<jupyter_start><jupyter_text>To do * substituents  that have multiple points of attachment* second order ennumeration (using enumerated fragments as seeds)  Issues* problems with Si and Carboxylic Acid substituents : cannot canonicalize<jupyter_code>from smilescombine import Combiner
substituents = ['(N(C)C)', '(O)', '(N)', '(S)', '(C)', '(F)']    

combiner = Combiner('c1ccsc1', substituents, nmax=2, auto_placement=True)
combiner.combine_substituents('./SMILES.csv')<jupyter_output>Skeleton SMILES: c1ccsc1
Number of vacant sites: 4
Numer of unique substituent permutations: 127
{'fraction_non_alphanumeric': 0.1183533447684391, 'fraction_numerical': 0.015437392795883362, 'mean_word_length': 7.225352112676056, 'pattern_counts': {'":': 0, '<': 4, '<?xml version=': 0, '>': 4, 'https://': 0, 'lorem ipsum': 0, 'www.': 0, 'xml': 0}, 'pii_count': 0, 'substrings_counts': 0, 'word_list_counts': {'cursed_substrings.json': 0, 'profanity_word_list.json': 0, 'sexual_word_list.json': 0, 'zh_pornsignals.json': 0}}
{'chain_length': '1', 'dir': 'jupyter-structured-clean-dedup', 'id': '264757', 'license': 'MIT', 'n_tokens_mistral': 207, 'n_tokens_neox': 190, 'n_words': 57, 'path': 'examples/test.ipynb', 'repo_name': 'LiamWilbraham/smilescombine', 'size': '583'}