product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"6E354447599BF00B_1BED3AAB4025C129_6006_DP" | "N1CCN(CC1(C)C)C(=O)C2=CN=C(N=C2)C3=CSC=C3" | 21 | "7C606BEDA817D8ED" |
"4C00AD6C8EF6EE47_82B69EFF1D5B7780_6006_DP" | "N1CCN(CC1(C)C)C(=O)C2=CN=C(N=C2)C3=CON=C3" | 21 | "7C606BEDA817D8ED" |
"78F0687714884384_11CE04B4B7D3F388_6006_DP" | "N1CCN(CC1(C)C)C(=O)C2=CN=C(N=C2)C3=C[NH]N=C3" | 21 | "7C606BEDA817D8ED" |
"9FC5F14081E193C5_19D25F866A2A2F33_6006_DP" | "N1CC4(C1)CCN(CC2=NC=C(N=C2)C3=CSC=C3)CC4" | 21 | "7E5F0EC0821836F7" |
"02636327E41B08B8_8089FBD23754999A_6006_DP" | "N1CC4(C1)CCN(CC2=NC=C(N=C2)C3=CON=C3)CC4" | 21 | "7E5F0EC0821836F7" |
"A776ED22903759DA_13F161999DDC1D92_6006_DP" | "N1CC4(C1)CCN(CC2=NC=C(N=C2)C3=C[NH]N=C3)CC4" | 21 | "7E5F0EC0821836F7" |
"8C7917DD0A3EB6FA_19E431C7DC0030DC_6006_UN" | "O=[N](=O)C1=C(C=C(C=C1)C2=CSC=C2)NC3=CC=CC=C3" | 21 | "7E69608134322918" |
"9C79E919FC45645F_80BF9593817E8675_6006_UN" | "O=[N](=O)C1=C(C=C(C=C1)C2=CON=C2)NC3=CC=CC=C3" | 21 | "7E69608134322918" |
"DFC82C044A102155_13C70FD82BF6027D_6006_UN" | "O=[N](=O)C1=C(C=C(C=C1)C2=C[NH]N=C2)NC3=CC=CC=C3" | 21 | "7E69608134322918" |
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