SMILES
stringlengths 4
164
| Density
float64 0.74
1.91
|
|---|---|
*C(C*)CCCCCCCC
| 0.830809
|
*C(C*)CCCCCCCCC
| 0.829999
|
*C(C*)CCCCCCCCCC
| 0.83154
|
*C(C*)CCCCCCCCCCC
| 0.833533
|
*C(C*)CCCCCCCCCCCC
| 0.833252
|
*C(C*)CCCCCCCCCCCCC
| 0.833225
|
*C(C*)CCCCCCCCCCCCCC
| 0.832143
|
*C(C*)CCCCCCCCCCCCCCCC
| 0.833313
|
*C(C*)CCCCCCCCCCCCCCCCCCCC
| 0.834006
|
*C(C*)CCCCCCCCCO
| 0.905412
|
*C(C*)CCCN(C(C)C)C(C)C
| 0.873653
|
*C(C*)CCCN(CC(C)C)CC(C)C
| 0.860542
|
*C(C*)CCN(C(C)C)C(C)C
| 0.876082
|
*C(C*)CCc1c(cccc1)C
| 0.978579
|
*C(C*)CCc1ccc(cc1)C
| 0.970092
|
*C(C*)CCc1ccccc1
| 1.000097
|
*C(C*)CNc1c(cc(cc1)[N+](=O)[O-])C
| 1.182213
|
*C(C*)CNc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]
| 1.348506
|
*C(C*)CNc1cc(c(cc1)[N+](=O)[O-])C(F)(F)F
| 1.382049
|
*C(C*)CNc1ccc(cc1)[N+](=O)[O-]
| 1.230823
|
*C(C*)CNc1ncc(cc1)[N+](=O)[O-]
| 1.274317
|
*C(C*)Cc1c(ccc(c1)C)C
| 0.944053
|
*C(C*)Cc1c(cccc1)C
| 0.972209
|
*C(C*)Cc1cc(c(cc1)C)C
| 0.952413
|
*C(C*)Cc1cc(cc(c1)C)C
| 0.955003
|
*C(C*)Cc1cc(ccc1)C
| 0.976779
|
*C(C*)Cc1ccc(cc1)C
| 0.968404
|
*C(C*)Cc1ccccc1
| 1.008541
|
*C(C*)Cl
| 1.332667
|
*C(C*)N1C(=O)CCC1
| 1.094287
|
*C(C*)N1CNCC1
| 1.079195
|
*C(C*)N1Nc2c(C1)cccc2
| 1.11497
|
*C(C*)NC(=O)OC(C)(C)C
| 1.015667
|
*C(C*)O
| 1.174364
|
*C(C*)OC
| 1.019931
|
*C(C*)OC(=O)C
| 1.109865
|
*C(C*)OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
| 1.802613
|
*C(C*)OC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
| 1.765573
|
*C(C*)OC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
| 1.721207
|
*C(C*)OC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
| 1.6794
|
*C(C*)OC(=O)C(C(C(C)C)C)(C)C
| 0.928293
|
*C(C*)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
| 1.641935
|
*C(C*)OC(=O)C(C(C)C)(C(C)C)C
| 0.922755
|
*C(C*)OC(=O)C(C(CC)(C)C)(C)C
| 0.923294
|
*C(C*)OC(=O)C(C(F)(F)F)(F)F
| 1.581055
|
*C(C*)OC(=O)C(CC(C)(C)C)(C)C
| 0.930642
|
*C(C*)OC(=O)C(CCC)(C)C
| 0.945731
|
*C(C*)OC(=O)C(F)(F)F
| 1.491837
|
*C(C*)OC(=O)C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)F
| 1.672175
|
*C(C*)OC(=O)C1(CCCCC1)C
| 0.984241
|
*C(C*)OC(=O)C1CCCC1
| 1.053718
|
*C(C*)OC(=O)C1CCCCC1
| 1.019055
|
*C(C*)OC(=O)CC
| 1.060167
|
*C(C*)OC(=O)CC(c1ccccc1)(C)C
| 1.06651
|
*C(C*)OC(=O)CC1CCCC1
| 1.046233
|
*C(C*)OC(=O)CC1CCCCC1
| 1.017497
|
*C(C*)OC(=O)CCCC(=O)c1ccccc1
| 1.150898
|
*C(C*)OC(=O)CCCC1CCCCC1
| 0.995241
|
*C(C*)OC(=O)CCCCC
| 0.977137
|
*C(C*)OC(=O)CCCCCCC
| 0.953536
|
*C(C*)OC(=O)CCCCCCCCC
| 0.935535
|
*C(C*)OC(=O)CCCCCCCCCCC
| 0.921917
|
*C(C*)OC(=O)CCl
| 1.372301
|
*C(C*)OC(=O)c1c(cccc1)C
| 1.128728
|
*C(C*)OC(=O)c1c(cccc1)Cl
| 1.29306
|
*C(C*)OC(=O)c1c(cccc1)OC
| 1.184684
|
*C(C*)OC(=O)c1c(cccc1)OC(=O)C
| 1.204682
|
*C(C*)OC(=O)c1cc(ccc1)Br
| 1.546603
|
*C(C*)OC(=O)c1cc(ccc1)C
| 1.110951
|
*C(C*)OC(=O)c1cc(ccc1)Cl
| 1.263059
|
*C(C*)OC(=O)c1cc(ccc1)OC
| 1.172022
|
*C(C*)OC(=O)c1cc(ccc1)[N+](=O)[O-]
| 1.282622
|
*C(C*)OC(=O)c1ccc(cc1)Br
| 1.536351
|
*C(C*)OC(=O)c1ccc(cc1)C
| 1.099097
|
*C(C*)OC(=O)c1ccc(cc1)C#N
| 1.163857
|
*C(C*)OC(=O)c1ccc(cc1)C(C)(C)C
| 1.021532
|
*C(C*)OC(=O)c1ccc(cc1)C(C)C
| 1.047681
|
*C(C*)OC(=O)c1ccc(cc1)CC
| 1.071863
|
*C(C*)OC(=O)c1ccc(cc1)Cl
| 1.26634
|
*C(C*)OC(=O)c1ccc(cc1)OC
| 1.170671
|
*C(C*)OC(=O)c1ccc(cc1)OC(=O)C
| 1.202323
|
*C(C*)OC(=O)c1ccc(cc1)OC(=O)CCC
| 1.143061
|
*C(C*)OC(=O)c1ccc(cc1)OCC
| 1.124221
|
*C(C*)OC(=O)c1ccccc1
| 1.143985
|
*C(C*)OC(=O)c1ccncc1
| 1.195061
|
*C(C*)OC(=O)c1cnccc1
| 1.21693
|
*C(C*)OC(C(F)(F)F)(C(F)(F)F)F
| 1.622288
|
*C(C*)OC(C)(C)C
| 0.899335
|
*C(C*)OC(C)C
| 0.923613
|
*C(C*)OC(CC)C
| 0.905143
|
*C(C*)OC1CCCCC1
| 0.948634
|
*C(C*)OC=O
| 1.251158
|
*C(C*)OCC
| 0.958386
|
*C(C*)OCC(C)(C)C
| 0.874621
|
*C(C*)OCC(CC(C)C)(C)C
| 0.892796
|
*C(C*)OCC(CC)(C)C
| 0.882731
|
*C(C*)OCC(CCCC)CC
| 0.883883
|
*C(C*)OCC(F)(F)F
| 1.388732
|
*C(C*)OCCC
| 0.936311
|
*C(C*)OCCCCCCCCCCCC
| 0.876158
|
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