product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
|---|---|---|---|
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"82852BB2A25B894A_6214F09E2E5F0F09_6043_UN" | "OC(=O)C=CC1=C(C=CC(=C1)N(C)[S](=O)(=O)C)OC(F)F" | 21 | "55E4BDA8C5F671BF" |
"C65AD13963180C1D_C27F957F07F7AAA7_6043_UN" | "OC(=O)C=CC1=C(C=CC(=C1)N2CC[S]2(=O)=O)OC(F)F" | 21 | "55E4BDA8C5F671BF" |
"11965CD1541C3265_4B77016E7B214C30_6043_UN" | "OC(=O)C=CC1=C(C=CC(=C1)N[S](CC)(=O)=O)OC(F)F" | 21 | "55E4BDA8C5F671BF" |
"FBBC9FFF99D29D2F_233E6107331C3F05_6043_UN" | "OC(=O)C=CC1=C(C=CC(=C1)N[S](=O)(=O)C=C)OC(F)F" | 21 | "55E4BDA8C5F671BF" |
"1CF16BAA6EB0354C_61C1421F5B93CBAA_6043_UN" | "OC(=O)C1=C(C=C(C=C1)N(C)[S](=O)(=O)C)C2(CC2)C(=O)O" | 21 | "56310F29B03AB51C" |
"A67F76157473E47A_C1AA27FE723B6E04_6043_UN" | "OC(=O)C1=C(C=C(C=C1)N2CC[S]2(=O)=O)C3(CC3)C(=O)O" | 21 | "56310F29B03AB51C" |
"DF7F00AA02EB3523_48A2B3EF0EED8893_6043_UN" | "OC(=O)C1=C(C=C(C=C1)N[S](CC)(=O)=O)C2(CC2)C(=O)O" | 21 | "56310F29B03AB51C" |
"C2E374915DCB66BD_20EBD38646D0FBA6_6043_UN" | "OC(=O)C1=C(C=C(C=C1)N[S](=O)(=O)C=C)C2(CC2)C(=O)O" | 21 | "56310F29B03AB51C" |
"51C16CE148E0A5F1_425582DBB5A3F12D_6031_DP" | "CNCCC(=O)OC[C@H]1C[C@H](CN1)O[Si](C)(C)C(C)(C)C" | 21 | "56DB4AB534CF1577" |
"C8A9AF62AFBAD232_93CE196C7F00377F_6031_DP" | "CNCCC(=O)OCC(CC1=C(OC)C=CC(=C1)Br)CN" | 21 | "56DB4AB534CF1577" |
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