smiles,cv
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CN1C2C3C4C3C2(O)C14,29.684
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COC1COC11CCC1,33.565
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CCC(C)(OC=N)C=O,37.51
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CC1CC(C)(O)CCO1,37.657
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CC(O)C(C)CCCO,42.73
CN1C2C3C1C2N3C,28.073
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CC12CC1(C)C1CC1C2,35.24
Cc1cc([nH]c1O)OC,35.394
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CC1OC2C(C#C)C12C,35.014
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CCNc1ncnnn1,29.227
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CC1C2C3CC1(C#C)N23,31.456
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CCCOC(CC)C=O,39.473
CCOC12CC1C1CC21,33.94
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CC1CC11OC2CCC12,32.891
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CC1CC23CC4C2C1C34,29.804
CCNC(=O)C1(CC1)C,37.834
COC(C)C(=NO)C#C,37.263
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CC1(C)C2CC2CC1O,36.799
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CCC1CC=CC2CC12,34.529
CC(=O)OC(C)(C)C,36.077
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CC12C3N=C4NC1C4C23,27.636
CC1COC(C)C11CO1,34.335
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CCC1(CCO1)CC,34.331
CC(C#C)N1C(C)C1C,39.59
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CC12CC(O)C1C2CO,35.7
COCC1CC2(CO2)C1,34.384
N=C1OC2CN3C2C13,22.304
CC(O)C1=C(O)NN=C1,31.895
CC12CC1OC=NC2,27.331
CCC(C)CN1CC1,35.46
CC1CC(C#N)C11CO1,32.185
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C#CC12CC1CC1CN21,30.839
CC1C2N=COCC12C,32.956
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CN1C2C3CCOC2C13,30.062
COC(C)C(O)CC=O,38.391
CC1(C(=O)CCO1)C,30.884
CC(=O)NC(=NC)N,32.686
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c1c2c(no1)OCO2,20.563
CC12OC3C4C1C4C23C,30.903
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CC(CC#N)(C#C)C#N,33.885
COC(C)CC(C)C#C,41.14
CCCC12CC(C1)C2O,36.253
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C1OC2COC1C1OC21,26.118
CC1OC1C(C)(C)CO,40.278
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CC(OC=N)C(F)(F)F,32.021
CC12OCCC1C1OC21,30.245
CN=CNC(=O)N1CC1,33.036
CC(C=O)(C=O)C#C,30.916
CC1OCC2(CO)OC12,32.835
COCCC(O)COC,39.233
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CC(C#N)C1CCCC1,34.934
CCC#CC1OCC1=O,32.734
CCCC1CCC1,30.042
COC1CCC(=O)C=C1,32.266
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CCC1(CO)C2COC12,35.178
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CC1(CC1C=O)OC=O,33.146
CCC(CNC=O)OC,38.265
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CC1C2NC2C1(C)C=O,34.436
COCC1C(C)C1(C)C,41.404
CC1(CCO1)C1CO1,29.501
CCCC#N,19.863
CC1(C)COC1(C)C#C,38.48
C1CC1C1C2C3CC3N12,30.955
c12c(nn[nH]1)nn[nH]2,19.907
CC12CC3COCC1N23,30.442
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CCC1OCC1CO,32.551
CC(=O)NC(CN)C#N,35.957
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CC(O)C1OCC(C)=C1,36.347
CC(=O)C(=N)N(C)C,33.522
NC(C#N)C1COCO1,30.967
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CC12C3C4N3C1C24C#C,30.18
CC(O)C1(CC1)C(C)O,40.528
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CC1CCC=CCO1,30.607
OC1C(=N)NC11COC1,31.391
C1OC2C3C4CC(C34)C12,26.646
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CC(=O)C1CC1(C)C#N,34.588
CC1CCCC(C)(C)O1,39.007
CN1C2COC(=O)CC12,30.497
CC12CC(O1)C2C(N)=O,32.545
CCC1OC2CC1C2O,33.504
COC(=O)C#CC#N,26.29
C1CC(=O)C=C1N,24.681
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Cc1[nH]nc(n1)CO,27.493
CC#CC1=CNC(=N)O1,31.221
CC1OC(CO)C1C,32.966
C1CC11C2C3CC1CN23,28.445
CN=C1N=NON=C1F,27.613
CC1(C)C2C3CN2C13,29.024
c1c(n(nn1)C2CC2)O,29.187
OCC12CC(C1)OC2=N,29.796
CNc1ccc[nH]1,25.007
Cc1c(nc(o1)C)NC,34.671
CC1(C)CC2C(C#C)N12,35.587
COC1C2C3CC1OC23,28.941
CC1C2CC(N12)C(N)=O,33.173
OCC1(CC2CC2)CO1,35.154
CCC(O)C1CCC1,34.417
CC(C)(C)C1CCOC1,38.702
CC(=N)OC1(CC1)C#C,35.342
c1c(cncc1N)C#N,28.23
C1COCCOCCO1,32.637
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CC1C2(C)CC1(O)C2O,37.439
CC1NC(C#C)C1=NO,34.562
CC(COCC#C)C#N,35.714
CCC(=O)C1OCC1O,34.131
Cc1cc(cn1C)C=O,32.586
CC12C3CN1CC2C3O,31.831
c1cncc(c1F)C=O,25.73
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C(CC(=O)CCO)CO,38.567
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CC(C)C1OC(C)C1O,38.964
C1CN1CCOC(=O)N,34.286
COCCCCC#C,34.821
CC1=CC2CC1C2(C)O,34.618
CC1C2C(CN12)C=O,28.218
C1CNCC(=O)CN1,28.817
CC1(COC1C#N)C=O,31.427
CC1(O)C(=N)NCC1=O,33.26
OC12C=CC3CC1CC23,29.154
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OCC1C2CCC1C2O,33.774
OC1CC2C3CCC12O3,30.631
OC(C#N)C12CC1CC2,32.122
NC(=O)CN1C2CC1C2,31.916
CN1CC=CCC1C#N,32.133
OCC1(CC(=O)N1)C#C,33.445
CC12CN3C(CO1)C23,26.131
C1CC11CC2CCC2=C1,31.612
OC12CC1CC=CC=C2,31.948
OC1C2OC1C2CC#N,29.474
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CNc1cn(cn1)C=O,30.316
OCC12OC(C=C1)C=C2,29.574
CC1CCCC=C1C#N,33.015
CCC1CC2OC1C2C,34.728
CC1CCN(C)C(=O)O1,33.458
OC1(C2CN2)C2CCC12,32.623
CC1=NC(CC#N)CO1,30.926
OC1CC2CC(=O)C2C1,31.056
OC1COCC2COC12,30.369
CC1CC(C)(CC=O)O1,36.356
CCC12C(C)C1CC2C,39.06
CC1(CO)CCC=C1,32.219
CC1(COC=NC1)C#N,30.708
CN1CC1CC=O,27.013
CC1CC(C1)C(=O)CO,35.559
CCOC1(C)C2COC12,35.059
c1c2n(cn1)CC=C2,22.074
CCC1NC1C(O)C#N,35.435