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=C(C=C(C(=C3)Cl)Br)F
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| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=C([N](CC3=CC=C(OC)C=C3)N=N4)C)=O
|
A30B4237D60908AE_545928159CC71794_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3(C(OCC)=O)CCCC3)=O
|
7AB30B79B388676D_7E0202332B8DA249_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3=C(C=C(C=C3)F)[N](=O)=O
|
7D8CBA99D0254C11_D3884F9F88D77B68_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3(C(O)=O)CCCCC3)=O
|
D0C84BF488BB6409_1C4B98818816A758_6038_DP
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=COC(=C3)SC)=O
|
00D6685B597C163A_A61F9F1BFA24D149_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)N=C(S3)C4CCNCC4)=O
|
48D580F93DD57689_3ED072F219837B87_6038_DP
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C[N]4C(=N3)CCC4
|
8C53C7B9200AA817_E1DF626120E84A73_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)[C@H]3[C@@H](C3)C4=CC=NC=C4
|
2ECFA8DD5B3D3101_BA58A1C1032402DD_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=CC3=C(C=C(OC)C=C3)C=C4)=O
|
7714232E3FE99C6E_A9964F610B4C4365_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(CC)C#N)=O
|
982505AAE1A3D003_CA78E696CF1BECA6_6038_UN
| 23
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C(C)(C)C)OC=N3)=O
|
7637C8FC3C18FEF5_D3DAF7B0528A54C1_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C=C
|
E345E7F45735929A_5A015AA4C50C0881_6038_UN
| 20
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3(OC)CC3)=O
|
F5CE4AD13FDD5D49_DC2C18DE5AA8956F_6038_UN
| 23
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3(CC(O)=O)CCC3)=O
|
F8730BFAF8E8F0BE_CA03168626647CA4_6038_DP
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=NOC(=C3)COC4=CC=CC=C4
|
9826D5FAA62C79D3_908353E3D503676B_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C(ON=C3C4=CC=CC=C4)C5CC5
|
C66E84702C863002_492A026A0FDEADA3_6038_UN
| 32
|
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