product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"7C81509A02011338_24A3A48B963291E6_6035_DP" | "COC(=O)[C@H](COC2=CC=C(CC1CCCNC1)C=C2)N" | 21 | "FA84D20950840964" |
"AF50F8A5C029A8A6_0DDF55E43EABF061_6035_DP" | "COC(=O)[C@H](COC2=CC=C(CC1CCCCN1)C=C2)N" | 21 | "FA84D20950840964" |
"EAD0EE297ABD6125_62CB2B643E8545BF_6035_DP" | "COC(=O)[C@H](COC1=NC=NC3=C1C2=C(CNCC2)S3)N" | 21 | "FA84D20950840964" |
"906ACBA641A41E23_F8A7E1E88143E083_6035_DP" | "COC(=O)[C@H](COC2=CC=C(C[C@@H]1COCCN1)C=C2)N" | 21 | "FA84D20950840964" |
"F109F8E1F218EABE_B419C57BC05D8357_6006_DP" | "N2CC[C@@H]1CN(C[C@@H]1C2)C3=NC(=NC=N3)C4=CC=N[N]4C" | 21 | "FAC771F9366990A1" |
"0544D6AC9803A6C9_460E7B6776503F4E_6006_DP" | "N2CC[C@@H]1CN(C[C@@H]1C2)C3=NC(=NC=N3)C4=C[N](C)N=C4" | 21 | "FAC771F9366990A1" |
"3AFBC1491ECD5CF6_80D8412350BD1901_6006_DP" | "N2CC[C@@H]1CN(C[C@@H]1C2)C3=NC(=NC=N3)C4=CN=CN=C4" | 21 | "FAC771F9366990A1" |
"E64C5A98550A21D0_FF0BE5125BB076C4_6006_DP" | "N2CC[C@@H]1CN(C[C@@H]1C2)C3=NC(=NC=N3)C4=CC=CC=C4" | 21 | "FAC771F9366990A1" |
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