Compound Name

SMILES String

CC(=O)C[C@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O

CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC12OC1(CF)C(=O)c1ccccc1C2=O

CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC12OC1(CCl)C(=O)c1ccccc1C2=O

CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC12OC1(CO)C(=O)c1ccccc1C2=O

CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC12OC1(C=O)C(=O)c1ccccc1C2=O

CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC12OC1(C(F)F)C(=O)c1ccccc1C2=O

CC(C)CCCC(C)CCCC(C)CCCC(C)CC(O)C12OC1(C)C(=O)c1ccccc1C2=O

CC(C)CCCC(C)CCCC(C)CCCC(C)CC(F)C12OC1(C)C(=O)c1ccccc1C2=O

CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\C(O)C12OC1(C)C(=O)c1ccccc1C2=O

CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC1(C)C(=O)c2ccccc2C(=O)C1(O)CF

CC(=O)CC(C1CCCCCCC1)c1c(O)c2ccccc2oc1=O

CC1(O)CC(c2c(O1)c1ccccc1oc2=O)/C1=C/C=C\C=C/C=C\1 |c:22,24,26,t:20|

CC(=O)CC(c1c(O)c2ccccc2oc1=O)/C1=C/C=C(\C=C/C=C\1)/C(O)=O |c:21,23,25,t:19|

C[C@]1(O)C[C@H](/C2=C/C=C\C=C/C=C\2)[C@]2(COc3ccccc3C2=O)n2n1c(=O)n(-c1ccccc1)c2=O |r,c:7,9,11,t:5|

CC(=O)CC(C1CCCCC1)c1c(O)c2ccccc2oc1=O

Oc1c(C2CC(Oc3ccccc23)c2ccc(cc2)-c2ccccc2)c(=O)oc2ccccc12

O=c1oc2ccccc2c2OC3(CC(c4ccccc4O3)c12)c1ccc(cc1)-c1ccccc1 |THB:1:21:12:20.14.19,15:14:21.9.10:12,8:9:12:20.14.19|

CC(c1ccccc1)c1c(O)c2ccccc2oc1=O

Oc1c(Cc2ccc(Br)cc2)c(=O)oc2ccccc12

CSc1ccc(Cc2c(O)c3ccccc3oc2=O)cc1

Oc1c(Cc2ccc(cc2)C(F)(F)F)c(=O)oc2ccccc12

COc1ccc(Cc2c(O)c3ccccc3oc2=O)cc1

COc1cccc(Cc2c(O)c3ccccc3oc2=O)c1

Oc1c(Cc2ccc3OCOc3c2)c(=O)oc2ccccc12

Oc1c(Cc2cccnc2)c(=O)oc2ccccc12

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]/[#6]-c1c(-[#8])c2ccccc2oc1=O

Oc1c(C2CC(Cc3ccccc23)c2ccc(cc2)-c2ccc(Br)cc2)c(=O)oc2ccccc12

C[C@@H](C[C@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O)O

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c2ccccc2oc1=O

Oc1c(-c2csc(Nc3ccc(cc3)S(O)(=O)=O)n2)c(=O)oc2ccccc12

Cc1cccc(Nc2nc(cs2)-c2c(O)c3ccccc3oc2=O)c1

Oc1c(-c2csc(Nc3cccc(c3)[N+]([O-])=O)n2)c(=O)oc2ccccc12

[#6]-[#6]-[#8]-[#6](=O)-[#6](\[#6](=O)-[#8]-[#6]-[#6])=[#6](\[#6])-c1c(-[#8])c2ccccc2oc1=O

CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\Cc1c(O)c2ccccc2oc1=O

CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O

CCCCCCc1c(O)c2ccccc2oc1=O

CCCCCCCCc1c(O)c2ccccc2oc1=O

CCCCCCCCCCc1c(O)c2ccccc2oc1=O

CCCCCCCCCCCC(c1ccc(OC)cc1)c1c(O)c2ccccc2oc1=O

CCCCCCCCCCCC(c1ccc(cc1)C(C)(C)C)c1c(O)c2ccccc2oc1=O

CCCCCCCCCCCC(c1ccc(F)cc1)c1c(O)c2ccccc2oc1=O

CC(C)CCCC(C)CCCC(C)CCCC(C)CCc1c(O)c2ccccc2oc1=O

CC(C)CCCC(C)CCCC(C)CCCC(C)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O

CCCCCCCCCCCC(c1ccccc1)c1c(O)c2ccccc2oc1=O

CCCCCCCCCCCC(c1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O

CCCCCCCCCCCc1c(O)c2ccccc2oc1=O

CCCCCCCCCCCCc1c(O)c2ccccc2oc1=O

CCCCCCCCCCCC(c1ccc(Cl)cc1Cl)c1c(O)c2ccccc2oc1=O