id stringlengths 1 40 | image imagewidth (px) 4 5.02k | SMILES stringlengths 3 337 | dataset_name stringclasses 8
values | synthetic bool 2
classes |
|---|---|---|---|---|
49994 | CC1C=C(C=C(C=1NC(=O)C1=CC(CN2N=C(C=N2)C(C)C)=NN1C1N=CC=CC=1Cl)C(=O)NC)C#N | staker | false | |
49995 | CCCCCNS(=O)(=O)C1C=CC(F)=CC=1 | staker | false | |
49996 | CCCCCCCCCNC(=O)C1C=CC=CC=1 | staker | false | |
49997 | CC[Si](CC)(CC)C#CC1=NC(Cl)=CN=C1N | staker | false | |
49998 | COCCOCCOCC(=O)NC1=CC=CC=C1N | staker | false | |
49999 | CC1C=C2C(=CC=1)C=CN2CC(=O)NC1C=CC(=CC=1)S(=O)(=O)NC1=NC=CS1 | staker | false |
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