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71
| label
float64 -25.47
3.43
|
|---|---|
CN(C)C(=O)c1ccc(cc1)OC
| -11.01
|
CS(=O)(=O)Cl
| -4.87
|
CCCCCCCO
| -4.21
|
Cc1cc(cc(c1)O)C
| -6.27
|
CC(C)C(C)C
| 2.34
|
CCCC(C)(C)O
| -3.92
|
CC[C@H](C)O
| -4.62
|
C(Br)Br
| -1.96
|
CC[C@H](C(C)C)O
| -3.88
|
CCc1ccccn1
| -4.33
|
CCCCC(=O)OCC
| -2.49
|
CC(=CCC/C(=C\CO)/C)C
| -4.78
|
c1cc(ccc1O)Br
| -5.85
|
CCCC(C)(C)C
| 2.88
|
CC(=O)OCCOC(=O)C
| -6.34
|
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC
| -6.1
|
C1CCCC(CC1)O
| -5.48
|
COC(=O)C1CC1
| -4.1
|
c1ccc(cc1)C#N
| -4.1
|
CCCCC#N
| -3.52
|
CC(C)(C)O
| -4.47
|
CC(C)C(=O)C(C)C
| -2.74
|
CCC=O
| -3.43
|
CN(C)C=O
| -7.81
|
Cc1ccc(cc1)C
| -0.8
|
C=CCC=C
| 0.93
|
Cc1cccc(c1C)Nc2ccccc2C(=O)O
| -6.78
|
CN(C)C(=O)c1ccccc1
| -9.29
|
CCNCC
| -4.07
|
CC(C)(C)c1ccc(cc1)O
| -5.91
|
CC(C)CCOC=O
| -2.13
|
CCCCCCCCCCO
| -3.64
|
CCC(=O)OCC
| -2.68
|
CC(=O)NC
| -10
|
CCCCCCCC=C
| 2.06
|
c1ccc2cc(ccc2c1)O
| -8.11
|
c1cc(c(cc1Cl)Cl)Cl
| -1.12
|
C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O
| -23.62
|
CCCC(=O)OC
| -2.83
|
CCCNCCC
| -3.65
|
c1ccc(cc1)N
| -5.49
|
C(F)(F)(F)F
| 3.12
|
c1ccc(c(c1)O)I
| -6.2
|
COc1cccc(c1O)OC
| -6.96
|
CCC#C
| -0.16
|
c1ccc(cc1)C(F)(F)F
| -0.25
|
Cc1ccccn1
| -4.63
|
c1ccc2c(c1)Oc3cc(c(cc3O2)Cl)Cl
| -3.56
|
N
| -4.29
|
c1ccc(c(c1)C(F)(F)F)C(F)(F)F
| 1.07
|
COC(=O)c1ccc(cc1)O
| -9.51
|
CCCCCc1ccccc1
| -0.23
|
CC(F)F
| -0.11
|
c1ccc(cc1)n2c(=O)c(c(cn2)N)Cl
| -16.43
|
CCCCCC(=O)N
| -9.31
|
CC(C)CO[N+](=O)[O-]
| -1.88
|
c1ccc2c(c1)C(=O)c3cccc(c3C2=O)NCCO
| -14.21
|
C(CO[N+](=O)[O-])O
| -8.18
|
CN1CCNCC1
| -7.77
|
CCN
| -4.5
|
C1C=CC=CC=C1
| -0.99
|
CC(Cl)Cl
| -0.84
|
COc1cccc(c1)O
| -7.66
|
c1cc2cccc3c2c(c1)CC3
| -3.15
|
CCCCCCCCBr
| 0.52
|
c1ccc(cc1)CO
| -6.62
|
c1c(c(=O)[nH]c(=O)[nH]1)Br
| -18.17
|
CCCC
| 2.1
|
CCl
| -0.55
|
c1cnc[nH]1
| -9.63
|
c1cc2c(cc1Cl)Oc3cc(c(c(c3O2)Cl)Cl)Cl
| -3.84
|
CC[C@H](C)n1c(=O)c(c([nH]c1=O)C)Br
| -9.73
|
C(I)I
| -2.49
|
CCCN(CCC)C(=O)SCCC
| -4.13
|
C[N+](=O)[O-]
| -4.02
|
CCOC
| -2.1
|
CC(C)C
| 2.3
|
CCCCl
| -0.33
|
CCCSCCC
| -1.28
|
CCC[C@H](CC)O
| -4.06
|
CC#N
| -3.88
|
CN(CC(F)(F)F)c1ccccc1
| -1.92
|
[C@@H](C(F)(F)F)(OC(F)F)Cl
| 0.1
|
Cc1cccc(c1)C
| -0.83
|
CC(=O)OC
| -3.13
|
CCOC(=O)c1ccccc1
| -3.64
|
CCCCCC(=O)C
| -3.04
|
c1ccc(cc1)CBr
| -2.38
|
CCCCCC(=O)OCC
| -2.23
|
CCCOC
| -1.66
|
CN1CCOCC1
| -6.32
|
c1cc(cc(c1)O)C#N
| -9.65
|
c1cc(c(cc1c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl
| -4.38
|
CCCc1ccccc1
| -0.53
|
Cn1cnc2c1c(=O)n(c(=O)n2C)C
| -12.64
|
CNC
| -4.29
|
c1cc(ccc1O)Cl
| -7.03
|
C1CCNCC1
| -5.11
|
c1ccc2c(c1)ccc3c2cccc3
| -3.88
|
CI
| -0.89
|
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