smiles
stringlengths 11
172
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int64 8
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| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=NC3=C(N=C[N]3C)C=C4)=O
|
E4113194D71A7D88_9EFE44CD70870776_6038_UN
| 28
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C(N=CO3)C4CC4
|
D9FD56EF4CF1035E_E65ECC3AED585C5F_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CCCC(C3=CC=CC(=C3)OC)=O)=O
|
A951BDECF17FCE49_BDFC424321A58D47_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC=C(CCN(C)C)C=C3)=O
|
E5CBA9518AF3D552_027F20A5BB3D11A6_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC=C(CC(C)(C)C)C=C3)=O
|
DC7FBF15F4FFA1F6_46E21CC276952714_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3(CCC(C)C3)C)=O
|
85B0454A66AE8E4A_E749B22AD8F17BBF_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3(CC3)C#N
|
9624D5E39F69791E_BBC10FBE432E8739_6038_UN
| 23
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CCCC#N
|
C95700DC8FEEDE41_3EF86070107FAE2A_6038_UN
| 23
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C)(C)CC=C)=O
|
39DDECEF5C27E003_4AD68709B43D6B0C_6038_UN
| 24
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC(=C[NH]3)F
|
4921DCD2BBF9F371_B8D23A644611B905_6038_UN
| 24
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4(NC3CC3)CCC4)=O
|
CA1A02546C4F584F_CDAF3DB8C68737B9_6038_DP
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C(=CC(=C3F)C)[N](=O)=O)F)=O
|
904646D3DF0B0210_25BE2A8F73F3CFEC_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3C(C)CN(C3)C)=O
|
CC823F5D72C4425B_CEA1DA9569EBA939_6038_UN
| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3(COC)CCOCC3)=O
|
54F06ECB28AAA5D0_38CE30DA215F255D_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=CC=C(C(C)=O)[NH]3)=O
|
D7C9B051D31E525F_B32172D3D2A189FF_6038_UN
| 26
|
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