smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc[n+](CCC[n+]2ccc(C(N)=O)cc2)c1C=NO ZINC000006068536 170173875 /nfs/dbraw/zinc/17/38/75/170173875.db2.gz PBWHOQYZNBJILR-UHFFFAOYSA-P 2 1 289.339 -0.403 1 30 CBEFMP