smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C(=O)C(=CNCC[NH+]2CCN(C(=O)c3ccccc3)CC2)C(=O)N(C)C1=O ZINC000019586804 210272497 /nfs/dbraw/zinc/27/24/97/210272497.db2.gz CRBCNUBCPJRBQF-UHFFFAOYSA-N 1 2 399.451 -0.032 50 10 GBCALO