product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"54561B399FE1CEC6_F3930ED5D367666C_1171_UN" | "CCOC(=O)C1=C[N](N=C1)CC2=NC(=C(C(C)(C)C)S2)C" | 21 | "F62673BF7CAC7249" |
"203B1445341BC26F_2BF747EBE63B4E03_6008_UN" | "NC1=C(C=CN=C1)C2=CC=CC(=O)N2CC3=CC=CC=C3" | 21 | "F86823C468CFEC65" |
"FD80E35D378F0674_AC8AC28EBE7D378E_6008_UN" | "NC1=C(C=CN=C1)C2=CC(=O)C=CN2CC3=CC=CC=C3" | 21 | "F86823C468CFEC65" |
"0DE28F45A90FA22E_CD2073A325146DE1_6036_UN" | "C1(CC(NC1)C2=C(C=CC=C2)C(F)(F)F)N(C)[S](=O)(=O)C" | 21 | "FAD03E95CEBD1357" |
"D6BACDE7D5DD3342_6D4B16420CBCC84F_6036_UN" | "C1(CC(NC1)C2=C(C=CC=C2)C(F)(F)F)N3CC[S]3(=O)=O" | 21 | "FAD03E95CEBD1357" |
"1E158B9E341E0D7B_B8B5E259D421EA01_1171_UN" | "CC(C)(C)SC1=CN=C(C=C1)C2=NC(=C(C)S2)C(OC)=O" | 21 | "FC7371DBC25AD6C6" |
"5350D42172D39D83_F9C60CB16D91C2E3_1171_UN" | "CC(C)(C)SC1=CN=C(C=C1)C2=NC(=C(C(C)(C)C)S2)C" | 21 | "FC7371DBC25AD6C6" |
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