smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CCCOc1ccccc1Cl)C(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000216983883 570310707 /nfs/dbraw/zinc/31/07/07/570310707.db2.gz DSSIGZVFBDZSGF-SFHVURJKSA-N 2 1 379.932 2.784 50 70 GFIAMP CN(CCCOc1ccccc1Cl)C(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000216983883 570310710 /nfs/dbraw/zinc/31/07/10/570310710.db2.gz DSSIGZVFBDZSGF-SFHVURJKSA-N 2 1 379.932 2.784 50 70 GFIAMP