c2ccc(OC)c(OC)c2)c2c3cccc(OC)c3ncc2c1=O
BDBM235282 COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(C(C)C)c1=O
BDBM235374 COc1cccc2c1ncc1c2n(C2CCCCC2)c(=O)n(-c2cccc(Cl)c2)c1=O
BDBM235375 COc1cccc2c1ncc1c2n(C2CCN(CC2)C(=O)OC(C)(C)C)c(=O)n(-c2ccc3OCOc3c2)c1=O
BDBM235287 COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cccs2)c1=O
BDBM235376 COc1cccc2c1ncc1c2n(C2CCNCC2)c(=O)n(-c2ccc3OCOc3c2)c1=O
BDBM235377 COc1cccc2c1ncc1c2n(C2CCN(CC2)S(C)(=O)=O)c(=O)n(-c2ccc3OCOc3c2)c1=O
BDBM235378 COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cccc(c2)C#N)c1=O
BDBM235379 COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cccc(SC)c2)c1=O
BDBM235380 COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cccc(c2)S(C)(=O)=O)c1=O
BDBM235382 COc1cccc2c1ncc1c2n([C@@H]2CCNC2)c(=O)n(-c2cccc(Cl)c2)c1=O |r|
BDBM235293 CCCn1c2c3cccc(OC)c3ncc2c(=O)n(CC)c1=O
BDBM235294 CCCCn1c2c3cccc(OC)c3ncc2c(=O)n(CC)c1=O
BDBM235295 CCn1c(=O)n(CC(C)C)c2c3cccc(OC)c3ncc2c1=O
BDBM235383 COc1cccc2c1ncc1c2n([C@H]2CCN(C2)C(=O)OC(C)(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O |r|
BDBM235384 COc1cccc2c1ncc1c2n([C@H]2CCNC2)c(=O)n(-c2cccc(Cl)c2)c1=O |r|
BDBM235386 COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc3OCCOc3c2)c1=O
BDBM235388 COC(=O)N1CCC(CC1)n1c2c3cccc(OC)c3ncc2c(=O)n(-c2cccc(Cl)c2)c1=O
BDBM235278 CCn1c(=O)n(C2CCCC2)c2c3cccc(OC)c3ncc2c1=O
BDBM235305 CCn1c(=O)n(C2CCCC2)c2c3cc(Cl)cc(OC)c3ncc2c1=O
BDBM235306 CCn1c(=O)n(C2CCCC2)c2c3cc(F)cc(OC)c3ncc2c1=O
BDBM235390 COc1cccc2c1ncc1c2n(CC2CCN(CC2)S(C)(=O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O
BDBM235308 CCn1c(=O)n(C2CCCC2)c2c3cccc(OC(F)(F)F)c3ncc2c1=O
BDBM235311 CCn1c(=O)n(C(C)C)c2c3cccc(OC)c3ncc2c1=O
BDBM235312 CCC(C)n1c(=O)n(C2CCCC2)c2c3cccc(OC)c3ncc2c1=O
BDBM235313 COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccccc2)c1=O
BDBM235315 CCn1c(=O)n(C2CCCC2)c2c3cccc(C)c3ncc2c1=O
BDBM235319 CCn1c(=O)n(C2CCC(C)CC2)c2c3cccc(OC)c3ncc2c1=O |(5.33,1.93,;4,2.69,;2.67,1.92,;1.33,2.69,;1.33,4.23,;,1.92,;-1.33,2.69,;-1.33,4.23,;-2.67,5,;-4,4.23,;-5.33,5,;-4,2.69,;-2.67,1.93,;,.38,;-1.33,-.39,;-2.67,.38,;-4,-.39,;-4,-1.93,;-2.67,-2.7,;-2.67,-4.23,;-4,-5,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;1.33,-.39,;2.67,.38,;4,-.39,)|
BDBM235320 CCOC(=O)Cn1c(=O)n(C2CCCC2)c2c3cccc(OC)c3ncc2c1=O
BDBM235321 CCn1c(=O)n(CCCF)c2c3cccc(OC)c3ncc2c1=O
BDBM235322 COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(C)c1=O
BDBM235327 COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc(C)cc2)c1=O
BDBM235344 COc1cccc2c1ncc1c2n(C2CCC(C)CC2)c(=O)n(-c2cccc(Cl)c2)c1=O |(-5.33,-5,;-4,-4.23,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,2.69,;-2.67,4.23,;-4,5,;-5.33,4.23,;-6.67,5,;-5.33,2.69,;-4,1.93,;,2.69,;,4.23,;1.33,1.93,;2.67,2.69,;2.67,4.23,;4,5,;5.33,4.23,;5.33,2.69,;6.67,1.93,;4,1.93,;1.33,.38,;2.67,-.38,)|
BDBM235345 COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cccc(Cl)c2)c1=O
BDBM235347 CCc1cccc(c1)-n1c(=O)n(C2CCCC2)c2c3cccc(OC)c3ncc2c1=O
BDBM235350 COc1cccc2c1ncc1c2n(C2CCC(C)CC2)c(=O)n(-c2cccc(C)c2)c1=O |(-5.33,-5,;-4,-4.23,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,2.69,;-2.67,4.23,;-4,5,;-5.33,4.23,;-6.67,5,;-5.33,2.69,;-4,1.93,;,2.69,;,4.23,;1.33,1.93,;2.67,2.69,;2.67,4.23,;4,5,;5.33,4.23,;5.33,2.69,;6.67,1.93,;4,1.93,;1.33,.38,;2.67,-.38,)|
BDBM235355 CCCCn1c2c3cccc(OC)c3ncc2c(=O)n(-c2cccc(C)c2)c1=O
BDBM235358 COc1cccc2c1ncc1c2n(C2CCC(F)(F)CC2)c(=O)n(-c2cccc(Cl)c2)c1=O
BDBM235359 COc1cccc2c1ncc1c2n(C2CCN(CC2)C(=O)OC(C)(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O
BDBM235360 COc1cccc2c1ncc1c2n(C2CCNCC2)c(=O)n(-c2cccc(Cl)c2)c1=O
BDBM235361 COc1cccc2c1ncc1c2n(C2CCN(CC2)C(C)=O)c(=O)n(-c2cccc(Cl)c2)c1=O
BDBM235362 COc1cccc2c1ncc1c2n(C2CCN(CC2)C(=O)c2ccccc2)c(=O)n(-c2cccc(Cl)c2)c1=O
BDBM235363 COc1cccc2c1ncc1c2n(C2CCN(CC2)S(=O)(=O)C(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O
BDBM235364 COc1cccc2c1ncc1c2n(C2CCN(CC2)S(=O)(=O)N(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O
BDBM235365 COc1cccc2c1ncc1c2n(C2CCN(CC2)S(=O)(=O)c2ccccc2)c(=O)n(-c2cccc(Cl)c2)c1=O
BDBM235366 COc1cccc2c1ncc1c2n(C2CCN(CC2)S(=O)(=O)C2CCS(=O)(=O)C2)c(=O)n(-c2cccc(Cl)c2)c1=O
BDBM235367 CCNC(=O)N1CCC(CC1)n1c2c3cccc(OC)c3ncc2c(=O)n(-c2cccc(Cl)c2)c1=O
BDBM287835 COc1cccc2c1ncc1c2n([C@@H]2CCN(C2)C(=O)OC(C)(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O |r|