product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"0177FF6FB57B704D_745A48837DB740D5_1031_UN" | "COCC2=CN=C([N]1C(=C(C(=C1C)C(OCC)=O)C)C)S2" | 21 | "AD95BDCEA4F66FF2" |
"EF326FD1E62A6E70_7458FDE221055C31_1031_UN" | "CC(CC[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC(=O)O" | 21 | "AD9708AFF8447316" |
"417424A76E83D3D4_74747DC86C7D0872_1031_UN" | "CC(C)C1=CSC(=N1)[N]2C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "ADBB8885B53C2755" |
"8200DBD80A5F974F_7412214ECFB6F4DA_1031_UN" | "[N]2(C1=NC=C(CCCl)S1)C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "ADDDD40316F7DBFD" |
"D85B4BDA19BB3244_71E7B94354F3D760_6016_UN" | "FC(F)CC1=CC(=CC=C1)C(=O)C2=CC3=C(C=C2)OCO3" | 21 | "ADE3B6C618071FEF" |
"0A3A3AC9B886C30E_C918D09818796E37_6043_UN" | "OC(=O)C=CC1=CC=C(S1)C2=CC(=CC=C2)N[S](C)(=O)=O" | 21 | "AE08982DB8DA9D14" |
"6CB5935BFAF94CB8_318E38F7BB6794F9_1031_UN" | "CCC1=C(N=N[NH]1)[N]2C3=C(C(=C2C)C(OCC)=O)CCC3" | 21 | "AE158D78985E4842" |
"2E98DD4A302C9BDF_721C52BE6310E20C_6016_UN" | "N[C@H](CO)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3" | 21 | "AE185D3B2FE42A83" |
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