text
stringlengths 1
71
| label
float64 -25.47
3.43
|
|---|---|
COc1c(cc(c(c1O)OC)Cl)Cl
| -6.44
|
CCCCC
| 2.3
|
CCCC#N
| -3.64
|
[C@@H](C(F)(F)F)(F)Br
| 0.5
|
CC(C)Cc1cnccn1
| -5.04
|
CC[C@H](C)O[N+](=O)[O-]
| -1.82
|
c1ccc(cc1)c2cc(c(c(c2Cl)Cl)Cl)Cl
| -3.48
|
CC[C@@H](C)C(C)C
| 2.52
|
C[C@H](CC(C)C)O
| -3.73
|
C=C(Cl)Cl
| 0.25
|
CC(C)CO
| -4.5
|
CCCOC(=O)CC
| -2.44
|
C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl
| -0.64
|
CCc1ccccc1O
| -5.66
|
CC(C)(C)Cl
| 1.09
|
CC(=C)C=C
| 0.68
|
Cc1ccc(cc1)C(C)C
| -0.68
|
Cn1ccnc1
| -8.41
|
C(CO)O
| -9.3
|
c1ccc(c(c1)Cl)Cl
| -1.36
|
CCCOC=O
| -2.48
|
c1ccc2c(c1)Oc3ccc(cc3O2)Cl
| -3.1
|
CCCCCC(=O)O
| -6.21
|
Cc1ccnc(c1)C
| -4.86
|
C1CCC=CC1
| 0.14
|
CN1CCN(CC1)C
| -7.58
|
c1cc(c(cc1c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl
| -3.04
|
C1=CC(=O)C=CC1=O
| -6.5
|
COC(=O)CCl
| -4
|
CCCC=O
| -3.18
|
CCc1ccccc1
| -0.79
|
C(=C(Cl)Cl)Cl
| -0.44
|
CCN(CC)CC
| -3.22
|
c1cc2c(cc1Cl)Oc3c(c(c(c(c3Cl)Cl)Cl)Cl)O2
| -4.15
|
Cc1ccncc1C
| -5.22
|
c1(=O)[nH]c(=O)[nH]c(=O)[nH]1
| -18.06
|
c1ccc(cc1)C=O
| -4.02
|
c1ccnc(c1)Cl
| -4.39
|
C=CCCl
| -0.57
|
Cc1ccc(cc1)C(=O)C
| -4.7
|
Cc1ccccc1Cl
| -1.14
|
CC(=O)N1CCCC1
| -9.8
|
CC(OC)(OC)OC
| -4.42
|
CN(C)c1ccccc1
| -3.45
|
CC(C)OC
| -2.01
|
c12c(c(c(c(c1Cl)Cl)Cl)Cl)Oc3c(c(c(c(c3Cl)Cl)Cl)Cl)O2
| -4.53
|
c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl
| -2.98
|
C(C(Cl)Cl)Cl
| -1.99
|
CC(C)OC(=O)C
| -2.64
|
c1ccccc1
| -0.9
|
c1cc(c(c(c1)Cl)Cl)Cl
| -1.24
|
CCOP(=S)(OCC)SCSc1ccc(cc1)Cl
| -6.5
|
COP(=S)(OC)SCn1c(=O)c2ccccc2nn1
| -10.03
|
c1ccc2c(c1)Oc3c(cc(c(c3O2)Cl)Cl)Cl
| -4.05
|
CCCCC=C
| 1.58
|
S
| -0.7
|
CCOCC
| -1.59
|
CCNc1nc(nc(n1)SC)NC(C)C
| -7.65
|
CCCCCCOC(=O)C
| -2.26
|
C1CCC(=O)C1
| -4.7
|
CCCCC(=O)O
| -6.16
|
CCBr
| -0.74
|
Cc1ccc2cc(ccc2c1)C
| -2.63
|
CCCCCCO
| -4.4
|
c1ccc(cc1)c2ccccc2Cl
| -2.69
|
CC1=CCCCC1
| 0.67
|
CCCCCCO[N+](=O)[O-]
| -1.66
|
CCc1ccc(cc1)O
| -6.13
|
CCCOCCO
| -6.4
|
c1ccc(cc1)OC=O
| -3.82
|
c1c(c(=O)[nH]c(=O)[nH]1)I
| -18.72
|
C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
| -20.52
|
C(F)(F)(F)Br
| 1.79
|
CCCCO
| -4.72
|
c1ccc(cc1)F
| -0.8
|
CCOC(=O)C
| -2.94
|
CC(C)COC(=O)C(C)C
| -1.69
|
CC(C)(C)OC
| -2.21
|
CCC(=O)CC
| -3.41
|
c1ccc2ccccc2c1
| -2.4
|
c1cc(c(c(c1c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl
| -4.4
|
CC(=O)Oc1ccccc1C(=O)O
| -9.94
|
CC(=O)C(C)(C)C
| -3.11
|
COS(=O)(=O)C
| -4.87
|
CCc1ccncc1
| -4.73
|
CC(C)NC(C)C
| -3.22
|
c1cc2c(cc1Cl)Oc3ccc(cc3O2)Cl
| -3.67
|
CCCCCCCN
| -3.79
|
CC1CCCC1
| 1.59
|
CCC
| 2
|
C[C@H]1CCCO1
| -3.3
|
CNC(=O)Oc1cccc2c1cccc2
| -9.45
|
c1cc(cc(c1)O)C=O
| -9.52
|
c1ccc2cc3ccccc3cc2c1
| -3.95
|
C(Cl)Cl
| -1.31
|
CC(C)(C)C(=O)OC
| -2.4
|
C([N+](=O)[O-])(Cl)(Cl)Cl
| -1.45
|
C1CC[S+2](C1)([O-])[O-]
| -8.61
|
Cc1cccc(c1)O
| -5.49
|
c1ccc2c(c1)C(=O)c3c(ccc(c3C2=O)O)N
| -9.53
|
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