product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"8B0280E363DB48A9_9771A1B7D5A9E261_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCCNC2COC2)C" | 21 | "82BCC4E1E17351EF" |
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"69C68E86171B9126_7AB8D7141C65E5EA_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC(C)[N]2C=CN=N2)C" | 21 | "82BCC4E1E17351EF" |
"9E1A88F644E086F9_C0AC48A63647A0F0_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2(CCOC)CC2)C" | 21 | "82BCC4E1E17351EF" |
"E0BEE546816FAB69_5DEA19FD5E7139BC_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC(C)(N)C(F)(F)F)C" | 21 | "82BCC4E1E17351EF" |
"6D4AD8CD929B6D5B_DB5BBBD882FF54C9_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2(N)CC(C2)(F)F)C" | 21 | "82BCC4E1E17351EF" |
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