smiles
stringlengths 11
172
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int64 8
77
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| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC(=C(C)C=C3)N4CCOCC4)=O
|
302D77E4CB877E64_F5DCBFC5F4AC81EE_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@@H]3C[C@H]3C(C)(C)C)=O
|
EE63A7F1105FADF7_7141A4C5F137605A_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)[C@]34COC[C@H]3C[S](=O)(=O)C4
|
78DE2818288F688A_44617EAC8BCD46D9_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CC4=C3C=C(C)C=C4)=O
|
618E90A2755DC966_DAECB917E3922871_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@@]3(C[C@H]3C)C(=O)O)=O
|
E69F7E7BCF5C2307_886E99CBAAF7D99F_6038_DP
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C=CC3=CC4=C(C=C3)[NH]C=C4
|
BE4AA0A0CBC7412F_54336A64A5C0FD0C_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C=CC3CCCNC3)=O
|
6983C1153710244D_E33F05B5842737DF_6038_DP
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C)ON)=O
|
931351980F240CB9_3C7A0ECE200AE90E_6038_DP
| 22
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=NC=C4CCCC[N]34
|
2211D72E0F3B26C9_8B1DF9D01FCF3AD2_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4(N3CCN(C)CC3)COCC4)=O
|
137C8CBF8A70F5C8_0E3AA620359C3770_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3=C(N=C(S3)C4=CC=CS4)C5=CC=CC=C5
|
3828D136BD305676_B8186D5B71FA550F_6038_UN
| 35
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=CC3=C(C(=C(C=C3)Br)F)[NH]4
|
69C6CF4CD17181A4_F6A2BE426F54C45E_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=N[N](C=C3C)C4CCOCC4)=O
|
6F4DC4AF1F7D3E4D_F2CF289643CE5428_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC3=COC4=C3C=CC(=C4C)OC)=O
|
7D0877B23D6F3992_517536F275C238B4_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=C3C=CC=CC3=NN=C4
|
B231AB5C9D0E68BA_DC4955D0DC054F88_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C[N](N=C3)CC4CC4
|
B10EE02F0FA50F9E_929D2FA9551F468C_6038_UN
| 27
|
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