smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC(C2CC[NH+](Cc3cc(CN4CCCC4)cs3)CC2)CC1 ZINC000072145840 571173314 /nfs/dbraw/zinc/17/33/14/571173314.db2.gz UPUYYEZANFWOQF-UHFFFAOYSA-N 2 3 361.599 3.898 50 0 FHAAHP