Hi everyone, here's an example output, for validation. It's the first molecule in filterset.sdf. Cheers.
Jeremy
# The contents of this file were derived from filterset.sdf # Title = 56 -O(-H(-O)-C(-C-O-O)) -O(-C(-C-O-O)) -N(-H(-N)-H(-N)-C(-H-H-C-N)) -C(-H(-C)-H(-C)-C(-H-H-C-C)-C(-H-H-C-C)) -C(-H(-C)-H(-C)-C(-H-H-C-C)-C(-H-H-C-N)) -C(-H(-C)-H(-C)-C(-H-H-C-C)-C(-C-O-O)) -C(-H(-C)-H(-C)-C(-H-H-C-C)-N(-H-H-C)) -C(-C(-H-H-C-C)-O(-H-C)-O(-C)) -H(-C(-H-H-C-C)) -H(-C(-H-H-C-C)) -H(-C(-H-H-C-C)) -H(-C(-H-H-C-C)) -H(-C(-H-H-C-C)) -H(-C(-H-H-C-C)) -H(-C(-H-H-C-N)) -H(-C(-H-H-C-N)) -H(-N(-H-H-C)) -H(-N(-H-H-C)) -H(-O(-H-C))
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