smiles
stringlengths 11
172
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int64 8
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O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=C[NH]C4=CC=CC(=C34)C)=O
|
FCE23B10D0F4D2FC_17E7E49B92AFD1DE_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=C(C3=C(N=C(COC)NC3=O)S4)C)=O
|
C2F75782F0A5BEDB_2B6830F1471DFD8C_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(C=C3)OCC(=O)OC)OCC)=O
|
4711A52177040EC9_FDC403F5BEAF7A72_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CSC(=N3)CC4=CC=C(C=C4)F
|
E6E59020B85BD2F4_CB3A60ECF4B9EDD5_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CSC4=NN=C(C3=CC=CS3)[N]4C5CC5
|
8AC1E91FCCD4C032_E4D2A406D840604F_6038_UN
| 33
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C5=C(CN3C4=C(CC3C)C=CC=C4)C=CO5)=O
|
B47F71EDB554167B_CA911B5DB892BFEA_6038_UN
| 34
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CCCCN3C(=O)C=C
|
792DB5A837547726_C8C5B51558FDF233_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(OC)(C)C3=CC=CC=C3)=O
|
088DB086A49BD331_D830A148BDB5DC26_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC(C(C)C)C3=CC=CC=C3)=O
|
D024EF537D1706A9_695C054643D12EBE_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C)C3=CC=C(C=C3)[S](=O)(=O)C)=O
|
40DC1146DA92DD69_775263C5AF02DD53_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=CC=C([S](N)(=O)=O)C=C3)=O
|
282B5C4E30C723AD_D2F2EDA32B839A35_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=CN=C(CC3=CC=C(C=C3)F)S4
|
64E6AAC4DEF95D0D_567C22A2F665DE92_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CN[S](=O)(=O)C3=CC4=C(C=C3)COC4
|
DFDB16E2497C28DD_122A2032D29BC7D3_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CN=C(S3)C4=CC=CS4
|
A39226E36165994D_1891CED28583D9B6_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=N[N](C(=C3)C(N)=O)C4=CC=CC=C4)=O
|
0DAE3C052B1C745A_3F85CF4BBD580886_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C[N]4C=C3C=CC=CC3=N4
|
CC8C576DEE7258DE_9450ECE86708E668_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CN=C(S3)C4=CC5=C(C=C4)OCO5
|
800499F81FD01656_12E638A2ABAAD23E_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCCCC3=CC=C(C(C)(C)C)C=C3)=O
|
27C5D5D4AF9E6878_819B0903F75E034C_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=C3N=C([NH]C3=CC=C4)C5=CC=CC=C5
|
D0B67EE5C23B1E1C_A762102C552C7538_6038_UN
| 33
|
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