smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCC[C@H](N)c1ccc2cc3ccccc3cc2c1 1690152856 PINNTGPRSWYILF-SFHVURJKSA-N 249.357 4.793 5 20 BJBD CCC[C@@H](N)c1ccc2cc3ccccc3cc2c1 1690152855 PINNTGPRSWYILF-GOSISDBHSA-N 249.357 4.793 5 20 BJBD CC(C)[C@H](N)c1ccc2cc3ccccc3cc2c1 1690152868 XYRDBHHDUROQIL-SFHVURJKSA-N 249.357 4.649 5 20 BJBD CC(C)[C@@H](N)c1ccc2cc3ccccc3cc2c1 1690152867 XYRDBHHDUROQIL-GOSISDBHSA-N 249.357 4.649 5 20 BJBD