File: easy_smiles.txt

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rdkit 201809.1%2Bdfsg-6
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file content (15 lines) | stat: -rwxr-xr-x 299 bytes parent folder | download | duplicates (8) 
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test1	CCC
test2	C1CCC1
test3	C1CCC1.CCC
test4	C1CCC1.C=CC
test5	C1CC=C1.CCC
test6	C(CC)CCC
test7	C(CO)CCC
test8	C(C=O)CCC
test9	C(C=O)CCC.[Na+].[Cl-]
test10	C(C=O)CCC.CCC.C(CC)C
TR435	C(C)(C)(C)c1cc(Sc2cc(c(O)cc2C)C(C)(C)C)c(C)cc1O
dbl1    C/C=C\C 
dbl2    C\C=C/C 
dbl3    C/C=C/C 
dbl4    C\C=C\C