User 6ce93379c0
20-12-2012 01:54:49
getting different outputs for the same molecule for smarts output using the standardizedMol.toFormat("smarts") function.
[#7]~[#6]~1~[#6]~cn(c(~[#8])~[#7]~1)C1OC(COP(~[#8])(~[#8])~[#8])C(O)C1O |
when i take the input file as a .mol file
and
[#7]C1=NC(=O)N(C=C1)C1OC(COP(O)(O)=O)C(O)C1O
when i take the input file as smiles file.
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I have also tried the cxsmarts output and that too does not help
ChemAxon e08c317633
31-12-2012 15:57:30
Do you use Standardizer in your code? Please attach the full code that gives you these results.