smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)CO ZINC000218743468 353150797 /nfs/dbraw/zinc/15/07/97/353150797.db2.gz WDZOCULMWPOBPQ-NXEZZACHSA-N 0 3 246.307 -1.169 50 70 BAIAHN