smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NCCCNCCCNC(N)=[NH2+] ZINC000004684261 181189493 /nfs/dbraw/zinc/18/94/93/181189493.db2.gz NHJDFIHGXUSOKQ-UHFFFAOYSA-N 2 3 215.305 -1.678 40 0 BAABHP