product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"1D39188850FD3A53_067927044A1FA6FA_6003_UN" | "OC(=O)C1=C(C=CC(=C1)OC2=CC=CC=C2C#N)[N](=O)=O" | 21 | "F2DE445E899B8575" |
"C966A5D437E44BDD_EEF98560D4E18F86_6003_UN" | "OC(=O)C1=C(C=CC(=C1)OC2=CC=C(C=C2)[N+]#[C-])[N](=O)=O" | 21 | "F2DE445E899B8575" |
"8AEEFC4BFDA03C07_60C200826BCC58F8_6003_UN" | "OC(=O)C1=C(C=CC(=C1)OC2=CC=CC(=C2)[N+]#[C-])[N](=O)=O" | 21 | "F2DE445E899B8575" |
"78E8CD0FF31E03A9_3E339D90D98BB61A_6003_UN" | "O(CCC2=C1C=CC=NC1=CC=C2)C3=CC=C(C=C3)C#N" | 21 | "F2E3F1B03ADA1516" |
"B7F788E60FA9A05C_0113679898130B3B_6003_UN" | "O(CCC2=C1C=CC=NC1=CC=C2)C3=CC=CC=C3[N+]#[C-]" | 21 | "F2E3F1B03ADA1516" |
"247CC2C9D92E6AFD_064492EAF95E3699_6003_UN" | "O(CCC2=C1C=CC=NC1=CC=C2)C3=CC=CC=C3C#N" | 21 | "F2E3F1B03ADA1516" |
"45A0E966EB12F78A_EEC4308E67A01FE5_6003_UN" | "O(CCC2=C1C=CC=NC1=CC=C2)C3=CC=C(C=C3)[N+]#[C-]" | 21 | "F2E3F1B03ADA1516" |
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