mol1
stringlengths 6
108
| mol2
stringlengths 6
108
| sim
float64 0.5
0.95
|
|---|---|---|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(OC(C)=O)c2c(c1Cl)OC(c1ccccc1)CC2=O
| 0.574468
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc2oc(C3C(C)C(O)C(C)(C)C3O)cc2c2c1CCC(c1ccccc1)O2
| 0.54
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc2c(c3c1CCC(c1ccccc1)O3)C1CC(c3ccccc3)Oc3cc(O)cc(c31)O2
| 0.545455
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1c(C)c2c(c(O)c1C=O)C(=O)CC(c1ccccc1)O2
| 0.55914
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1c(C)c(O)c(C=O)c2c1C(O)CC(c1ccccc1)O2
| 0.55914
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
CCOC1CC(c2ccccc2)Oc2c(C)c(O)c(C=O)c(OC)c21
| 0.530612
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(C2CC(=O)c3c(O)c(C)c(OC(C)=O)c(C)c3O2)ccc1OC(C)=O
| 0.530612
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1c(C)c(O)c(C=O)c2c1C(OC)CC(c1ccccc1)O2
| 0.553191
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc2c(c3c1C(=O)CC(c1ccccc1)O3)C(OC(C)=O)C(OC(C)=O)C(C)(C)O2
| 0.5
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1c(C)c(O)c(C)c2c1C(=O)CC(c1ccccc1)O2
| 0.590909
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1c(C=O)c(O)c(C)c2c1C(O)CC(c1ccccc1)O2
| 0.55914
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1c(C)c(O)c(C=O)c2c1C(=O)CC(c1ccccc1)O2
| 0.55914
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1c(O)cc2c(c1C)OC(c1ccc(O)cc1)CC2
| 0.581395
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1c(OCC=C(C)C)cc(O)c2c1OC(c1ccccc1)CC2=O
| 0.510204
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(O)c2c(c1C1CCCN1)OC(c1ccc(O)cc1)CC2
| 0.5
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(O)c(OC)c2c1C(=O)CC(c1ccccc1)O2
| 0.539326
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1c(O)c2c(c(O)c1OC)C(=O)CC(c1ccccc1)O2
| 0.564706
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1c(O)c(OC)c2c(c1OC)OC(c1ccccc1)CC2=O
| 0.55814
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(O)c2c(c1OC)OC(c1ccccc1)CC2=O
| 0.545455
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1c(Cc2ccccc2O)c(O)c2c(c1Cc1ccccc1O)OC(c1ccccc1)CC2=O
| 0.5
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(O)c2c(c1C)OC(c1ccccc1)CC2=O
| 0.545455
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(OC)c2c(c1)OC(c1ccccc1)CC2
| 0.571429
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
Cc1c(O)cc(O)c2c1OC(c1ccc(O)cc1)CC2
| 0.560976
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(OC)c2c(c1C)OC(c1ccccc1)CC2=O
| 0.534884
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1c(C)c(O)c2c(c1C)OC(c1cc3c(cc1O)OCO3)CC2
| 0.5
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1c(Cl)cc2c(c1Cl)OC(c1ccccc1)CC2=O
| 0.528736
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
CC(=O)Oc1ccc(C2CCCC(=O)O2)cc1
| 0.536585
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(C2CCc3ccc(OC)c(OC)c3O2)cc(O)c1OC
| 0.5
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1ccc(C2CCc3ccc(O)c(C)c3O2)cc1O
| 0.505747
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1ccc2c(c1O)OC(c1cc(OC)c(OC)c(OC)c1)CC2
| 0.511628
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(O)c2c(c1O)OC(c1ccccc1)CC2=O
| 0.505747
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(OC)c2c(c1O)C(=O)CC(c1ccccc1)O2
| 0.505747
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1ccc2c(c1)OC(c1ccccc1)CC2
| 0.536585
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1c(Cl)ccc2c1C(=O)CC(c1ccccc1)O2
| 0.511628
