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69 SMILES Strings for Isocitrate lyase

Compound NameSMILES String
BDBM10755 NCCc1c[nH]c2ccc(O)cc12
BDBM50204438 Oc1ccc2[nH]c3c(CCNC3=O)c2c1
BDBM50206257 C[C@H](CCC\C(C)=C\Cc1cc(O)ccc1O)[C@@H](C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C)OS([O-])(=O)=O |r,c:22|
BDBM50206259 C[C@H](CCC\C(C)=C\Cc1cc(O)ccc1O)[C@H](O)C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C |r,c:23|
BDBM50206193 COc1cccc(c1)C1NCCc2c1[nH]c1ccccc21 |w:8.8|
BDBM50276408 OC(=O)C1=NCCc2c1[nH]c1ccc(O)cc21 |t:3|
BDBM50274515 [O-]C(=O)CC[N+]([O-])=O
BDBM50274474 C\C(CCC\C(C)=C\Cc1cc(O)ccc1O)=C/C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C |r,c:22|
BDBM50274475 C[C@H](CCC\C(C)=C\Cc1cc(O)ccc1O)[C@@H](C[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C)OS([O-])(=O)=O |r|
BDBM50276439 COC(=O)c1c[nH]c2ccc(O)cc12
BDBM50276440 OCC(=O)c1c[nH]c2ccc(O)cc12
BDBM50276441 Oc1ccc2[nH]cc(C=O)c2c1
BDBM50276442 Oc1ccc2[nH]cc(C(=O)C(=O)c3c[nH]c4ccc(O)cc34)c2c1
BDBM50274512 C[C@@H]1CCC=C(C)[C@@]1(C)CC\C(C)=C\CCC(CCCc1ccoc1)COS([O-])(=O)=O |r,t:4|
BDBM50274513 C[C@@H]1CCC2=C(CCCC2(C)C)[C@@]1(C)CC[C@H](CCCc1ccoc1)COS([O-])(=O)=O |r,t:4|
BDBM50274514 C[C@@H]1CC[C@@]2(C)[C@H](CCCC2=C)[C@@]1(C)CC[C@H](CCCc1ccoc1)COS([O-])(=O)=O |r|
BDBM50329689 Oc1cc(Br)c(Cc2cc(O)c(O)cc2Br)cc1O
BDBM50329690 Oc1ccc(Oc2ccc(O)c(O)c2)cc1O
BDBM50329691 Oc1ccc(Oc2cc(O)c(O)cc2Br)cc1O
BDBM50329692 Oc1cc(Br)c(Oc2cc(O)c(O)cc2Br)cc1O
BDBM50331610 C1Cc2c([nH]c3ccccc23)C(N1)c1ccc2ccccc2c1
BDBM50331611 COc1ccc(cc1)C1NCCc2c1[nH]c1ccccc21
BDBM50329688 Oc1cc(Cc2cc(O)c(O)c(Br)c2Br)c(Br)c(Br)c1O
BDBM50329693 Oc1cc(Oc2cc(O)c(O)c(Br)c2Br)c(Br)c(Br)c1O
BDBM50329694 Oc1ccc(cc1O)C(=O)c1ccc(O)c(O)c1
BDBM50329695 Oc1cc(cc(Br)c1O)C(=O)c1cc(O)c(O)c(Br)c1
BDBM50329696 Oc1cc(cc(Br)c1O)C(=O)c1cc(O)c(O)c(Br)c1Br
BDBM50329697 Oc1ccc(CCc2ccc(O)c(O)c2)cc1O
BDBM50329698 Oc1cc(Br)c(CCc2cc(O)c(O)cc2Br)cc1O
BDBM50329699 Oc1cc(Br)c(CCc2cc(O)c(O)c(Br)c2Br)cc1O
BDBM50329700 Oc1cc(Br)c(COCc2cc(O)c(O)c(Br)c2Br)cc1O
BDBM50329701 Oc1cc(COCc2cc(O)c(O)c(Br)c2Br)c(Br)c(Br)c1O
BDBM50358277 CCCCCC(c1cc(Br)c(O)cc1O)c1cc(Br)c(O)cc1O
BDBM50358278 Oc1ccc(cc1)C(c1cc(Br)c(O)cc1O)c1cc(Br)c(O)cc1O
BDBM50358279 Oc1cc(O)c(cc1Br)C(c1cc(Br)c(O)cc1O)c1c(Cl)cccc1Cl
BDBM50358280 Oc1cc(O)c(cc1Br)C(c1cccc(c1)[N+]([O-])=O)c1cc(Br)c(O)cc1O
BDBM50358281 Oc1cc(O)c(cc1Br)C(c1ccc(cc1)[N+]([O-])=O)c1cc(Br)c(O)cc1O
BDBM50358282 CCCCCC(c1ccc(O)cc1O)c1cc(Br)c(O)cc1O
BDBM50358283 Oc1ccc(cc1)C(c1ccc(O)cc1O)c1cc(Br)c(O)cc1O
BDBM50358284 Oc1ccc(C(c2cc(Br)c(O)cc2O)c2c(Cl)cccc2Cl)c(O)c1
BDBM50358285 Oc1ccc(C(c2cccc(c2)[N+]([O-])=O)c2cc(Br)c(O)cc2O)c(O)c1
