smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCNc1ccc(NCC[NH+](CC)CC)c2c1C(=O)c1cccnc1C2=O ZINC000040465689 563103874 /nfs/dbraw/zinc/10/38/74/563103874.db2.gz VMFVEAAEOCHMCA-UHFFFAOYSA-N 2 0 437.588 3.364 10 10 IGCERP CC[NH+](CC)CCNc1ccc(NCC[NH+](CC)CC)c2c1C(=O)c1ccncc1C2=O ZINC000022040806 563025465 /nfs/dbraw/zinc/02/54/65/563025465.db2.gz RYVCCAAEYHBAFO-UHFFFAOYSA-N 2 0 437.588 3.364 10 10 IGCERP