smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(=O)c1cccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1 ZINC000160719512 570372363 /nfs/dbraw/zinc/37/23/63/570372363.db2.gz KJDHTCGXTYZVJF-UHFFFAOYSA-N 0 2 398.260 4.684 50 70 GJIALN