smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)n1ccnc1-c1ccc([C@H](C)[NH+]2CCCCC2)cc1 ZINC000426705911 566991300 /nfs/dbraw/zinc/99/13/00/566991300.db2.gz VXXFGLIPQNGAGY-INIZCTEOSA-N 2 0 297.446 4.678 50 0 CJAARP