smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000035422067 569692639 /nfs/dbraw/zinc/69/26/39/569692639.db2.gz IIWZSMUWNNLEIZ-UHFFFAOYSA-N 2 1 474.609 1.645 50 30 JDEAMP