product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"3A95FBC7ADD5BDC3_40D7B3F8C1EF573F_6031_UN" | "CN3C(=O)NC=C(C(=O)OCC1(C)CN(C1)C2CC2)C3=O" | 21 | "E5DED913349C8B61" |
"E6F2885CE0583B81_DDA147032AAAF5CA_6031_DP" | "CN1C(=O)NC=C(C(=O)OCC(C(OC)=O)CNC)C1=O" | 21 | "E5DED913349C8B61" |
"038922F7533F134F_39CC755D106FD599_6031_UN" | "CN2C(=O)NC=C(C(=O)OCCN1C(=O)CNC1=O)C2=O" | 21 | "E5DED913349C8B61" |
"048977302180A244_6BD170261C7494B2_6031_UN" | "CN2C(=O)NC=C(C(=O)OCC(C)(C)[N]1C=CN=C1)C2=O" | 21 | "E5DED913349C8B61" |
"52D2242EBBA22D77_D0A09F1BFF6B7843_6031_UN" | "CN2C(=O)NC=C(C(=O)OCC1=C(C)C=C(C=C1)Cl)C2=O" | 21 | "E5DED913349C8B61" |
"F6DCCAFAE16974DC_B9652F4554BF3664_6031_UN" | "CN2C(=O)NC=C(C(=O)OCCNC1=NC=CN=C1)C2=O" | 21 | "E5DED913349C8B61" |
"F8E9C6AF5A9FEED8_1EF1055EB3833F46_6031_UN" | "CN2C(=O)NC=C(C(=O)OCC1(C(OC)=O)COC1)C2=O" | 21 | "E5DED913349C8B61" |
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