product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"61AF228833C76579_41A2072695FB6848_1031_UN" | "CC1=CSC(=N1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "986DF26B4CBA476F" |
"D6A600C1FFB05AB5_071AC9931A82A704_1031_DP" | "NC3(CCC[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)CC3" | 21 | "98817C1C39BB7BBF" |
"E015A28FB44A3285_0752B5A95844A658_1031_UN" | "[N]2(CC(=O)NC1CC1)C3=C(C(=C2C)C(OCC)=O)CCC3" | 21 | "98C900267B7D7AE3" |
"1EAEFEE327EEBED6_A3C07FFA32E72B86_2218_UN" | "CC1(C)OB(OC1(C)C)C2=C(C=C(C=C2)O)C3=N[NH]N=N3" | 21 | "98EBD5DDDDDCEAA2" |
"9A7687795547B98E_44F372DAE85C5372_6016_UN" | "C1(=CC(=CC=C1)C2CCN2)C(=O)C3=CC4=C(C=C3)OCO4" | 21 | "98F77D5FA4A89BFD" |
"D609259C99D91B0F_413560A8DAC34B7C_1031_UN" | "CC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)C2=NOC=N2" | 21 | "98FA95E50382645B" |
"44124DF145970BA0_450415F37F5FCB85_6016_UN" | "CNCC1=C(C=CC(=C1)F)C(=O)C2=CC3=C(C=C2)OCO3" | 21 | "99001A7633AB030A" |
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