Hi,
Somewhat of a corner case I know but thought it might be worth just mentioning.
This class of compounds:
http://www.molport.com/buy-chemicals/molecular-formula/C2B10
I’m assuming that the SMILES are valid so:
Python 2.7.5 (default, Jul 30 2013, 12:06:31)
[GCC 4.2.1 Compatible Apple LLVM 4.2 (clang-425.0.28)] on darwin
Type "help", "copyright", "credits" or "license" for more information.
>>> from rdkit import Chem
>>> m =
>>> Chem.MolFromSmiles("[B]1234[B]567[B]118[B]229[B]33%10[B]454[B]656[B]711[B]822[C]933[B]%1045[C]6123")
[19:33:19] Explicit valence for atom # 0 B, 5, is greater than permitted
I have rdkit-2013.03.2 installed currently.
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