product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"B6A92357F8C2CC68_23CAEE74EA56924B_6016_UN" | "NC(C1CC1)C2=C(C=C(C(=C2)F)C(=O)C3=CC=CC=C3)F" | 21 | "361E77CAEB728267" |
"EBE32D7BD255C78A_EFFE0F74084CBBD8_1031_UN" | "C[S](=O)(=O)SCCC[N]1C(=C(C(=C1C)C(OCC)=O)C)C" | 21 | "3631FA39D10D94FF" |
"43A487527D372C92_A9A9078EFC07D14E_1031_UN" | "CN(C)CCCO[N]1C2=C(C(=C1C)C(OCC)=O)CCC2" | 21 | "3632B201DF3E0DF5" |
"240CC6F65040FBA6_EFF80235018FE51A_1031_UN" | "COCCNC(=O)C[N]1C(=C(C(=C1C)C(OCC)=O)C)C" | 21 | "3637F778D8CECA3D" |
"E415388A43BC84EE_EA865583C841B178_6016_DP" | "NC1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)C(=O)O" | 21 | "36825A0684B579F7" |
"9D30171B6B80472E_A94811B7E936BDD0_1031_UN" | "CCC3=CN=C([N]1C2=C(C(=C1C)C(OCC)=O)CCC2)O3" | 21 | "36D3A438CA0F616B" |
"212A5C8F756F2300_EAFCBED60ABD51D2_6016_UN" | "CC1=CC(=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)[N](=O)=O" | 21 | "36F8B1534649995D" |
"F467238BF9686BBE_EF3493D211AB2E0E_1031_UN" | "CC1=NC(=N[NH]1)CC[N]2C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "36FB669FC8EA0129" |
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