smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCNC(=O)c1cncc(-c2cnc(Nc3cc(N4CC[NH2+]CC4)cc[nH+]3)s2)c1 ZINC000034839922 341977383 /nfs/dbraw/zinc/97/73/83/341977383.db2.gz KUWDNGVTUHQSDP-UHFFFAOYSA-N 3 1 424.534 1.442 1 0 HDAFMP