Compound Name

SMILES String

CCCCCCc1ccc(c(c1)O)Oc2ccccc2C#N

O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC(C1)OCc1ccccc1

O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC(COc2ccccc2)C1

Fc1ccccc1OCC1CN(C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1

Fc1cccc(OCC2CN(C2)C(=O)\C=C\c2cnc3NC(=O)CCc3c2)c1

Fc1ccc(OCC2CN(C2)C(=O)\C=C\c2cnc3NC(=O)CCc3c2)cc1

Cc1ccccc1OCC1CN(C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1

Cc1ccc(OCC2CN(C2)C(=O)\C=C\c2cnc3NC(=O)CCc3c2)cc1

O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC(COc2ccc3ccccc3c2)C1

O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC(C1)c1nc2ccccc2s1

Cc1c(sc2ccccc12)C1CN(C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1

Cc1c(oc2ccccc12)C1CN(C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1

Cc1c(oc2ccc(Cl)cc12)C1CN(C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1

Cc1cc(nc2ccccc12)C1CN(C1)C(=O)\C=C\c1cnc2NC(=O)CCc2c1

O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC(C1)c1ccccn1

O=C(\C=C\c1cnc2NC(=O)CCc2c1)N1CC(C1)c1ccccc1

CC(=O)Nc1ccc(\C=C\C(=O)N2CC(C2)c2oc3ccccc3c2C)cn1

Cc1c(oc2ccccc12)C1CN(C1)C(=O)\C=C\c1ccc(NC(=O)Cn2ccnn2)nc1

Cc1c(oc2ccccc12)C1CN(C1)C(=O)\C=C\c1cnc2NC(=O)N(CCN3CCOCC3)Cc2c1

Cc1c(oc2ccccc12)C1CN(C1)C(=O)\C=C\c1cnc2NC(=O)CNCc2c1

CN1Cc2cc(\C=C\C(=O)N3CC(C3)c3oc4ccccc4c3C)cnc2NC(=O)C1

Cc1c(oc2ccccc12)C1CN(C1)C(=O)\C=C\c1cnc2NC(=O)CN(CCN3CCOCC3)Cc2c1

Cc1c(oc2ccccc12)C1CN(C1)C(=O)\C=C\c1cnc2NC(=O)CCNc2c1

CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c1cnc2NC(=O)CCc2c1

[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc(cc1-[#8])-c1cc2ccc(-[#8])cc2o1

Oc1cc(oc(=O)c1)[C@@H]1[C@H](Oc2cc(\C=C\c3cc(O)c(O)cc3-c3c(O)cc(\C=C\c4ccc(O)c(O)c4)oc3=O)oc(=O)c12)c1ccc(O)c(O)c1 |r,wU:8.8,wD:9.51,(-3.09,.5,;-1.55,.47,;-.81,-.89,;.72,-.91,;1.53,.41,;.78,1.75,;1.59,3.07,;-.76,1.79,;1.47,-2.26,;.55,-3.5,;1.46,-4.75,;2.92,-4.29,;4.25,-5.07,;5.59,-4.3,;6.92,-5.07,;8.25,-4.3,;9.58,-5.06,;10.92,-4.3,;12.25,-5.06,;13.59,-4.29,;12.26,-6.61,;13.59,-7.38,;10.92,-7.38,;9.58,-6.61,;7.48,-7.73,;6.17,-6.92,;6.11,-5.65,;4.82,-7.66,;4.79,-9.21,;3.44,-9.95,;2.12,-9.15,;.77,-9.89,;-.54,-9.09,;-1.88,-9.83,;-1.92,-11.37,;-3.27,-12.11,;-.59,-12.17,;-.62,-13.71,;.75,-11.42,;6.12,-10.01,;7.46,-9.26,;8.78,-10.06,;5.59,-2.75,;4.26,-1.98,;4.26,-.44,;2.93,-2.74,;-.98,-3.49,;-1.76,-4.81,;-3.3,-4.81,;-4.06,-3.47,;-5.61,-3.45,;-3.28,-2.14,;-4.04,-.79,;-1.74,-2.15,)|

Oc1cc(oc(=O)c1)[C@@H]1[C@H](Oc2cc(\C=C\c3ccc(O)c(O)c3)oc(=O)c12)c1ccc(O)c(O)c1 |r|

COc1ccccc1C1CCN(C1)C(=O)Cc1ccccc1F

Fc1cccc(Cl)c1CC(=O)N1CCC(C1)c1ccc2OCOc2c1

CC(=O)Nc1ccc(CC(=O)N2CCC(C2)c2nccs2)cc1

Clc1ccccc1CC(=O)N1CCC(C1)c1ccccn1

CC(=O)Nc1ccc(\C=C\C(=O)N2CCC(C2)c2nccs2)cn1

Fc1ccccc1CC(=O)N1CCC(C1)c1ccccc1

Fc1cccc(F)c1CC(=O)N1CCC(C1)c1ccccc1

Fc1cccc(CC(=O)N2CCC(C2)c2ccc3OCOc3c2)c1F

COc1ccc(cc1)C1CCN(C1)C(=O)\C=C\c1ccc(NC(C)=O)nc1

Clc1ccccc1CC(=O)N1CCC(C1)c1ccccc1

CC(=O)Nc1ccc(\C=C\C(=O)N2CCC(C2)c2ccccn2)cn1

COc1ccccc1C1CCN(C1)C(=O)Cc1c(F)cccc1F

COc1ccccc1C1CCN(C1)C(=O)\C=C\c1ccc(NC(C)=O)cc1

CC(=O)Nc1ccc(\C=C\C(=O)N2CCC(C2)c2ccc3OCOc3c2)cn1

CC(=O)Nc1ccc(\C=C\C(=O)N2CCC(C2)c2ccccc2)cn1

CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC(C2)c2ccc3OCOc3c2)cc1

CC(=O)Nc1ccc(CC(=O)N2CCC(C2)c2ccc3OCOc3c2)cc1

CC(=O)Nc1ccc(CC(=O)N2CCC(C2)c2ccccc2)cc1

Fc1ccccc1CC(=O)N1CCC(C1)c1ccc2OCOc2c1

Clc1ccccc1CC(=O)N1CCC(C1)c1nccs1

COc1ccc(cc1)C1CCN(C1)C(=O)Cc1ccccc1Cl

Fc1cccc(CC(=O)N2CCC(C2)c2ccccc2)c1F

COc1ccccc1C1CCN(C1)C(=O)Cc1cccc(F)c1F

COc1ccccc1C1CCN(C1)C(=O)Cc1ccccc1Cl

Fc1cccc(F)c1CC(=O)N1CCC(C1)c1ccc2OCOc2c1

COc1ccccc1C1CCN(C1)C(=O)Cc1ccc(NC(C)=O)cc1

COc1ccc(cc1)C1CCN(C1)C(=O)Cc1ccc(NC(C)=O)cc1

COc1ccccc1C1CCN(C1)C(=O)\C=C\c1ccc(NC(C)=O)nc1

Clc1ccccc1CC(=O)N1CCC(C1)c1ccc2OCOc2c1