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)c1ccc(CNC(=O)CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000193625970 416318751 /nfs/dbraw/zinc/31/87/51/416318751.db2.gz CYMSOPPQNNPIGJ-IYBDPMFKSA-N 2 0 316.449 0.862 10 10 DCCERP