smiles
stringlengths 11
172
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41
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int64 8
77
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| 35
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CN=CC(=C3)OCCOC)=O
|
8B9182AD316900B7_32BDA5907369B47C_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CSC(=N3)C5=CC4=C(N(C)CC4)C=C5)=O
|
E34A1B84F8FB1AB5_0443160785C66423_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCCC(N4CCN([S](C3=CC=C(C(C)C)C=C3)(=O)=O)CC4)=O)=O
|
DC59044CB9BB19BD_7938810913CA40DA_6038_UN
| 41
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(OCCCC)C=C(C=C3)OC)=O
|
EFCBAAFD08EA0E7F_5C7F035525041FE0_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(CCSC)N[S](=O)(=O)C3=CC=C(C=C3)C)=O
|
25F510CBD577CB37_5B14CC0AA6914C89_6038_UN
| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CN[S](C3=CC=C(C)C=C3)(=O)=O)=O
|
F4143AADAA99B8F5_82F25EBDB9CD5690_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C(C(=CC=C3)F)C#N
|
B19ADA7DFD209C43_087924E96BDEBA0E_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(NC)C3=C[N](N=C3)C)=O
|
76179C5640728B51_030BA9209E141172_6038_DP
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=NC=CC(=C3)N(CCOC)C)=O
|
5DC79C9205969911_15E0C76E3237F23C_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCCC3=C(C=CC(=C3)C)C)=O
|
387CBB43302521CB_33B4D4E43046A355_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC=C(C=C3)C4=NC=N[NH]4
|
83C722E426037E77_2873009129B372DD_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(CC)[N](N=C3)C4=C(C=CC=C4)OC)=O
|
26A14BC1CA3BD70C_6BE7B6383CA66096_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@H](C4=CC3=C(C=C(OC)C=C3)C=C4)C)=O
|
45629F8B45AB4EA0_BC17A8F1B12CC749_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C(=O)C3=C(C=CC(=C3)F)F
|
E26093EA95B3DC1C_052BB4910A860A47_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=COC(=N3)C4CCCCC4
|
09CF2E51B3E86BAC_63703642AF7B7783_6038_UN
| 29
|
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