product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"F0CF08AF995409ED_A62E686066DE6023_6016_UN" | "O=[N](=O)C1=CC(=C(C=C1)Cl)C(=O)C2=CC3=C(C=C2)OCO3" | 21 | "7A2A67E52A2AA8AC" |
"90BD12BEED3B11ED_A3E372D49B841109_1031_UN" | "[N]1(CCNCC(F)(F)F)C(=C(C(=C1C)C(OCC)=O)C)C" | 21 | "7A2C879942C53E2E" |
"2CEAEC25C61AE7B4_A38FE03C11BE3A5F_1031_UN" | "[N]2(CC1CCCCCC1)C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "7A401571C8FF1578" |
"0E63030390D30CE8_6F983ED66882EE94_6016_UN" | "OC(=O)CC1=NOC2=C1C=C(C=C2)C(=O)C3=CC=CC=C3" | 21 | "7A4CA76869A6FEB8" |
"EDC78E17D836C98B_E5F8B4C3C21B4282_1031_UN" | "CC1(C(C1)(C)C[N]2C3=C(C(=C2C)C(OCC)=O)CCC3)C" | 21 | "7A63014CE1229E39" |
"EAC713FCC37B9CC3_A3A240B989D9E51F_1031_UN" | "CN2CCC(C[N]1C(=C(C(=C1C)C(OCC)=O)C)C)CC2" | 21 | "7A6DB5F45098CA38" |
"3DBA53BC0A61D895_E5ED18315DA02B6C_1031_UN" | "CCC(C[N]1C2=C(C(=C1C)C(OCC)=O)CCC2)C(=O)O" | 21 | "7A76ADBE7E99F7D7" |
"248CD4276C06CD67_A67C5D2B3ED06C3B_6016_UN" | "O=[N](=O)C1=CC(=C(N=C1)Cl)C(=O)C2=CC3=C(C=C2)OCO3" | 21 | "7A7852AE7224A4B4" |
"0D945DB877B5BA5C_A67D201379CF0D47_6016_UN" | "OC1(CC1)C2=CC=C(C=C2)C(=O)C3=CC4=C(C=C3)OCO4" | 21 | "7A792F96353BC5C8" |
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