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
Cc1cc2c(c(C)c1O)OC(c1ccc(O)cc1)CC2
| 0.506024
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
Cc1cc2c(c(C)c1O)OC(c1ccccc1)CC2=O
| 0.5
|
COc1c(C)c(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(O)cc2c1CCC(c1ccc(O)cc1)O2
| 0.5
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(OC(C)=O)cc2c1CCC(c1ccccc1)O2
| 0.777778
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1c(C)c(OC(C)=O)cc2c1CCC(c1ccccc1)O2
| 0.73913
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc2oc(C(=O)O)cc2c2c1CCC(c1ccccc1)O2
| 0.731183
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(O)c(C=O)c2c1CCC(c1ccccc1)O2
| 0.741573
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1c(C)c(OC(C)=O)c(Br)c2c1CCC(c1ccccc1)O2
| 0.709677
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(O)c(C=Cc2c(OC)cc(OC)c3c2OC(c2ccccc2)CC3)c(OC)c1C
| 0.673469
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(O)c(CCc2c(OC)cc(OC)c3c2OC(c2ccccc2)CC3)c(OC)c1C
| 0.673469
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1c(Cl)c(OC(C)=O)c(Cl)c2c1CCC(c1ccccc1)O2
| 0.725275
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc2oc(C3=C(C)C(=O)C(C)(C)C3=O)cc2c2c1CCC(c1ccccc1)O2
| 0.633663
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc2oc(-c3c(O)cc(O)c(C)c3OC)cc2c2c1CCC(c1ccccc1)O2
| 0.633663
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(O)c(C)c2c1CCC(c1ccccc1)O2
| 0.744186
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(OC(C)=O)c2c(c1Cl)OC(c1ccccc1)CC2=O
| 0.688172
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(O)c(-c2cc3c4c(c(OC)cc3o2)CCC(c2ccccc2)O4)c(OC)c1C
| 0.633663
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(OC)c(C=Cc2c(OC)cc(OC)c3c2OC(c2ccccc2)CC3)c(OC)c1C
| 0.688172
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(OC)c(CCc2c(OC)cc(OC)c3c2OC(c2ccccc2)CC3)c(OC)c1C
| 0.688172
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(O)c(-c2cc3c(OC)c(C)c(O)cc3o2)c2c1CCC(c1ccccc1)O2
| 0.633663
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc2oc(C3C(C)C(O)C(C)(C)C3O)cc2c2c1CCC(c1ccccc1)O2
| 0.646465
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc2c(c3c1CCC(c1ccccc1)O3)C1CC(c3ccccc3)Oc3cc(O)c(C)c(c31)O2
| 0.633663
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc2c(c3c1CCC(c1ccccc1)O3)C1CC(c3ccccc3)Oc3cc(O)cc(c31)O2
| 0.653061
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc2c(c3c1C(=O)CC(c1ccccc1)O3)C1C(O2)OC(C)(C)C1OC(C)=O
| 0.552381
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc2c(c3c1C(=O)CC(c1ccccc1)O3)C(OC(C)=O)C(OC(C)=O)C(C)(C)O2
| 0.563107
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(C(=O)CCc2c(O)c(C)c3c(c2OC)CCC(c2ccc(C)cc2)O3)ccc1O
| 0.528302
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(OC)c2c(c1)OC(c1ccccc1)CC2
| 0.674699
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(O)c2c(c1C1CCCN1)OC(c1ccc(O)cc1)CC2
| 0.568421
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
C=C(C)C(O)Cc1c(OC)cc(OC)c2c1OC(c1ccccc1)CC2=O
| 0.556701
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(C2Oc3c(C)c4c(c(OC)c3CC2O)CCC(c2ccc(O)cc2)O4)cc(OC)c1O
| 0.545455
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(OC)c2c(c1CC=C(C)C)OC(c1ccccc1)CC2OC
| 0.574468
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
C=C(C)C=Cc1c(OC)cc(OC)c2c1OC(c1ccccc1)CC2=O
| 0.568421
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(OC)c2c(c1CC=C(C)C)OC(c1ccccc1)CC2=O
| 0.574468
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(C2CC(=O)c3c(O)c(C)c(OC(C)=O)c(C)c3O2)ccc1OC(C)=O
