smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1nnc(NC(=O)CSC2=NC(=O)[C@H](c3ccccc3)C(=O)N2)s1 ZINC000004481362 570377738 /nfs/dbraw/zinc/37/77/38/570377738.db2.gz VKJFBUJCBKUHJZ-UHFFFAOYSA-N -2 2 389.462 1.568 40 0 GDABLL