smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCNc1ccc([NH3+])cc1 20381695 343072413 /nfs/dbraw/zinc/07/24/13/343072413.db2.gz GCRJWXMMJFWXRP-UHFFFAOYSA-N 2 2 179.267 1.242 40 10 ADCBLP