smiles
stringlengths 11
172
| product_name
stringlengths 41
41
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int64 8
77
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3=COC4=C3C=CC(=C4Cl)Cl
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C(C(=CC=C3F)I)Cl
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D452EB7FC53C1699_04D92FEAD0F7C3DE_6038_UN
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9646684C0EBEBE37_4041D4A8DE48AA18_6038_UN
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B05ED36DDEE2DFF4_B278BEC2AA90A790_6038_DP
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3D4CC5DB23507CE0_3EB2C68C8D52D429_6038_UN
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41534BFB690B5856_E744BB3ED4B272D8_6038_UN
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| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C)C3=CC=C(C=C3)C#N)=O
|
5B671C77B1A2FE51_0DB4357C0DDB40F7_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC=CC(=C3)O)=O
|
4225ED097900526C_CD587BE3F59C5C7A_6038_DP
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCC3OCC(C)(C)C3)=O
|
59B51846816CCE55_EF24E4161561F8B5_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=C(C3CCCN3)[NH]N=N4)=O
|
300C291A9CB6BF91_99A5B2251CEB096C_6038_DP
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCC5=CC=C(OCC3=C(C)OC(=N3)C4=CC=CC=C4)C=C5)=O
|
AB89D7E03005FB5A_6EC8427BC3B167B4_6038_UN
| 40
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C34CC(C(C)(C)C)(C3)C4)=O
|
7F4117AE063A7026_681545EC6CCA3577_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3=C(C=CC=C3)N4CCCC4=O
|
C00D5FF77F07422C_167CE12A27674B62_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C=CC3=CC(=C(C=C3)Cl)Cl
|
067041832B341B1F_48ADCC66F9DFB3DF_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=C(C)N=C(S3)C4CCC4)=O
|
B8B28B7E034AC6B8_6081F4193C0FBBFD_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3=CSC(=N3)C4CC[S](=O)(=O)C4
|
5A3BDF1242F0CA2A_B93AADAF58E5689B_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C(OCC)=O)C(C)C)=O
|
F311EA1D29F3C110_6521BA5CBE18BAD2_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=N[NH]C(=C3)C4=C[NH]C5=C4C=CC=C5
|
4478A346C90788F4_F2C5BC8A2D178310_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(C)C=N3)C)=O
|
F2557CDC3DEBC358_852E10BD0551FEFA_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4CCC3CC3CC4
|
A2C31AB0A38DF16E_BA20FDEDC68A9740_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)C=CC(=C3F)Br)=O
|
61A691F710E0CCF3_8D7C6D9CBC4EBB2E_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(CC)CC3=CC(=CC=C3)C)=O
|
1463A13C5F4994A3_5445184ECFD074B0_6038_UN
| 29
|
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