smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCC(=O)NCC(=O)Nc1ccc(NC(=O)CNC(=O)C[NH3+])c2c1C(=O)c1ccccc1C2=O ZINC000026838889 563036692 /nfs/dbraw/zinc/03/66/92/563036692.db2.gz HCKQDKCGOQBZHM-UHFFFAOYSA-N 1 1 466.454 -1.511 1 10 JACFMO N[C@@H](CO)C(=O)NCCNc1ccc(NCCNC(=O)[C@@H]([NH3+])CO)c2c1C(=O)c1ccccc1C2=O ZINC000029131536 563097151 /nfs/dbraw/zinc/09/71/51/563097151.db2.gz KFFSYCAFGFXWNV-HOTGVXAUSA-N 1 1 498.540 -1.843 1 10 JACFMO