smiles
stringlengths 11
172
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stringlengths 41
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int64 8
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838AA65D02F8D23C_748952DD096FB874_6038_DP
| 23 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3(OC)C[S](=O)(=O)C3)=O
|
7E804C933F9ADB94_911A49A9139B5DAA_6038_UN
| 26 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C)[N](C4=C3C=CC=C4)CC5=CC=CC=C5)=O
|
D3FF9433F214C49A_52DD6D653BE1DAD7_6038_UN
| 35 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C4=CC3=C(C=CC(=C3F)Br)[NH]4
|
9F60283F64BDDC80_746D54D62CB5E60A_6038_UN
| 29 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@]34CCOC[C@H]3CNC4)=O
|
6B0DA40483595044_40E7F38417F8C664_6038_DP
| 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C(CC(C)C)=C)=O
|
7DC68D0A71754BD2_6F08825A13C647F4_6038_UN
| 24 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3CC34CCC(=O)CC4
|
4E775FEC1FB2E20C_C5E138DCCB4B04E7_6038_UN
| 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3CCCN3C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6
|
1D7377BCBE1EA009_A8C95CEB8F069539_6038_UN
| 41 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)CC3CCCCN3C(=O)OCC5C4=C(C=CC=C4)C6=C5C=CC=C6
|
CD41040408BF1CBB_DA81B9D6EE425CA7_6038_UN
| 42 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=CC4=C(C=C3)CN(CC4)C(=O)OCC6C5=C(C=CC=C5)C7=C6C=CC=C7
|
E785C0B1D9BA52CD_C200CB885D87DFE2_6038_UN
| 45 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3C4=C(OCCN3)C=CC=C4)=O
|
B8342D8AA2AFB39A_CE356B78392F17DA_6038_DP
| 29 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C3=C(C=CC(=C3)OC)C4=C(C=CC=C4)C)=O
|
B5DCACA4AABBE89F_5233CAEFEE21CE35_6038_UN
| 33 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(=O)C3=N[NH]C4=C3C=CC=N4
|
34BE27C052906D33_D062A74BB6815ECB_6038_UN
| 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C=CC3=NC=C[N]3CC)=O
|
9459227E7400E0C7_547771089B1D050B_6038_UN
| 27 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C([C@@H]3C[C@H]3C4=CC=C(N(C)C)C=C4)=O
|
6F8692C5CA7E6D8B_C81D7A7D966A0645_6038_UN
| 30 |
O([C@@H]1CCCC[C@H]1C2=CC(=C(C(=C2)F)F)F)C(C=CC3=CN=C(OC)N=C3)=O
|
8A09F07B65D2152E_C5B44A125CC42462_6038_UN
| 28 |
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