| 0.556701
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(OCC=C(C)C)c(CC=C(C)C)c2c1C(=O)CC(c1ccccc1)O2
| 0.545455
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(C2CC(=O)c3c(OC(C)=O)c(C)c(OC(C)=O)c(C)c3O2)ccc1OC(C)=O
| 0.568421
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc2c(c(OC)c1C)CCC(c1ccccc1)O2
| 0.635294
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
CC=C(C)C(CC=C(C)C)c1c(OC)cc(O)c2c1OC(c1ccccc1)CC2=O
| 0.509804
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(C(=O)CCc2cc3c(c(C)c2O)OC(c2ccc(C)cc2)CC3)ccc1O
| 0.504854
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(O)c(C=O)c2c1C(OC)CC(c1ccccc1)O2
| 0.571429
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(OC)c2c(c1CC=C(C)C)OC(c1ccccc1)CC2O
| 0.565217
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(OC)c2c(c1O)C(=O)CC(c1ccccc1)O2
| 0.604651
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(OC2CC(CO)C(O)C(O)C2O)c2c(c1OC)OC(c1ccccc1)CC2=O
| 0.504854
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(OC(C)=O)c(OC)c2c1C1COc3cc(OC(C)=O)ccc3C1O2
| 0.515464
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(O)c(C=O)c2c1C(O)CC(c1ccccc1)O2
| 0.555556
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cccc(O)c1Cc1c(O)cc(O)c2c1OC(c1ccccc1)CC2=O
| 0.526316
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc2c(c3c1C(OC)CC(c1ccccc1)O3)C=CC(C)(C)O2
| 0.526316
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(OC)c2c(c1C)OC(c1ccccc1)CC2=O
| 0.588235
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(O)c(OC)c2c1C(=O)CC(c1ccccc1)O2
| 0.568182
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc2c(c3c1C(=O)CC(c1ccccc1)O3)C=CC(C)(C)O2
| 0.526316
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(O)c2c(c1CCC(C)(C)O)OC(c1ccccc1)CC2=O
| 0.520833
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(O)c(C=O)c2c1C(=O)CC(c1ccccc1)O2
| 0.555556
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(O)c2c(c1O)OC(c1ccccc1)CC2=O
| 0.581395
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1c(OCC=C(C)C)cc(O)c2c1OC(c1ccccc1)CC2=O
| 0.515464
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(C2Oc3c(OC)cc(CCCOC(C)=O)cc3C2COC(C)=O)ccc1OC(C)=O
| 0.5
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(C2c3cc4c(cc3CC(C)C2C)OCO4)ccc1OC(C)=O
| 0.526316
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(O)c2c(c1OC)OC(c1ccccc1)CC2=O
| 0.574713
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(O)c2c(c1C)OC(c1ccccc1)CC2=O
| 0.574713
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(C2Oc3c(cc4c(c3C)OC(c3ccc(O)cc3)CC4)CC2O)cc(OC)c1O
| 0.520833
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(O)cc2c1CCC(c1ccc(O)cc1)O2
| 0.60241
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(O)c2c(c1CC=C(C)C)OC(c1ccc(O)cc1O)CC2
| 0.526316
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(O)c(Cc2ccccc2O)c2c1C(=O)CC(c1ccccc1)O2
| 0.526316
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc2c(c3c1C(O)CC(c1ccccc1)O3)C=CC(C)(C)O2
| 0.526316
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COCc1c(OC)cc(OC)c2c1OC(c1ccccc1)CC2=O
| 0.561798
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(C2Oc3c(OC)cc4ccc(=O)oc4c3OC2C)ccc1OC(C)=O
| 0.515464
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(C2OCC3C(c4ccc(O)cc4)OCC23)ccc1OC(C)=O
| 0.551724
|
COc1cc(OC(C)=O)c(I)c2c1CCC(c1ccccc1)O2
|
COc1cc(O)cc(C2CCc3c(O)cc(O)c(CC=C(C)C)c3O2)c1
| 0.505263
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.