smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC/[N+](=C/C=C\c1ccccc1)c1ccc([N+](C)(C)CC)cc1 ZINC000109985303 717147723 /nfs/dbraw/zinc/14/77/23/717147723.db2.gz NKDQVQWKRSFCMP-VFQLDLCJSA-N 2 0 308.469 4.722 10 30 DJEERP