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)CN1C(=O)CC[C@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1=O ZINC000049088226 205169475 /nfs/dbraw/zinc/16/94/75/205169475.db2.gz GRXYUGGSZNLVFT-QWRGUYRKSA-N 2 2 351.363 -1.524 1 0 FAAFLP