smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name ClCCN1CC[N+]2(CC1)CC[N+]1(CCN(CCCl)CC1)CC2 ZINC000044281293 717129524 /nfs/dbraw/zinc/12/95/24/717129524.db2.gz BDMAKGNCGUREDP-UHFFFAOYSA-N 2 0 351.366 0.742 50 50 FCGARP