diff --git "a/tox21_train.csv" "b/tox21_train.csv"
new file mode 100644--- /dev/null
+++ "b/tox21_train.csv"
@@ -0,0 +1,6265 @@
+smiles,selfies,target
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+OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,[O][C][C][N][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=Branch2][C][O],0
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+O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-],[O][=N+1][Branch1][C][O-1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][N+1][=Branch1][C][=O][O-1],0
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+C=COCCOCCOCCOC=C,[C][=C][O][C][C][O][C][C][O][C][C][O][C][=C],0
+Cc1sccc1Br,[C][C][S][C][=C][C][=Ring1][Branch1][Br],0
+CCC(C)OC(=O)N1CCCCC1CCO,[C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][O],0
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