product_name stringlengths 43 43 | product_smiles stringlengths 23 83 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"22D13FFEE10D6F1D_8A4BB49F6B918C08_6031_DP" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2(N)CCCNC2)C" | 21 | "82BCC4E1E17351EF" |
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"FA0AA7A2C75A4408_5799C960A886F7F2_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC(CN)C(F)(F)F)C" | 21 | "82BCC4E1E17351EF" |
"2430A485A8AFD700_C6598EB6FD413986_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCCC2CC2(C)C)C" | 21 | "82BCC4E1E17351EF" |
"C1D72DB907CA9FC9_F1BCB1903E14C9C1_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2=C(C)N=C(S2)Cl)C" | 21 | "82BCC4E1E17351EF" |
"556880D95A2F7694_EE1186514C017FAC_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCCOC2CCC2)C" | 21 | "82BCC4E1E17351EF" |
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"A6F9FEF861CC2D31_0C8409FDC31ED5C2_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2=CC(=CC=C2)I)C" | 21 | "82BCC4E1E17351EF" |
"137AF338F5EC2B63_D1DBAB361E504048_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2=CC=C(C#N)O2)C" | 21 | "82BCC4E1E17351EF" |
"DAD1887F3108189F_DAE52CD872966333_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2=NN=C(C)C=C2)C" | 21 | "82BCC4E1E17351EF" |
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"804AECBD1F3D3298_0415BD95BDA4CA8F_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC2=C(C)C=N[N]2C)C" | 21 | "82BCC4E1E17351EF" |
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"EA9BEFBB751A6DB3_F47911A71F9E8326_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC(CCOC)(C)C)C" | 21 | "82BCC4E1E17351EF" |
"B61EEE9209E47BCC_FE18DDF1554204AB_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCC(CC)(CC)C#N)C" | 21 | "82BCC4E1E17351EF" |
"B0BC2B6F0DF2A6B9_EEE9194490C4247E_6031_UN" | "CC(C)CC1=NC(=C(S1)C(=O)OCCC2=CSC(=N2)Br)C" | 21 | "82BCC4E1E17351EF" |
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