smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](O[P@@](=O)([O-])O)[C@H](NC(=O)CCCCCS)C(=O)[O-] ZINC000013543083 560219395 /nfs/dbraw/zinc/21/93/95/560219395.db2.gz PRNNQVAYHYUTOD-APPZFPTMSA-N -2 2 329.311 0.544 1 30 in-vitro ECEFLL C[C@@H](O[P@](=O)([O-])O)[C@H](NC(=O)CCCCCS)C(=O)[O-] ZINC000013543083 560219397 /nfs/dbraw/zinc/21/93/97/560219397.db2.gz PRNNQVAYHYUTOD-APPZFPTMSA-N -2 2 329.311 0.544 1 30 in-vitro ECEFLL