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)=CCC/C(C)=C/C(=O)NCCNCCNCC[NH3+] ZINC000095584996 185012034 /nfs/dbraw/zinc/01/20/34/185012034.db2.gz MWEIVKWJAMLRGV-FYWRMAATSA-N 1 3 296.459 0.933 1 0 CCAFHO