smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1[N-]C(=S)[S-] 6523258 343015203 /nfs/dbraw/zinc/01/52/03/343015203.db2.gz DMDHNFSEAIONQN-UHFFFAOYSA-N -2 0 183.301 2.842 10 30 AFEERL