product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
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"E430266413430FAE_28756F85C111BA31_6016_UN" | "OC(=O)C1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)Cl" | 21 | "F47160008DE572BE" |
"FF819908C4B62C54_28BFE575EB4A94AF_6016_UN" | "CCC(C)(C)C1=NN=C(O1)C(=O)C2=CC3=C(C=C2)OCO3" | 21 | "F4BBEAF0A7BE5C20" |
"0D04F2BE1AD933B8_6B5A0E6C2EAA7357_1031_DP" | "NC1(CCC1)CC[N]2C3=C(C(=C2C)C(OCC)=O)CCC3" | 21 | "F4C1BBE30D93AFEC" |
"9186DC29DACF6218_28E72EAC405EEA89_6016_DP" | "NC4=CC1=C(C=C(C=C1)C(=O)C2=CC3=C(C=C2)OCO3)S4" | 21 | "F4E321290CAA2206" |
"67538E126BEC3AFD_E1294C2AEC17FD2F_6016_UN" | "CC(C)(C)CC(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2" | 21 | "F4FDD594ED33ED03" |
"2BF8126F63102A21_290E933584E56179_6016_UN" | "O=[N](=O)C1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)OCO3)F" | 21 | "F50A9CB0C811A9F6" |
"534B45E6DE0D17A6_E0C32BB233B79730_6016_UN" | "OC(=O)C1=C(C=CC(=N1)C(F)(F)F)C(=O)C2=CC=CC=C2" | 21 | "F517B20C3293871C" |
"1D44AA7EA080B769_923F43FED44904DB_6043_UN" | "CC1=C(C=NC=C1N[S](C)(=O)=O)B2OC(C)(C)C(C)(C)O2" | 21 | "F52F0B4B74EAF7F8" |
"EE3F469D886FB57F_2C9F1125AAF59F35_1031_UN" | "COC1CCCC1C[N]2C(=C(C(=C2C)C(OCC)=O)C)C" | 21 | "F550E46873B4B012" |
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