product_name stringlengths 43 43 | product_smiles stringlengths 23 76 | heavy_atoms int64 21 21 | r1_hashisy stringlengths 18 18 |
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"CF42391F3300EC2B_2F8B94DD8FE0E25D_6003_UN" | "CN(C)[S](=O)(=O)CC(OC1=CC=CC=C1[N+]#[C-])C(F)(F)F" | 21 | "DC7B02F52D29FC70" |
"61CEB2DA77862E07_28DC61AFEEADDFFF_6003_UN" | "CN(C)[S](=O)(=O)CC(OC1=CC=CC=C1C#N)C(F)(F)F" | 21 | "DC7B02F52D29FC70" |
"B878D7F07FE48075_C05CC3CB7053F683_6003_UN" | "CN(C)[S](=O)(=O)CC(OC1=CC=C(C=C1)[N+]#[C-])C(F)(F)F" | 21 | "DC7B02F52D29FC70" |
"649A6C112DF81077_4E674629CF7E21FD_6003_UN" | "CN(C)[S](=O)(=O)CC(OC1=CC=CC(=C1)[N+]#[C-])C(F)(F)F" | 21 | "DC7B02F52D29FC70" |
"911844275BAE26F6_93C63C9C1DBF0ACC_6006_UN" | "C2(=C1N=N[N](C1=NC=N2)C3=CC=CC=C3)C4=CC=N[N]4C" | 21 | "DD18881EEB8B193A" |
"DB185E5A0A4E5D5C_61D18280ABB2B6D5_6006_UN" | "C2(=C1N=N[N](C1=NC=N2)C3=CC=CC=C3)C4=C[N](C)N=C4" | 21 | "DD18881EEB8B193A" |
"28C205EA0A88C686_A707B8C48D5F909A_6006_UN" | "C2(=C1N=N[N](C1=NC=N2)C3=CC=CC=C3)C4=CN=CN=C4" | 21 | "DD18881EEB8B193A" |
"311F9EDC3725DA69_D8D41CF58652FF5F_6006_UN" | "C2(=C1N=N[N](C1=NC=N2)C3=CC=CC=C3)C4=CC=CC=C4" | 21 | "DD18881EEB8B193A" |
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