smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)[C@]1(C#N)C(=O)C(C#N)=C2CCCC[C@@H]2[C@@H]1c1ccccc1 ZINC000217479135 269666065 /nfs/dbraw/zinc/66/60/65/269666065.db2.gz JPWFTLNBFYFNII-MDKPJZGXSA-N 0 0 348.402 3.436 50 50 EGGARN