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lhallee
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LD50_selfies_log

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train · 5.16k rows

labels float64 -1.23 2.32	seqs stringlengths 6 382
0.851432	[Br][C][Branch1][C][Br][Br]
0.845868	[C][=C][Br]
0.381855	[Br][C][=C][C][=C][Branch1][S][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][Br][=C][Ring1][Branch2][Br][C][Branch1][C][Br][=C][Ring1][S][Br]
1.003935	[S][=C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
0.845868	[O][=C][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][Ring1][#Branch2]
0.568151	[Br][C][=C][C][=C][C][=C][Ring1][=Branch1]
1.374222	[Br][C][=N][C][Branch1][C][Br][=C][Branch1][C][Br][NH1][Ring1][#Branch1]
1.165336	[Br][C][Br]
1.043452	[O][=P][Branch1][=Branch2][O][C][C][Branch1][C][Br][C][Br][Branch1][=Branch2][O][C][C][Branch1][C][Br][C][Br][O][C][C][Branch1][C][Br][C][Br]
1.239822	[Br][C][C][=C][C][Br]
1.175573	[Br][C][C][Br]
1.165959	[O][=C][Branch1][Ring2][C][C][Br][N][C][C][N][Branch1][Branch2][C][=Branch1][C][=O][C][C][Br][C][C][Ring1][O]
0.471877	[C][#C][C][C][C][C][#C]
0.807368	[C][#C][C][O][C][C][#C]
0.673455	[C][Si][Branch1][C][C][Branch1][C][C][O][P][=Branch1][C][=O][Branch1][#Branch2][O][Si][Branch1][C][C][Branch1][C][C][C][O][Si][Branch1][C][C][Branch1][C][C][C]
0.592774	[C][Si][Branch1][C][Cl][Branch1][C][Cl][C][C][C][C][#N]
1.041336	[C][=C][C][#N]
0.954357	[C][=C][C][=Branch1][C][=O][N][C][N][C][=Branch1][C][=O][C][=C]
0.383901	[C][=C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1]
1.024248	[C][=C][C][=Branch1][C][=O][O][C][C][C][O][Ring1][Ring1]
1.044508	[C][=C][C][=Branch1][C][=O][O][C][C][C][#N]
1.013054	[C][=C][C][=Branch1][C][=O][O][C][C][O][C][=Branch1][C][=O][C][=C]
0.450438	[C][=C][C][=Branch1][C][=O][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
0.778866	[C][=C][C][=Branch1][C][=O][O][C][C][O][C][C][C][#N]
1.003935	[C][=C][C][=Branch1][C][=O][O][C][C][O][C][C][O][C][=Branch1][C][=O][C][=C]
-0.006018	[C][=C][C][=C]
0.948564	[C][=C][C][=C][C][=C]
0.841567	[C][=C][C][=N][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
1.126876	[C][=C][C][=O]
0.276874	[C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]
1.105919	[C][=C][C][=C][C][=C][C][=N][Ring1][=Branch1]
1.105919	[C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1]
0.364643	[C][=C][C][C][C][C][=C][C][Ring1][=Branch1][C][Ring1][Branch1]
0.559616	[C][=C][C][C][C][C][Branch1][Ring1][C][=C][O][C][Ring1][Branch2]
0.485508	[C][=C][C][C][C][=C][C][C][Ring1][=Branch1]
0.58389	[C][=C][C][C][C][C][O][C][Ring1][Ring1][C][Ring1][#Branch1]
1.017402	[C][=C][C][C][#N]
0.652325	[C][=C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
0.757061	[C][=C][C][C][C][=O]
0.753772	[C][=C][C][N][Branch1][Ring2][C][C][=C][C][C][=C]
0.787548	[C][=C][C][N][Branch1][Ring2][C][C][=C][N][=O]
1.080788	[C][=C][C][N][=C][=S]
0.800206	[C][=C][C][N][C][C][=C]
1.035317	[C][=C][C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][O][C][C][=C]
0.918289	[C][=C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C]
0.889125	[C][=C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
0.835514	[C][=C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][=Branch1]
0.926637	[C][=C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][Ring1][=Branch1]
0.813593	[C][=C][C][O][C][Branch1][Branch1][O][C][C][=C][C][Branch1][Branch1][O][C][C][=C][O][C][C][=C]
0.781616	[C][=C][C][O][C][=C]
1.044508	[C][=C][C][O][C][=O]
0.5579	[C][=C][C][O][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][Branch1][O][C][C][=C]
0.911077	[C][=C][C][O][C][C][=C]
0.658556	[C][=C][C][O][C][C][C][#N]
0.63074	[C][=C][N][C][C][C][C][Ring1][Branch1][=O]
0.506215	[C][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
0.34146	[C][=C][O][C][=O]
0.486738	[C][=C][O][C][C][O][C][C][O][C][=C]
1.271725	[C][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C]
0.45362	[C][=O]
0.592221	[C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N]
0.815807	[C][=C][C][=C][Branch1][O][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C]
0.316998	[C][=C][C][=C][C][=C][Ring1][=Branch1]
0.666803	[C][=C][C][=N][C][=C][Ring1][=Branch1]
0.952044	[C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
0.882941	[C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
0.509825	[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1]
0.669879	[C][C][C][C][O][C][Ring1][Ring1][C][Ring1][#Branch1]
-0.197232	[C][C][C][C][C][C][Ring1][=Branch1]
0.84501	[C][C][C][N][C][C][Ring1][=Branch1]
0.34217	[C][C][C][O][C][Ring1][Branch1]
0.504405	[C][C][N][C][C][N][Ring1][=Branch1]
1.024966	[C][C][O][Ring1][Ring1]
0.651804	[C][C][O][C][C][N][Ring1][=Branch1]
0.33146	[C][C][O][C][O][Ring1][Branch1]
0.842859	[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]
0.973427	[C][Br]
0.162969	[C][C][#N]
1.010509	[C][=C][Branch1][C][C][C][#N]
0.745265	[C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]
0.903003	[C][=C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=C][C]
0.865839	[C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][O][Ring1][Ring1]
1.05466	[C][=C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][Cl]
0.982078	[C][=C][Branch1][C][C][C][Branch1][C][C][=O]
0.952816	[C][=C][Branch1][C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][O][C][Branch1][C][C][=O]
0.323532	[C][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
1.527577	[C][=C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][Branch2]
0.533565	[C][=C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][Branch1][C][O][C][Ring1][Branch2]
0.399447	[C][=C][Branch1][C][C][C][C][C][=C][Branch1][C][C][C][C][Ring1][#Branch1]
0.620576	[C][=C][Branch1][C][C][C][C][C][=C][Branch1][Ring1][C][O][C][C][Ring1][Branch2]
0.777948	[C][=C][Branch1][C][C][C][C][#N]
0.420682	[C][=C][Branch1][C][C][O][C][Branch1][C][C][=O]
0.690143	[C][C][=Branch1][#Branch1][=C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]
0.795252	[C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C]
0.551584	[C][C][=Branch1][C][=O][C][Branch1][C][C][=O]
1.214616	[C][=C][C][Branch1][C][C][=O]
0.48366	[C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][Branch1][C][C][C]
0.48366	[C][C][=Branch1][C][=O][C][=C][C][C][Branch1][C][C][=C][C][C][C][Ring1][#Branch1][Branch1][C][C][C]
0.582774	[C][C][=Branch1][C][=O][C][=O]
0.711969	[C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]

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Size of downloaded dataset files:

301 kB

Size of the auto-converted Parquet files:

301 kB

Number of rows:

7,384