product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"9BB3FB9A26FB89CF_42C7CD976B56BB85_6016_UN" | "OC(=O)C1(CCC1)C2=C(C=CC=C2)C(=O)C3=CC=CC=C3" | 21 | "571354296A72ABA9" |
"6ED60FB39CD5B8BE_8B26C3B0D0906308_6016_UN" | "NC(CF)C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3" | 21 | "5722CC359C64AB87" |
"1D683AA5049DCBE4_8B2C6AC8E413038F_6016_UN" | "C1(=C[N](N=C1)C2=NC=CS2)C(=O)C3=CC4=C(C=C3)OCO4" | 21 | "5728654DA8E7CB00" |
"12B1AA24D5BCE7BB_8EE3AE99FCCCC134_1031_UN" | "[N]2(CC1=CC(=CN=C1)F)C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "572C5BD4258DEE13" |
"3F3879F5BD428CA2_8B308F380F527632_6016_UN" | "NC1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)[N](=O)=O" | 21 | "573480BD43A6BEBD" |
"B7CB04AA10103FFB_C8AEA3BE64602B17_1031_UN" | "[N]2(CC1CCC(F)C1)C3=C(C(=C2C)C(OCC)=O)CCC3" | 21 | "573516314759F7AC" |
"06900DF6AC6C70D3_8CADEDD9DA38B777_6036_UN" | "NC2(CCN([S](C)(=O)=O)C1=CC(=CC=C1)C#N)CCCC2" | 21 | "57386F8B3043D705" |
"F996A584254186A1_C8DAF7CCE691EE85_1031_UN" | "[N]2(CCC1CCSC1)C3=C(C(=C2C)C(OCC)=O)CCC3" | 21 | "57414243C5A8323E" |
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