55 SMILES Strings for DNA polymerase lambda
Compound Name
SMILES String
CC1Cc2c(C=O)ccc(O)c2C(=O)O1 |w:1.0|
CC1Cc2cccc(O)c2C(=O)O1
CCCCC(=O)C=C(C)C=CCCC(=O)N1CCCC1=O |w:6.5,9.8|
CCCCCCCCCCCC(=O)Oc1cccc2C(=O)C=CC(=O)c12 |c:21|
CCCCCCCC\C=C/CCCCCCCC(=O)Oc1cccc2C(=O)C=CC(=O)c12 |c:27|
CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O |r|
CCCC[C@@H](O)\C=C(/C)\C=C\C=C\C(=O)N1CCCC1=O |r|
CCc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2[N+]([O-])=O)cc1 |w:11.10,c:15|
COc1cc(O)c2c(c1)oc(C)c(CO)c2=O
COc1ccc(C)c2CC(C)OC(=O)c12 |w:9.9|
COc1cccc2C(O)CCC(=O)c12
COc1cccc2C(O)CCC(O)c12 |w:11.11,7.7|
COc1cccc2CC(C)OC(=O)c12 |w:8.8|
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@]21CC[C@]3(O)CO |r|
C\C(\C=C\CCC(=O)N1CCCC1=O)=C/C1CCCCO1
C\C=C\C1=CC2=CC(=O)[C@@](C)(O)[C@@H](OC(=O)c3c(C)cc(O)cc3O)[C@@H]2CO1 |r,t:3,5|
C\C=C\C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3O)[C@@H](O)[C@@H]2CO1 |r,t:3,5|
Cc1cc(C)cc(Sc2ccc(C=C3SC(S)=NC3=O)cc2[N+]([O-])=O)c1 |w:12.11,c:16|
Cc1cc(O)cc(O)c1C(=O)O[C@H]1[C@@H]2COC(\C=C\CO)=CC2=CC(=O)[C@@]1(C)O |r,c:21,24|
Cc1ccc(Sc2ccc(C=C3SC(O)=NC3=O)cc2[N+]([O-])=O)cc1 |w:10.9,c:14|
Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)c(Sc3ccc(C)cc3)c2)cc1 |w:10.9,c:14|
Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2)cc1 |w:10.9,c:14|
Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2Br)cc1 |w:10.9,c:14|
Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2Br)cc1F |w:10.9,c:14|
Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2C#N)cc1 |w:10.9,c:14|
Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2C(F)(F)F)cc1 |w:10.9,c:14|
Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2Cl)cc1 |w:10.9,c:14|
Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2F)cc1 |w:10.9,c:14|
Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2[N+]([O-])=O)cc1 |w:10.9,c:14|
Cc1ccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2[N+]([O-])=O)cc1F |w:10.9,c:14|
Cc1ccc(Sc2ccc(cc2[N+]([O-])=O)C(=C)c2sc(S)nc2O)cc1
Cc1ccc(Sc2sc(C=C3SC(S)=NC3=O)cc2Br)cc1 |w:9.8,c:13|
Cc1ccc(cc1)S(=O)(=O)c1ccc(C=C2SC(S)=NC2=O)cc1[N+]([O-])=O |w:14.14,c:19|
Cc1cccc(Sc2ccc(C=C3SC(S)=NC3=O)cc2[N+]([O-])=O)c1 |w:11.10,c:15|
Cc1ccccc1Sc1ccc(C=C2SC(S)=NC2=O)cc1 |w:12.12,c:17|
Cc1ccccc1Sc1ccc(C=C2SC(S)=NC2=O)cc1C(F)(F)F |w:12.12,c:17|
Cc1ccccc1Sc1ccc(C=C2SC(S)=NC2=O)cc1F |w:12.12,c:17|
Cc1ccccc1Sc1ccc(C=C2SC(S)=NC2=O)cc1[N+]([O-])=O |w:12.12,c:17|
Cc1cn([C@H]2CC[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r|
[#6]\[#6](-[#6])=[#6]/[#6]-[#6][C@@]1([#6])[#6@H](-[#6]-[#6](-[#8])-[#6](-[#6])=[#6])-[#6][C@@]2([#6]\[#6]=[#6](/[#6])-[#6])[#6](-[#8])=[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6](=O)[C@]1([#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,t:23,TLB:44:43:15.8.6:24.22.35|
