Molecule name stringlengths 12 12 | SMILES stringlengths 33 149 | pIC50 (SARS-CoV-2 Mpro) float64 4 8.73 |
|---|---|---|
ASAP-0032560 | O=C(CC1=CN=CC2=CC=CC=C12)N1CCCC[C@H]1[C@H]1CCCO1 | 4.02 |
ASAP-0032561 | O=C(CC1=CN=CC2=CC=CC=C12)N1CCCC[C@H]1[C@H]1CCCO1 | 4.2 |
ASAP-0032572 | O=C(CC1=CN=CC2=CC=CC=C12)N1CCC[C@H]2CCCC[C@@H]21 | 5.18 |
ASAP-0032604 | COC1=CC=CC=C1[C@H]1C[C@H](C)CCN1C(=O)CC1=CN=CC2=CC=CC=C12 | 5.59 |
ASAP-0032605 | COC1=CC=CC=C1[C@H]1C[C@H](C)CCN1C(=O)CC1=CN=CC2=CC=CC=C12 | 5.77 |
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