smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(CSCCNCCC1=[NH+]CCN1)NCCC1=[NH+]CCN1 ZINC000001568356 374241316 /nfs/dbraw/zinc/24/13/16/374241316.db2.gz OLWMHJPVWNEGOW-UHFFFAOYSA-N 2 3 312.487 -0.318 40 0 DBABHP