smiles
stringlengths 11
172
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int64 8
77
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| 25
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4=CC3=C(C=C(C(C)=O)C=C3)[NH]4)=O
|
2D14C976628CB4D8_6ED8C21C8FF5EAAA_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@@H](C)N(C)C)=O
|
760385E1A6350234_EB8B72072FF62949_6038_UN
| 23
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC=CC4=NON=C34
|
60BCB7C23E96A1A4_A328D795BBB41890_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4(C3=CC=C([S](N)(=O)=O)C=C3)CC4)=O
|
33057926A63E4E72_DA80FAE502632048_6038_UN
| 31
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CC(C)C3=CC=CO3)=O
|
813AB62A92F5ADB2_15FB683231C19945_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=C[NH]C(=N3)C4=CC=NC=C4
|
066B20BFC0788FFC_CABC18C71AC0C21E_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@@H]3O[C@H](C)CN(C3)C)=O
|
D1F9076226138723_3352E29A8DB7F1F7_6038_UN
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=N[N](C(=C3)C)C4CCOCC4)=O
|
DF034F58BEBD49A0_4B9432968E273460_6038_UN
| 30
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3CC(C)(C)OC3(C)C)=O
|
3AF46F629F9779CF_F98F7832B459C914_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(C)N3CCNCC3=O)=O
|
05F2E764C903FCCA_9C60798AB4A8938C_6038_DP
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C4CN(C3=NC=C[N]3C)CC4)=O
|
7B18BD1882CDEAC2_46BFDF57509DB1D1_6038_UN
| 29
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C=CSC3=CC=CC=C3
|
7B9579FEF9C84463_3291070AC0482B43_6038_UN
| 27
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(CNC3CCNCC3)=O
|
6F76A3791501D985_CF5F4C5260A55CF6_6038_DP
| 26
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=COC=C3C)=O
|
C1E55587DD4B8E61_8890809C65393208_6038_UN
| 24
|
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)[C@@H]3[C@H]5CC[C@]4(COC(=O)[C@H]34)O5
|
D1BC0656D89D2816_D87047120494BB3A_6038_UN
| 29
|
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