smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)Nc1ccc(Nc2ccc([NH2+]C(C)C)cc2)cc1 ZINC000005498921 170104628 /nfs/dbraw/zinc/10/46/28/170104628.db2.gz VDPQCTCYTUTBQU-UHFFFAOYSA-N 1 2 283.419 5.071 40 10 CKCBLO