[#6]\[#6](-[#6])=[#6]/[#6]-[#6][C@@]1([#6])[#6@H](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6@@H](-[#8])-[#6](-[#6])=[#6])-[#6][C@@]2([#6]\[#6]=[#6](/[#6])-[#6])[#6](-[#8])=[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6](=O)[C@]1([#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,t:28,TLB:49:48:20.8.6:29.27.40|
[#6]\[#6](-[#6])=[#6]/[#6]-[#6][C@@]1([#6])[#6@H](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6@H](-[#8])-[#6](-[#6])=[#6])-[#6][C@@]2([#6]\[#6]=[#6](/[#6])-[#6])[#6](-[#8])=[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6](=O)[C@]1([#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,t:28,TLB:49:48:20.8.6:29.27.40|
[#6]\[#6](-[#6])=[#6]/[#6]-[#6][C@@]1([#6])[#6@H](-[#6]\[#6]=[#6](/[#6])-[#6]\[#6]=[#6]\C([#6])([#6])[#8])-[#6][C@@]2([#6]\[#6]=[#6](/[#6])-[#6])[#6](-[#8])=[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6](=O)[C@]1([#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,t:28,TLB:49:48:20.8.6:29.27.40|
[#6]\[#6](-[#6])=[#6]/[#6]-[#6][C@@]1([#6])[#6@H](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6][C@@]2([#6]\[#6]=[#6](/[#6])-[#6])[#6](-[#8])=[#6](-[#6](=O)-c3cccc(-[#8])c3)-[#6](=O)[C@]1([#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,t:22,TLB:42:41:14.8.6:23.21.33|
[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6@@H]1-[#6][C@@]2([#6]\[#6]=[#6](\[#6])-[#6])[#6](-[#8])=[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6](=O)[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]2=O)[C@@]1([#6])[#6]-[#6]\[#6]=[#6](\[#6])-[#6] |r,t:19,THB:40:39:20.18.31:41.11.10|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6@@H]1-[#6][C@@]2([#6]\[#6]=[#6](/[#6])-[#6])[#6](-[#8])=[#6](-[#6]3-[#8]-[#6@H](-[#6]-[#6][C@]1([#6])[C@@]3([#6]\[#6]=[#6](\[#6])-[#6])[#6]2=O)C([#6])([#6])[#8])-[#6](=O)-c1ccc(-[#8])c(-[#8])c1 |r,c:14,THB:30:29:6.5.21:15.13.16|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#6@H](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6][C@@]2([#6]\[#6]=[#6](/[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6](=O)[C@]1([#6]\[#6]=[#6](\[#6])-[#6])[#6]2=O |r,TLB:43:42:23.21.34:6.14.8|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6@@H]1-[#6][C@@]2([#6]\[#6]=[#6](/[#6])-[#6])[#6](-[#8])=[#6](-[#6]3-[#8]-[#6@H](-[#6]-[#6][C@]1([#6])[C@@]3([#6]\[#6]=[#6](\[#6])-[#6])[#6]2=O)C([#6])([#6])[#8])-[#6](=O)-c1ccc(-[#8])c(-[#8])c1 |r,c:19,THB:35:34:11.10.26:20.18.21|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]C1([#6]\[#6]=[#6](\[#6])-[#6])[#6](-[#8])=[#6](-[#6](=O)-c2ccc(-[#8])c(-[#8])c2)-[#6](=O)-[#6]-2=[#6]1-[#8]C([#6])([#6])[#6]=[#6]-2 |c:32,39,t:17|
[O-][N+](=O)c1cc(C=C2SC(S)=NC2=O)ccc1SC1CCCC1 |w:6.5,c:10|
[O-][N+](=O)c1cc(C=C2SC(S)=NC2=O)ccc1SC1CCCCC1 |w:6.5,c:10|
[O-][N+](=O)c1cc(C=C2SC(S)=NC2=O)ccc1Sc1c(F)c(F)c(c(F)c1F)C(F)(F)F |w:6.5,c:10|
[O-][N+](=O)c1cc(C=C2SC(S)=NC2=O)ccc1Sc1ccc(OC(F)(F)F)cc1 |w:6.5,c:10|
[O-][N+](=O)c1cc(C=C2SC(S)=NC2=O)ccc1Sc1ccc(cc1)C(F)(F)F |w:6.5,c:10|
[O-][N+](=O)c1cc(C=C2SC(S)=NC2=O)ccc1Sc1ccc2ccccc2c1 |w:6.5,c:10|