BDBM50358286 Oc1ccc(C(c2ccc(cc2)[N+]([O-])=O)c2cc(Br)c(O)cc2O)c(O)c1
BDBM50358287 CCCCCC(c1ccc(O)cc1O)c1ccc(O)cc1O
BDBM50351160 C\C(CCC\C(C)=C\Cc1cc(O)ccc1O)=C\C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C |r,c:22|
BDBM50351162 CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H](CCc3ccoc3)\C(CC[C@H]21)=C\OS([O-])(=O)=O |r|
BDBM50351164 CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H](CCC3=CC(=O)O[C@@H]3O)\C(CC[C@H]21)=C\OS([O-])(=O)=O |r,t:17|
BDBM50351165 CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H](CCC3=CC(=O)OC3)\C(CC[C@H]21)=C\OS([O-])(=O)=O |r,t:17|
BDBM50351166 CO[C@H]1OC(=O)C(CC[C@H]2\C(CC[C@H]3[C@]2(C)CC[C@H]2C(C)(C)CCC[C@]32C)=C\OS([O-])(=O)=O)=C1 |r,c:35|
BDBM50351167 CO[C@@H]1OC(=O)C(CC[C@H]2\C(CC[C@H]3[C@]2(C)CC[C@H]2C(C)(C)CCC[C@]32C)=C\OS([O-])(=O)=O)=C1 |r,c:35|
BDBM50351168 CO[C@@H]1O[C@H](OC)C(CC[C@H]2\C(CC[C@H]3[C@]2(C)CC[C@H]2C(C)(C)CCC[C@]32C)=C\OS([O-])(=O)=O)=C1 |r,c:36|
BDBM50351169 CO[C@@H]1O[C@H](OC)[C@](O)(CC[C@H]2\C(CC[C@H]3[C@]2(C)CC[C@H]2C(C)(C)CCC[C@]32C)=C\OS([O-])(=O)=O)[C@H]1O |r|
BDBM50351170 CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H](CCC3=CCNC3=O)\C(CC[C@H]21)=C\OS([O-])(=O)=O |r,t:17|
BDBM50351171 C[C@H](CCC\C(C)=C/Cc1cc(O)ccc1O)[C@@H](C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C)OS([O-])(=O)=O |r,c:22|
BDBM50370994 C[C@@H]1CC[C@@]2(C)[C@H](CCCC2=C)[C@@]1(C)CCC(CCCc1ccoc1)COS([O-])(=O)=O |w:16.17|
BDBM50386865 Oc1ccc(cc1)C(=O)c1nccc2c3cc(Br)ccc3[nH]c12
BDBM50386866 Oc1ccc(cc1Br)C(=O)c1nccc2c3ccccc3[nH]c12
BDBM50386870 OC(c1ccc(O)cc1)c1nccc2c3ccccc3[nH]c12
BDBM50386873 Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1Br)C(O)c1nccc2c3cc(Br)ccc3[nH]c12
BDBM50386874 OC(c1ccccc1)c1nccc2c3cc(Br)ccc3[nH]c12
BDBM50386875 Oc1ccc(cc1)C(=O)c1nccc2c3ccccc3[nH]c12
BDBM50402848 COC(=O)C(C(=O)c1cc(Br)c(O)c(Br)c1)=C(C(=O)OC)c1ccc(O)c(Br)c1 |w:16.17|
BDBM50402849 COC(=O)C(C(=O)c1cc(Br)c(O)c(Br)c1)=C(C(=O)OC)c1cc(Br)c(O)c(Br)c1 |w:16.17|
BDBM50402850 [#6]-[#8]-[#6](=O)-[#6]1=[#6](-[#6](=O)-[#8]\[#6]-1=[#6](/c1cc(Br)c(-[#8])c(Br)c1)-c1cc(Br)c(-[#8])c(Br)c1)-c1cc(Br)c(-[#8])c(Br)c1 |t:4|
BDBM50402851 COc1ccc(C=C2OC(=O)C([C@@H](O)c3cc(Br)c(OC)c(Br)c3)=C2c2cc(Br)c(O)c(Br)c2)cc1 |r,w:6.5,c:24|
BDBM50402852 COc1c(Br)cc(cc1Br)[C@H](O)C1=C(\C(OC1=O)=C\c1ccc(O)c(Br)c1)c1ccc(O)c(Br)c1 |r,t:13|
BDBM50402853 Oc1ccc(cc1Br)C1=C(C(=O)c2cc(Br)c(O)c(Br)c2)C(=O)O\C1=C/c1cc(Br)c(O)c(Br)c1 |c:9|
BDBM50436920 COC(=O)C(\C(=O)c1cc(Br)c(O)c(Br)c1)=C(/C(=O)OC)c1ccc(O)c(Br)c1
BDBM50436921 COC(=O)C(\C(=O)c1cc(Br)c(O)c(Br)c1)=C(/C(=O)OC)c1cc(Br)c(O)c(Br)c1
BDBM50436922 COc1ccc(\C=C2/OC(=O)C([C@@H](O)c3cc(Br)c(OC)c(Br)c3)=C2c2cc(Br)c(O)c(Br)c2)cc1 |r,c:24|