smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1n[nH]c(NC(=O)c2cc(C)ccc2O)n1 ZINC000058184045 357382493 /nfs/dbraw/zinc/38/24/93/357382493.db2.gz WXXTVVGUNJONOI-UHFFFAOYSA-N -2 2 276.252 1.242 10 30 CDEELL