smiles
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172
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int64 8
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| 24
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C=CC(=C3F)C)F)=O
|
E25D25500FF83121_368B54C13D165008_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCON)=O
|
957932353DAED72D_3852F176BBA78436_6038_UN
| 22
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C([S](CCN(C)C)(=O)=O)C=CC=C3)=O
|
E87478BBE095A952_98E488ED89B69BB7_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC[S](NC)(=O)=O)=O
|
89C8B1B3CCBDA601_F755571B0D05AEFB_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(SCC)C=CC(=C3)[N](=O)=O)=O
|
42CF3DD308D45F65_FE27003AD9C86A5F_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC=C[N]3C(C)CC4=CC=CC=C4)=O
|
9F6832984915C6C8_D8CF14CBB2067F21_6038_UN
| 32
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)[N](N=C3)C4CCOCC4)=O
|
51C5ED8F7869EB83_D02200F36244DD34_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(N=C(N(C)C)S3)C)=O
|
279AAB5DE8DEE631_F8B858D42D3A2EBF_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=NC4=C(C=C3)N=C[NH]4
|
AC1A4A6F4BA38223_1BFC43C2EE767446_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(COC3=CC=C([S](C)(=O)=O)C=C3)=O
|
A3CB30970F7231A5_A65D4BDDD3DDE25B_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C(C3CC3)C4=CC=CC=C4
|
E255E1C49C6A84F5_91F115FC9DC22C90_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(CC)C=NC=C3)=O
|
6C5FCFA58598CFDA_62076B5F6219C533_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@H]3C(C)(C)[S]([C@H]4N3C(C4)=O)(=O)=O)=O
|
1B62A22547EBC605_235E40913B1C9A01_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(N(C)C3CCCC3)(C)C)=O
|
3777035C23656B41_3B0426B98CB90174_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC=CC(=C3)[S](CC)(=O)=O)=O
|
85F1552FC5B0ED94_B7136CBDD07F1B8C_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCC3=CC4=C(C=C3)[NH]C=C4
|
F589702D1549B93F_C478AB2E8A0CDB22_6038_UN
| 29
|
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