smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CS[C@@H](C)c1ccccc1[N+](=O)[O-] 306675575 SUHTXRBHTSFVNL-ZETCQYMHSA-N 197.259 3.019 5 20 AGBD CS[C@H](C)c1ccccc1[N+](=O)[O-] 306675574 SUHTXRBHTSFVNL-SSDOTTSWSA-N 197.259 3.019 5 20 AGBD c1ccc2cc3cnccc3cc2c1 2485847 JWMUHTIFNGYNFA-UHFFFAOYSA-N 179.222 3.388 5 20 AGBD